FileName CAS Name RT RI Width Purity Model Min. Abund. Amount Scan Peak Tailing S/N (total) Base Peak Max. Amount Area Intgr.Signal Max. Area Extra Width Models Frac. Good Expec. RT RI-RI(lib) Net Weighted Simple Reverse Corrections (m/z) S/N (m/z) Area % (m/z) Conc. RT-RT(lib) G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.3707 778.0 5.1 scans 95% 77 m/z 0.022% 0.438% 82 2.8 505 2379247 23393711 21325497 0-7 18: 77 45 78 79 62 59 76 75 63 61 47 46 92 58 60 64 80 65 0.996 4.37 24.0 100 100 100 100 77 425.6 71.010 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5124 833.8 22.0 scans 77% 207 m/z 0.53% 0.0617% 445 3.4 118 99748 3298542 3008734 1-2 19: 207 208 191 192 96 147 193 210 135 119 88 165 75 179 115 176 161 194 133 0.912 6.53 -143.0 80 100 92 100 207 87.1 54.116 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6282 862.9 8.9 scans 84% 41 m/z 0.69% 0.123% 634 2.5 212 77187 6573438 6078199 1-3 20: 41 55 69 83 39 42 57 98 70 97 43 81 56 80 54 51 50 68 40 38 0.931 7.71 7.6 98 99 96 98 98 50.6 5.678 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 9.3242 907.0 11.6 scans 55% 57 m/z (48) 1.7% 0.0188% 921 3.0 76 30668 1006038 840500 1-6 8: 57 87 41 56 71 100 72 85 0.924 6.03 -54.6 64 72 77 83 102 1.9 0.000 3.291 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2121 982.2 14.0 scans 63% TIC 0.46% 0.111% 1410 1.8 186 115039 5953620 4327754 2-8 0.835 12.22 35.9 91 95 47 100 281 93.6 25.362 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9152 1000.5 7.8 scans 58% 43 m/z (97) 2.9% 0.0290% 1529 1.4 113 18205 1551231 1406955 1-3 18: 43 56 84 41 57 55 44 69 42 85 39 67 68 95 71 109 80 86 0.931 12.96 -174.3 69 96 92 96 110 8.3 0.532 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2215 1008.8 10.5 scans 90% 81 m/z 0.085% 0.399% 1581 2.1 355 623429 21341301 19693207 1-3 20: 81 110 53 39 41 79 67 68 77 82 65 51 55 95 66 40 50 54 52 109 0.965 13.22 45.2 94 100 98 100 110 92.4 6.789 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1024 ?? p-Cymene 13.7098 1022.0 9.5 scans 19% 134 m/z (99) 7.1% 0.00341% 1664 1.9 32 7511 182313 133631 1-7 4: 134 120 117 94 0.792 13.76 -177.5 68 95 75 94 134 13.3 17.097 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1016 Limonene 13.8922 1027.0 8.1 scans 89% 68 m/z 0.10% 0.533% 1695 1.2 488 500355 28487272 25727327 2-6 20: 68 93 67 79 94 121 92 107 136 91 53 77 39 41 80 81 95 65 51 105 0.970 13.89 51.7 93 100 97 100 136 91.8 3.533 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0935 1032.4 15.5 scans 49% 79 m/z (82) 1.3% 0.0558% 1729 2.0 118 40581 2981276 2721487 2-1 19: 79 108 107 77 51 80 52 75 97 90 61 89 91 39 50 65 63 106 64 0.968 14.11 53.4 89 99 96 99 108 50.9 18.611 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4429 1041.9 9.5 scans 91% TIC 0.029% 0.798% 1788 1.5 542 1830611 42634880 37761921 3-3 0.991 14.44 57.1 91 100 100 100 120 170.8 9.940 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0038 1057.1 11.4 scans 41% 70 m/z (81) 3.1% 0.0253% 1883 1.1 102 16898 1353660 1266117 1-1 20: 70 83 41 55 54 57 69 67 93 42 39 84 58 97 68 53 98 111 79 77 0.789 18.83 4.4 76 78 75 85 122 3.9 0.000 -3.826 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1673 1061.5 >14 scans 65% 105 m/z 0.12% 0.268% 1911 1.4 304 422725 0.433% 14313463 13291095 23124618 3-0 19: 105 77 123 51 46 50 106 78 124 76 75 52 79 49 38 64 62 47 61 0.976 15.17 64.1 89 99 96 99 123 107.2 12.471 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN 98-86-2 ? Acetophenone 15.2558 1063.9 12.5 scans 58% 105 m/z 0.16% 0.198% 1926 1.3 266 333778 0.308% 10584911 10056675 16448920 0-2 19: 105 77 120 94 51 109 66 50 78 106 63 76 65 38 39 110 62 52 89 0.843 15.29 -181.8 78 97 93 97 120 90.2 11.486 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4258 1068.5 9.2 scans 78% 95 m/z (108) 0.17% 0.266% 1954 1.7 304 301622 14234433 12515131 2-4 17: 95 81 43 124 79 53 109 39 41 82 65 96 66 67 52 125 63 0.925 15.43 66.8 86 99 97 100 124 84.8 7.765 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2075 1089.7 8.9 scans 12% 132 m/z (207) 15% 0.00233% 2088 1.2 32 3406 124623 122859 0-1 7: 132 117 115 81 99 131 116 0.536 16.25 -184.9 61 92 64 97 132 16.1 24.825 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1002 ? Undecane 16.6024 1100.6 8.5 scans 44% 57 m/z (104) 2.1% 0.0376% 2154 1.2 124 25383 2010932 1804610 2-2 16: 57 71 41 85 55 58 268 72 59 56 70 251 127 46 98 112 0.724 16.59 0.6 76 81 83 86 156 10.8 0.760 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1016 Nonanal 16.7742 1107.9 8.1 scans 87% 57 m/z (237) 0.18% 0.437% 2183 1.2 420 288208 23372270 20091280 7-4 20: 57 41 56 55 43 44 70 98 69 82 68 95 81 67 96 39 42 71 54 45 0.995 16.82 85.5 81 98 99 99 124 24.5 0.340 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1008 Maltol 16.9595 1115.7 9.5 scans 85% TIC 0.20% 0.295% 2214 1.7 339 263732 15754737 14303599 1-4 0.964 16.96 91.1 83 100 98 100 156 14.5 0.182 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0729 1120.5 13.6 scans 30% 91 m/z (120) 1.3% 0.0248% 2234 1.1 83 39069 1324529 1210493 1-2 10: 91 92 122 65 103 134 89 123 94 85 0.885 17.05 94.5 76 99 92 99 122 28.2 11.693 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0599 1162.2 8.3 scans 77% 73 m/z 0.22% 0.132% 2401 1.6 244 238735 7071376 6475092 4-1 20: 73 267 355 356 268 357 269 251 74 193 339 59 191 358 75 162 253 179 45 323 0.938 18.13 -169.5 80 99 91 99 355 94.7 15.085 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1018 Pyranone 18.2222 1169.1 10.7 scans 80% TIC 0.14% 0.354% 2428 0.8 364 368535 18948841 17470862 1-3 0.955 18.22 125.6 80 100 96 100 144 145.9 16.076 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7039 1189.4 9.0 scans 6.4% 98 m/z 2.3% 0.0118% 2510 1.2 87 23095 633859 564610 1-1 13: 98 111 125 107 112 100 126 95 70 54 80 91 110 0.505 18.71 138.6 69 95 48 92 153 5.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1284 1207.4 9.5 scans 9.1% 81 m/z (96) 0.55% 0.0653% 2582 1.6 152 97079 3492619 3117623 3-2 2: 81 54 0.942 19.12 150.3 73 94 96 99 97 22.8 2.250 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 19.7872 1235.2 >2 scans 14% 69 m/z (79) 0.45% 0.198% 2693 0.0 254 118105 2.65% 10623429 9356022 141524798 1-0 4: 69 140 130 113 0.973 22.03 -73.9 74 88 87 97 175 0.0 0.000 -2.247 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8439 1237.6 10.8 scans 24% 57 m/z (69) 0.080% 0.509% 2703 0.8 398 668385 27200739 22630205 6-5 13: 57 45 75 56 89 72 100 59 71 44 58 61 132 0.743 19.81 170.1 67 98 79 92 144 9.7 0.060 0.030 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1004 Octanoic acid 19.8710 1238.7 >4 scans 77% 60 m/z 0.074% 0.429% 2708 0.6 649 718231 2.07% 22928525 21968679 110549559 0-4 20: 60 69 85 55 73 97 115 43 88 83 82 39 42 70 68 53 84 67 109 40 0.969 19.87 170.4 81 100 100 100 144 7.3 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 20.0316 1245.5 6.3 scans 49% 105 m/z 0.55% 0.0408% 2735 0.7 158 96969 2179892 1949003 2-2 13: 105 122 77 51 50 76 74 78 106 123 52 99 38 0.843 20.03 174.8 75 95 92 95 122 78.4 24.478 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1004 ?? Dodecane 20.3073 1257.2 >8 scans 17% TIC 3.9% 0.00383% 2782 999.0 60 13485 0.00840% 204955 204955 448607 0-0 0.505 20.32 -0.5 60 69 55 82 170 6.3 1.115 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5269 1263.9 9.0 scans 77% TIC 0.59% 0.160% 2819 0.8 258 90774 8556699 7566364 3-4 0.956 20.56 185.2 75 96 95 95 128 4.8 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1034 ? Decanal 20.5275 1263.9 8.4 scans 72% 57 m/z 0.61% 0.137% 2819 0.9 251 86642 7346298 6534675 3-4 20: 57 41 55 70 82 43 71 68 44 56 83 67 112 81 69 96 42 84 39 54 0.947 20.57 -143.1 77 97 94 97 138 13.1 0.272 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1006 Arosol 20.9844 1277.6 9.9 scans 77% 94 m/z 0.033% 0.827% 2896 1.0 559 1577036 44216133 39185350 3-5 20: 94 138 77 95 66 51 65 107 39 45 78 50 63 139 43 55 40 38 64 76 0.944 20.98 192.6 81 100 99 100 152 8.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2825 1286.6 8.1 scans 36% 56 m/z (135) 3.3% 0.0210% 2946 0.8 97 15960 1121508 1031013 3-0 12: 56 57 70 71 55 67 98 126 96 111 72 124 0.843 16.82 -4.8 75 79 80 83 124 7.0 0.521 4.468 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3091 1287.4 8.1 scans 16% 281 m/z 2.1% 0.00837% 2951 1.9 59 25216 447070 397255 3-2 11: 281 282 283 193 249 267 265 251 179 195 191 0.719 12.25 134.3 72 97 63 95 281 43.8 55.925 9.058 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4389 1291.3 7.1 scans 7.3% 147 m/z 4.9% 0.00535% 2973 1.2 53 10888 285704 257031 1-5 12: 147 281 282 207 265 191 148 370 371 249 283 251 0.763 21.56 -147.4 73 97 74 96 369 13.0 5.977 -0.119 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1010 UNK 22.91min 22.9130 1335.5 8.4 scans 80% TIC 0.14% 0.251% 3223 0.8 345 363111 13407881 12110180 3-6 0.934 22.91 221.9 80 100 93 99 127 45.4 1.735 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.5913 1355.9 >21 scans 84% TIC 0.14% 0.723% 3338 0.1 422 367882 38630422 34515768 1-11 0.966 25.35 206.7 77 96 94 99 162 0.0 0.000 -1.763 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.5913 1355.9 >22 scans 84% 60 m/z 0.14% 0.744% 3338 0.1 422 371269 39745190 37363515 0-10 20: 60 73 57 41 55 115 129 43 69 61 98 87 56 45 42 39 101 70 74 84 0.960 22.70 -119.4 76 95 92 99 158 25.6 0.368 0.895 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0884 1371.6 7.2 scans 81% 73 m/z 0.11% 0.246% 3422 1.0 368 451407 13140998 12309514 2-2 20: 73 341 429 147 342 325 343 430 431 74 326 207 327 344 75 45 251 57 191 432 0.950 24.17 -152.2 80 99 87 99 429 94.6 6.610 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6964 1391.9 10.0 scans 55% 43 m/z (71) 0.59% 0.0871% 3525 1.2 178 90193 4654784 4199528 4-2 17: 43 83 55 41 82 58 85 56 142 111 70 39 67 68 93 127 42 0.930 24.70 252.3 75 98 98 99 170 6.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2377 1410.0 7.3 scans 43% TIC 0.67% 0.0104% 3617 1.7 101 79738 0.0136% 557511 538531 726316 1-0 0.906 25.24 -149.9 78 100 94 99 145 35.0 12.025 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1004 Nicotine 25.5612 1420.8 >23 scans 71% 133 m/z 0.012% 9.10% 3672 0.2 1363 4168354 486165497 474758672 0-2 20: 133 161 162 119 42 92 118 130 82 117 78 51 63 77 39 55 105 104 159 106 0.769 25.89 263.8 80 99 83 99 162 443.8 10.603 -0.331 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN GLAU_R~1-N1080 ?? Solanone 25.7962 1428.6 7.5 scans 37% 93 m/z (85) 1.2% 0.0306% 3711 1.0 122 43538 1639272 1520113 3-1 9: 93 121 136 79 194 107 94 108 137 0.924 25.78 273.3 69 93 89 95 194 16.7 1.896 0.019 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 26.3965 1448.7 >8 scans 52% TIC 1.1% 0.0283% 3813 1.7 166 46397 0.0778% 1515657 1477628 4154954 0-1 0.954 29.85 233.6 61 81 74 81 204 24.3 2.145 -3.454 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1049 1472.3 6.5 scans 51% 73 m/z 0.72% 0.0389% 3933 1.0 154 74335 2081996 1897273 2-2 20: 73 221 147 281 222 267 355 223 282 148 283 443 74 356 149 444 268 207 251 191 0.900 27.12 297.4 78 99 88 98 355 26.5 2.978 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1646 1474.3 8.5 scans 59% 57 m/z (73) 0.59% 0.0651% 3943 1.1 168 89826 0.108% 3477703 3208438 5767803 2-0 16: 57 71 85 43 41 56 55 99 127 70 84 42 112 113 100 86 0.966 27.21 -1.5 91 95 94 95 198 18.4 1.203 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1046 UNK Pyridoindol 28.3889 1520.2 8.6 scans 82% 80 m/z 0.078% 0.303% 4150 1.0 373 684532 16232743 15228201 2-2 20: 80 171 104 53 78 91 170 77 172 81 51 65 103 39 105 79 52 63 50 168 0.959 28.39 326.8 80 100 96 100 171 155.5 17.376 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6605 1530.4 7.9 scans 84% 43 m/z (166) 0.074% 0.561% 4197 1.0 490 718297 29962816 25657575 8-6 18: 43 69 41 151 107 136 67 125 93 109 53 39 81 121 68 108 79 91 0.985 28.67 333.0 77 99 99 100 194 28.7 0.342 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0890 1546.5 7.6 scans 76% 71 m/z (73) 0.23% 0.248% 4269 1.0 346 224474 13247509 11945920 2-2 20: 71 57 43 85 41 70 55 56 177 113 141 99 84 112 220 183 69 42 97 127 0.974 29.09 342.8 74 96 97 98 220 36.5 1.112 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1034 Contamination 29.52min 29.5164 1562.5 7.6 scans 80% 73 m/z 0.073% 0.480% 4342 1.0 493 729324 25635724 23819995 3-3 20: 73 281 147 327 282 415 341 283 503 328 221 74 148 399 329 416 325 504 207 342 0.976 29.52 352.4 80 99 95 99 503 71.2 2.091 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5176 1562.6 8.7 scans 84% TIC 0.070% 0.600% 4342 1.5 503 755870 32084306 29050699 2-2 0.977 29.61 -150.5 80 99 96 99 503 72.2 2.058 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6770 1568.6 8.6 scans 91% 177 m/z (151) 0.025% 2.40% 4369 0.6 1042 2098934 128487517 128235501 2-0 20: 177 43 178 91 135 77 105 93 121 107 149 119 133 63 122 95 131 41 192 65 0.996 29.68 356.1 79 99 99 100 192 88.9 0.727 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7697 1572.1 7.6 scans 80% 123 m/z 0.028% 0.623% 4384 0.9 571 1898929 33309440 30621501 1-3 20: 123 43 135 124 107 41 95 91 79 109 55 77 39 69 81 97 67 93 53 125 0.971 29.77 358.1 78 98 96 98 193 43.2 0.575 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5070 1600.4 8.0 scans 80% 191 m/z 0.048% 0.393% 4509 1.0 445 1104427 21004438 20289518 1-1 20: 191 206 57 192 74 163 41 175 91 115 107 73 88 77 207 128 147 161 133 105 0.937 30.50 375.6 80 100 97 100 206 115.7 6.760 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8347 1614.1 10.0 scans 51% 124 m/z (161) 0.42% 0.126% 4565 0.9 217 126043 6755059 6241515 2-5 12: 124 137 55 180 125 54 138 82 59 96 110 181 0.933 30.81 384.7 75 97 94 100 180 51.9 5.753 0.028 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8813 1616.1 8.8 scans 50% 161 m/z (165) 0.44% 0.135% 4573 1.0 239 120434 7210522 6698419 2-2 19: 161 162 147 105 119 204 134 118 132 77 133 104 117 51 189 163 78 115 160 0.846 30.88 0.1 90 93 83 93 204 37.7 2.490 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9427 1618.7 8.5 scans 8.8% 172 m/z (161) 3.5% 0.00714% 4583 1.8 56 14955 381708 363298 2-2 1: 172 0.653 30.93 0.7 81 88 67 96 171 33.7 36.805 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2432 1631.3 10.6 scans 80% 111 m/z 0.042% 1.30% 4634 0.5 700 1270048 69613580 64652392 3-10 20: 111 109 137 43 67 180 110 95 124 152 41 79 81 77 69 39 112 93 91 53 0.946 31.18 396.3 78 99 97 99 180 147.3 4.429 0.065 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5253 1643.2 8.7 scans 69% 43 m/z (157) 0.24% 0.152% 4682 0.8 253 214577 8129104 7565913 2-3 20: 43 98 111 166 55 151 82 41 68 83 127 67 107 123 39 69 59 58 81 71 0.962 31.52 0.5 93 96 95 97 166 51.9 4.190 0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8022 1654.8 8.5 scans 27% 193 m/z (85) 1.2% 0.0307% 4729 1.0 117 42913 1644261 1564503 2-2 4: 193 194 151 175 0.840 31.80 0.3 70 76 62 88 208 19.9 2.903 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9185 1659.7 8.1 scans 46% 83 m/z (143) 0.61% 0.0588% 4749 1.0 165 86867 3143905 2920837 2-2 6: 83 82 55 219 210 211 0.962 31.92 -0.0 62 65 74 72 219 3.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0667 1665.9 6.7 scans 72% 221 m/z 0.12% 0.266% 4774 1.0 392 430806 14223634 13368007 2-2 20: 221 73 147 207 222 295 341 223 355 281 148 74 296 325 267 208 342 356 297 149 0.958 32.08 -0.5 97 96 94 98 355 60.7 2.397 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4362 1681.4 8.3 scans 59% 57 m/z (105) 0.54% 0.103% 4836 1.3 209 99037 5532850 4942461 1-3 17: 57 71 85 56 43 41 197 55 196 113 99 70 127 42 164 111 169 0.956 32.44 -0.3 85 89 93 89 226 6.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6824 1691.8 9.2 scans 79% 205 m/z (190) 0.59% 0.361% 4878 0.9 379 90300 19312598 17808578 3-1 18: 205 43 91 119 105 93 159 79 107 162 77 187 147 131 106 67 145 121 0.959 32.67 0.3 94 95 91 98 220 21.1 0.311 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9315 1702.2 7.7 scans 46% 71 m/z 0.11% 0.123% 4920 0.7 246 457689 6587958 5794259 4-2 11: 71 43 159 111 243 72 155 173 143 89 73 0.886 32.93 -0.1 94 96 94 96 243 36.6 2.205 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3058 1718.0 8.9 scans 55% 57 m/z (106) 0.62% 0.0717% 4984 0.8 177 86047 0.113% 3830204 3510995 6034831 0-10 19: 57 71 43 85 41 56 55 99 70 226 42 98 73 167 72 112 113 140 82 0.956 33.37 -2.8 81 83 91 90 226 17.5 0.971 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8347 1727.4 8.0 scans 8.0% 217 m/z 1.1% 0.0122% 5073 1.1 77 45110 656427 597021 3-1 8: 217 232 218 128 233 189 87 219 0.616 33.83 452.7 68 92 55 92 232 36.1 22.096 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2657 1733.6 8.0 scans 32% 57 m/z (173) 1.1% 0.0338% 5146 1.0 126 46048 1808293 1696861 1-1 18: 57 71 85 98 43 211 41 113 182 70 127 183 114 140 212 196 58 141 0.872 34.27 -0.0 89 97 89 96 211 20.8 2.715 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3619 1734.9 8.2 scans 90% 355 m/z 0.036% 1.18% 5162 1.1 753 1487176 63257799 58037277 2-2 20: 355 221 281 356 401 282 74 402 327 207 415 267 283 403 223 358 75 149 325 133 0.987 34.39 451.9 81 100 98 100 415 82.0 1.184 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8335 1741.7 15.9 scans 89% 91 m/z 0.024% 2.17% 5242 0.2 762 2186994 116145761 111322837 1-1 20: 91 155 199 65 90 184 44 92 120 89 137 63 106 39 77 64 51 156 109 121 0.978 34.79 452.7 80 100 97 100 199 206.5 7.341 0.048 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9026 1742.7 7.9 scans 16% 68 m/z 1.0% 0.0250% 5254 1.2 118 49212 1339073 1204986 1-2 4: 68 69 97 111 0.501 34.90 -0.0 78 84 49 81 224 18.3 2.396 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3483 1749.1 8.6 scans 80% TIC 0.38% 0.196% 5329 1.2 319 140980 0.271% 10508894 10040565 14472913 2-0 0.956 35.35 451.7 79 100 98 99 196 28.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1212 ? Hexadecene 35.5053 1751.3 9.2 scans 10% 55 m/z 3.1% 0.00839% 5356 1.2 78 16813 448498 390727 6-2 20: 55 83 69 70 56 97 57 43 111 68 41 84 82 112 96 98 125 168 42 206 0.473 33.09 42.6 72 81 40 78 224 2.2 0.000 2.420 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1040 3-Hydroxy-5,6-epoxy-?-ionone 35.6972 1754.0 8.6 scans 69% 123 m/z 0.15% 0.226% 5389 1.1 326 350570 12102653 11286988 2-3 19: 123 43 193 209 124 109 105 195 125 77 91 95 79 165 167 175 181 224 210 0.909 35.70 451.3 80 100 92 99 224 36.9 1.280 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9345 1757.4 8.6 scans 52% 91 m/z 0.29% 0.145% 5429 0.9 274 180707 7752207 7320354 1-2 20: 91 155 148 184 159 65 105 92 220 41 44 83 119 199 43 77 133 69 97 79 0.700 35.94 451.0 77 100 71 97 238 6.3 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5184 1765.8 7.5 scans 50% 73 m/z 0.13% 0.293% 5528 1.1 390 399089 15667947 14656594 2-3 20: 73 221 147 207 295 222 281 223 369 341 296 148 74 208 297 282 327 355 370 149 0.862 36.58 449.3 78 99 89 99 369 55.5 2.026 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2002 1775.5 8.0 scans 62% 209 m/z 0.25% 0.121% 5643 0.9 245 208747 6478583 6096676 2-2 19: 209 224 181 165 210 167 105 178 166 179 103 77 225 194 115 152 193 119 89 0.901 37.20 449.2 80 100 91 100 224 76.2 9.688 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1016 ?? Octadecane 37.3059 1777.1 9.8 scans 37% 43 m/z (133) 2.5% 0.0345% 5661 1.4 112 21236 1847389 1646600 1-5 20: 43 85 84 96 125 99 225 140 69 224 169 97 86 56 126 124 72 53 187 210 0.899 38.91 -22.9 67 72 88 76 254 0.0 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 37.4942 1779.7 >19 scans 7.3% 70 m/z (211) 7.7% 0.00810% 5693 0.6 44 6923 432599 384833 2-0 6: 70 72 197 168 112 98 0.235 33.90 51.4 62 95 23 88 197 12.3 0.000 3.598 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0526 1787.7 8.1 scans 53% 57 m/z (137) 0.89% 0.0555% 5788 1.0 158 60087 2965866 2684969 4-2 16: 57 71 85 43 56 99 41 55 113 224 225 83 127 141 155 87 0.928 38.06 448.0 73 97 95 98 225 25.0 2.517 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5733 1795.2 9.4 scans 90% 73 m/z 0.049% 0.867% 5876 1.2 598 1082562 46308867 43942419 2-2 20: 73 147 429 221 355 281 430 341 207 431 356 74 222 357 267 295 342 401 223 325 0.984 38.59 447.1 80 99 98 99 429 154.2 6.646 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.7599 1905.4 7.5 scans 93% 68 m/z 0.11% 0.796% 6077 1.0 653 482172 42519236 41088557 2-1 20: 68 95 82 57 69 123 55 43 81 83 67 41 97 71 96 109 124 111 56 79 0.993 39.94 536.3 79 98 98 98 278 29.5 0.204 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1032 Hexahydrofarnesyl acetone 39.8850 1920.9 7.9 scans 84% 43 m/z 0.26% 0.236% 6098 1.0 355 200885 12618028 12030040 2-2 20: 43 58 71 59 57 55 85 69 109 41 95 110 124 83 70 56 81 123 82 97 0.975 39.88 552.6 80 100 98 99 250 31.8 0.804 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1034 Phthalic acid, diisobutyl ester 40.3047 1972.9 7.8 scans 68% 149 m/z 0.12% 0.113% 6169 1.0 240 424959 6038693 5475286 6-3 20: 149 57 150 223 104 41 76 56 65 132 105 93 205 121 167 50 39 224 122 77 0.932 40.31 598.0 80 100 96 100 223 48.9 4.165 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6017 2009.7 7.6 scans 81% 73 m/z 0.25% 0.163% 6219 1.0 289 213151 8733663 8315257 1-3 20: 73 221 147 295 207 281 222 223 296 148 282 74 355 297 369 208 283 370 341 401 0.955 40.63 629.6 76 94 96 100 369 41.9 2.106 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN N406_R~1-N1110 ? Phytol 40.8425 2039.6 8.1 scans 26% 95 m/z (99) 3.7% 0.0175% 6260 1.7 83 14383 935178 854240 3-2 13: 95 81 82 68 123 96 67 79 278 109 124 65 193 0.842 40.66 22.4 71 79 56 77 278 12.8 2.367 0.181 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1254 Phytol 40.8425 2039.6 8.1 scans 35% 95 m/z (184) 3.7% 0.0234% 6260 1.7 96 14123 1250041 1141852 3-2 13: 95 81 82 68 123 96 67 79 278 109 124 65 193 0.901 40.87 -3.1 84 91 80 89 278 12.7 1.766 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BQLD_R~1-N1056 ?? Homosalate 40.9901 2057.9 8.1 scans 15% 138 m/z 3.0% 0.00858% 6285 1.0 67 17360 458702 440395 2-1 8: 138 109 120 121 124 262 355 246 0.462 41.00 672.1 69 98 51 95 262 11.5 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2404 2088.9 8.3 scans 85% TIC 0.17% 0.407% 6328 1.1 449 307500 21739827 20059018 2-1 0.950 41.26 -2.1 98 99 94 99 264 28.6 0.407 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4659 2116.9 9.2 scans 90% TIC 0.14% 0.875% 6366 0.5 622 381553 46778595 44839273 2-1 0.970 41.49 -79.7 86 100 97 100 276 38.1 0.376 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0108 2148.6 8.1 scans 94% 74 m/z 0.019% 2.00% 6458 0.7 993 2758742 106982762 101136132 2-2 20: 74 87 43 55 143 75 41 227 69 57 270 83 129 59 97 239 101 185 88 171 0.995 42.01 746.6 81 100 99 100 272 21.8 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3343 2166.8 7.8 scans 86% 73 m/z 0.12% 0.288% 6513 1.0 375 433231 15386679 14493844 2-3 20: 73 147 281 221 355 207 429 341 503 282 74 148 222 356 283 430 504 295 415 357 0.966 42.37 757.8 76 94 96 100 503 52.3 1.939 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2859 2220.2 9.6 scans 64% 263 m/z (153) 0.63% 0.0811% 6674 1.4 163 83983 4331722 3792829 2-3 18: 263 278 57 264 131 128 147 219 124 161 279 91 203 115 143 129 127 141 0.857 43.31 -1.2 83 86 68 86 278 41.1 6.347 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN HCMIX_~1-N1020 ? Icosane 43.8461 2251.7 8.3 scans 39% 71 m/z (121) 3.2% 0.0166% 6769 1.2 85 16415 889399 802321 1-2 17: 71 57 85 43 267 127 113 99 41 70 126 141 72 84 239 54 169 0.870 43.94 -5.0 71 89 84 85 282 4.2 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7889 2363.3 7.7 scans 79% 73 m/z 0.30% 0.116% 7098 1.1 240 175207 6248417 5603830 3-1 20: 73 147 355 221 281 356 357 222 429 341 148 74 401 283 295 207 267 223 399 358 0.920 45.78 0.7 98 99 89 98 503 19.3 0.649 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1026 Methyl stearate 45.9205 2370.9 7.9 scans 88% 74 m/z 0.048% 0.857% 7120 1.1 632 1098179 45803917 42776518 2-4 20: 74 87 43 75 143 55 255 57 41 69 298 83 199 97 129 101 71 59 88 56 0.982 45.92 892.2 80 100 98 100 298 92.1 2.121 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1065 2381.6 8.2 scans 84% 79 m/z (213) 0.12% 0.660% 7152 1.1 541 441213 35254771 32539310 2-5 20: 79 67 95 93 80 108 81 55 91 41 94 107 77 121 135 69 78 109 59 149 0.982 46.13 -1.6 93 95 95 98 292 35.8 0.438 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7612 2419.3 8.2 scans 77% TIC 0.39% 0.0985% 7263 1.2 219 137046 5262783 4777972 3-3 0.920 46.76 924.2 79 100 93 99 298 35.0 2.555 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6992 2473.3 7.4 scans 50% 221 m/z (341) 2.8% 0.0150% 7422 0.9 87 18664 803763 737529 3-5 20: 221 73 147 295 281 222 207 296 282 267 148 283 208 369 223 371 149 297 117 209 0.752 44.32 1026.0 69 94 89 97 369 17.1 3.908 3.379 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9360 2544.5 8.2 scans 79% 73 m/z 0.54% 0.0700% 7631 1.1 180 97872 3742069 3519571 2-4 20: 73 147 221 355 429 207 356 430 222 357 148 281 295 282 74 341 149 223 267 369 0.913 48.95 994.1 74 93 94 99 429 43.2 5.741 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3575 2626.2 8.0 scans 80% 74 m/z 0.53% 0.0821% 7872 1.3 195 100956 4387003 4062614 2-5 20: 74 87 43 75 143 55 57 326 41 69 283 327 83 97 71 59 81 129 88 98 0.883 50.36 1039.2 78 100 89 98 326 34.8 3.184 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8575 2712.5 7.9 scans 68% 73 m/z 1.3% 0.0258% 8126 1.1 111 39639 1380448 1266203 3-4 20: 73 147 221 355 429 281 207 356 282 222 148 431 503 297 430 504 149 339 415 325 0.818 51.86 1081.6 78 100 83 98 503 15.4 1.903 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6380 2872.5 9.3 scans 43% TIC 5.3% 0.00485% 8597 1.0 52 10010 259340 228308 5-1 0.674 45.81 1396.0 69 94 65 91 503 7.4 2.041 8.826 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.3925 778.6 6.5 scans 93% 77 m/z 0.025% 0.368% 86 3.4 412 1835916 21587717 19555812 1-4 19: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 58 133 80 48 49 0.991 4.37 24.6 100 100 99 100 77 351.9 72.894 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5230 834.1 22.8 scans 76% 207 m/z 0.48% 0.0538% 446 2.6 108 98021 3154989 2783640 2-2 18: 207 209 96 191 208 177 210 178 147 59 75 189 103 82 81 117 105 45 0.909 6.53 -142.7 80 100 90 99 207 81.3 56.179 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6293 862.9 8.6 scans 79% 69 m/z 1.2% 0.0588% 634 2.3 148 38110 3444459 3110265 1-4 19: 69 55 41 83 39 42 98 57 70 97 53 43 68 56 80 79 54 51 50 0.909 7.71 7.6 97 97 93 97 98 41.0 7.661 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 9.3182 906.9 9.2 scans 37% 57 m/z (77) 2.6% 0.00610% 920 3.5 47 17884 357407 324976 1-1 5: 57 87 56 72 134 0.701 6.03 -54.7 63 77 73 83 102 1.8 0.000 3.285 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2108 982.2 13.0 scans 58% 43 m/z (97) 0.54% 0.0888% 1411 2.4 151 86506 5202681 4769413 2-1 16: 43 282 283 99 249 71 193 108 265 191 267 165 207 284 205 208 0.874 12.22 35.9 88 93 52 100 281 76.4 25.446 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9122 1000.4 7.2 scans 31% TIC 6.4% 0.00385% 1529 1.5 59 7301 225621 206940 1-1 0.667 12.96 -174.4 64 88 63 86 110 3.3 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2185 1008.7 9.7 scans 85% 81 m/z 0.13% 0.179% 1581 1.9 244 354114 10539593 9407654 2-3 19: 81 110 53 39 79 41 67 68 65 77 82 51 54 66 55 40 50 109 52 0.957 13.22 45.1 94 100 96 99 110 67.3 7.610 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1016 Limonene 13.8915 1027.0 8.2 scans 87% 68 m/z 0.19% 0.236% 1695 1.2 319 236815 13878841 12416121 2-6 20: 68 93 67 79 94 121 136 92 107 91 53 77 39 41 80 81 95 65 105 55 0.961 13.89 51.7 92 100 96 100 136 64.0 4.022 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0999 1032.6 16.2 scans 56% 108 m/z (83) 1.5% 0.0380% 1730 1.6 97 29742 2227205 2145441 1-1 15: 108 140 90 51 65 89 97 78 50 74 41 72 106 42 109 0.964 14.11 53.6 89 99 97 99 108 43.2 19.838 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4370 1041.7 9.4 scans 92% TIC 0.040% 0.463% 1787 1.7 405 1179700 27116792 24687973 6-1 0.995 14.44 56.9 91 100 99 100 120 132.3 10.654 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0025 1057.1 >12 scans 23% 97 m/z (82) 5.0% 0.0102% 1883 1.5 63 9286 601379 601379 0-0 18: 97 70 98 93 67 68 69 39 57 72 111 80 92 79 110 58 84 65 0.910 18.83 4.4 70 72 70 79 122 1.9 0.000 -3.827 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1002 ? IS d3-Acetophenone 15.1643 1061.5 9.7 scans 22% TIC 0.31% 0.0421% 1910 0.8 141 151352 2468395 2244836 5-0 0.303 15.17 64.1 72 98 45 96 123 76.2 29.085 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1064 Benzoic acid 15.1985 1062.4 11.4 scans 9.0% 122 m/z (105 71) 2.2% 0.0119% 1916 1.7 61 20734 697615 684693 1-1 1: 122 0.564 20.03 -8.3 80 90 68 91 122 28.4 21.359 -4.830 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN 98-86-2 ? Acetophenone 15.2552 1063.9 9.6 scans 71% 105 m/z 0.14% 0.156% 1926 1.3 255 333914 9146116 8416658 0-3 20: 105 77 120 51 50 106 43 78 121 76 62 39 63 75 91 65 52 86 89 110 0.907 15.29 -181.8 79 99 97 99 120 90.3 12.492 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4217 1068.4 9.0 scans 69% 95 m/z 0.21% 0.125% 1954 1.6 222 218058 7354635 6865470 1-4 18: 95 81 124 43 79 53 109 39 41 82 65 96 66 67 51 125 54 50 0.861 15.43 66.7 87 99 87 99 124 69.1 9.675 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN HCMIX_~1-N1002 ?? Undecane 16.6017 1100.6 8.8 scans 21% 71 m/z 3.7% 0.00941% 2153 1.3 68 12486 551546 502652 2-1 16: 71 57 58 55 41 59 72 98 70 121 84 83 46 112 97 270 0.642 16.59 0.6 69 81 63 80 156 6.9 1.031 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1016 Nonanal 16.7694 1107.7 8.6 scans 79% TIC 0.46% 0.133% 2182 0.9 231 102669 0.144% 7804033 6996768 8433079 0-3 0.917 16.82 85.3 81 97 89 97 124 14.3 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1008 Maltol 16.9589 1115.7 9.4 scans 83% TIC 0.19% 0.208% 2214 1.7 282 237241 12218459 10987913 1-5 0.947 16.96 91.1 82 100 96 99 156 12.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0651 1120.2 14.6 scans 26% 92 m/z (126) 1.6% 0.0166% 2232 1.5 64 28717 974207 875558 7-1 4: 92 122 91 63 0.805 17.05 94.2 74 98 86 97 122 22.8 12.797 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0628 1162.3 9.1 scans 73% 73 m/z 0.36% 0.0841% 2401 1.6 186 130962 4930667 4720378 1-1 19: 73 267 355 356 268 357 251 74 358 269 191 339 154 237 323 252 253 249 179 0.887 18.13 -169.4 79 99 89 99 355 79.0 18.110 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.0628 1162.3 9.1 scans 69% 73 m/z (270 162) 0.34% 0.0822% 2401 1.6 180 138129 4819189 4613654 1-1 19: 73 267 355 356 268 357 251 74 358 269 191 339 154 237 323 252 253 249 179 0.930 18.09 120.7 73 97 91 98 355 77.5 18.471 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN M4942-N1002 Pyranone 18.2304 1169.4 11.0 scans 84% 144 m/z 0.13% 0.394% 2430 0.5 368 360972 23085914 21102722 2-3 20: 144 43 101 44 72 73 55 45 115 42 145 58 56 71 53 102 39 69 85 74 0.971 20.04 -221.1 80 99 97 99 144 151.7 17.036 -1.812 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6980 1189.2 9.5 scans 9.4% 98 m/z (45) 3.3% 0.0235% 2510 1.3 94 14197 1381562 1254308 1-2 16: 98 111 80 107 125 95 100 126 112 67 81 79 65 91 99 135 0.893 18.71 138.4 70 95 88 98 153 3.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1230 1207.1 9.6 scans 5.0% 81 m/z (66) 0.94% 0.0272% 2581 2.2 97 49963 1593426 1465431 2-1 3: 81 54 95 0.802 19.12 150.0 73 100 90 99 97 18.0 3.476 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 19.7287 1232.7 >21 scans 90% 85 m/z 0.097% 1.33% 2684 0.1 532 486542 78150878 74921828 0-2 20: 85 69 73 97 115 101 87 88 83 45 98 108 42 70 84 111 61 67 68 71 0.993 22.03 -76.4 79 90 92 99 175 0.0 0.000 -2.305 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 19.7287 1232.7 >21 scans 61% 85 m/z (57) 0.12% 0.985% 2684 0.1 441 383351 57689801 55306165 0-2 20: 85 69 73 97 115 101 87 88 83 45 98 108 42 70 84 111 61 67 68 71 0.965 19.87 164.4 71 94 83 94 144 0.0 0.000 -0.142 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8367 1237.3 8.2 scans 69% 57 m/z 0.31% 0.0846% 2702 1.3 198 149550 4957952 4545930 1-3 16: 57 45 41 75 87 56 89 72 100 59 101 44 58 132 71 62 0.921 19.81 169.8 77 97 91 98 144 0.0 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1034 ? Decanal 20.5239 1263.8 8.3 scans 72% 57 m/z (88) 1.2% 0.0609% 2819 0.9 158 37075 3569116 3242531 3-3 18: 57 41 82 55 70 71 68 56 44 83 112 67 69 96 84 42 81 54 0.975 20.57 -143.2 75 98 97 98 138 8.4 0.285 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5239 1263.8 8.3 scans 63% 57 m/z 1.2% 0.0480% 2819 0.9 148 36945 2815804 2558149 3-3 18: 57 41 82 55 70 71 68 56 44 83 112 67 69 96 84 42 81 54 0.872 20.56 185.1 77 99 85 98 128 14.4 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1006 Arosol 20.9755 1277.4 9.8 scans 80% 94 m/z 0.039% 0.549% 2895 1.0 453 1194722 32181399 28717752 3-4 20: 94 138 77 95 66 51 65 107 39 45 79 78 50 139 63 55 40 38 74 64 0.963 20.98 192.4 80 100 98 100 152 7.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3013 1287.2 10.6 scans 7.5% 281 m/z 1.9% 0.00821% 2950 1.9 51 24849 481124 426599 4-3 13: 281 282 283 249 193 251 267 209 191 284 179 194 266 0.657 12.25 134.1 73 97 59 96 281 40.9 63.946 9.050 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 22.5157 1323.6 9.0 scans 11% 43 m/z 2.5% 0.00788% 3155 0.9 61 18361 461846 393904 4-3 20: 43 70 83 41 57 40 98 63 69 56 81 97 125 110 53 84 111 93 82 54 0.344 16.82 32.2 61 75 29 71 124 2.4 0.000 5.701 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9094 1335.4 8.0 scans 76% 43 m/z 0.22% 0.131% 3222 0.9 250 206124 7683428 6994174 5-7 19: 43 69 109 86 71 41 110 127 128 67 70 95 39 55 85 56 58 42 59 0.925 22.91 221.8 79 99 92 98 127 35.0 1.955 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.5895 1355.8 >20 scans 88% 73 m/z 0.12% 0.705% 3338 0.1 405 371669 41334710 37629369 1-9 20: 73 60 57 129 115 41 43 55 69 98 61 87 45 83 42 39 56 101 74 70 0.978 25.35 206.6 77 95 95 99 162 0.0 0.000 -1.765 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0883 1371.6 7.3 scans 79% 73 m/z 0.15% 0.174% 3422 1.0 303 309001 10231982 9621391 2-2 20: 73 341 429 342 325 147 343 430 431 326 207 327 344 251 148 432 75 191 45 311 0.912 24.17 -152.2 80 100 90 99 429 89.8 8.809 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6952 1391.8 11.8 scans 61% 43 m/z (71) 0.87% 0.0651% 3525 0.6 140 53889 3814249 3575642 2-1 20: 43 83 82 142 69 41 55 56 58 113 85 111 39 70 67 109 93 68 100 53 0.899 24.70 252.2 71 92 91 98 170 5.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2270 1409.6 7.8 scans 24% 43 m/z (94) 2.3% 0.00616% 3615 1.4 52 20500 361093 345160 1-2 11: 43 103 145 116 153 86 71 119 115 179 61 0.736 25.24 -150.3 68 92 83 98 145 17.8 11.799 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5399 1420.0 23.7 scans 94% 84 m/z 0.0067% 9.18% 3668 0.3 1333 6977309 538048038 506176403 0-4 20: 84 162 161 119 92 118 130 82 117 65 78 51 91 39 63 55 77 105 106 41 1.000 25.89 263.0 79 98 97 98 162 367.2 7.591 -0.352 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7141 1425.9 8.7 scans 21% 159 m/z (157) 2.4% 0.0107% 3698 1.0 66 19129 632006 558332 2-4 12: 159 89 160 131 74 73 129 144 103 147 75 145 0.681 42.45 15.3 64 70 51 73 272 0.0 0.000 -16.732 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN GLAU_R~1-N1080 ?? Solanone 25.7997 1428.7 7.3 scans 36% 121 m/z (100) 1.6% 0.0173% 3712 0.7 94 28484 1018128 995662 6-0 15: 121 43 184 194 91 156 137 77 107 95 150 127 179 192 125 0.865 25.78 273.4 66 91 84 96 194 14.0 2.217 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1040 ?? Nonanoic acid 26.0399 1436.7 8.8 scans 28% 73 m/z (172) 1.8% 0.0204% 3752 0.6 89 25310 1199085 1097077 3-2 10: 73 60 129 115 87 61 160 143 116 101 0.791 22.70 -38.6 63 70 71 83 158 2.5 0.000 3.344 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1031 1472.3 6.8 scans 50% 221 m/z 1.0% 0.0243% 3933 1.0 117 44946 1427650 1346251 1-2 17: 221 73 147 281 222 267 355 223 148 443 283 444 356 268 269 282 357 0.866 27.12 297.4 77 98 83 97 355 23.3 3.935 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1651 1474.3 8.7 scans 51% 57 m/z (163) 0.99% 0.0314% 3943 1.0 114 47668 0.0537% 1842389 1738797 3144836 2-0 16: 57 71 85 43 41 198 99 56 84 70 98 42 126 112 142 86 0.944 27.21 -1.5 91 96 92 95 198 13.4 1.386 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1032 ? Myosmine 28.0122 1506.0 11.0 scans 46% 118 m/z (165) 0.41% 0.0738% 4087 1.4 154 112985 4327481 3987055 2-4 15: 118 146 145 78 104 63 42 64 89 38 62 40 37 90 102 0.746 27.93 319.3 74 99 75 97 146 75.3 23.775 0.081 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3847 1520.0 8.5 scans 77% 80 m/z 0.13% 0.143% 4150 1.0 253 354953 8380635 7893963 2-3 20: 80 171 104 53 78 170 91 172 77 81 51 65 103 39 105 79 167 52 168 63 0.932 28.39 326.6 79 99 93 99 171 112.0 19.614 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6574 1530.3 8.0 scans 85% 43 m/z (166) 0.093% 0.379% 4196 1.1 401 505309 22196538 19592032 6-5 18: 43 69 41 151 107 136 67 125 93 109 83 53 39 81 121 68 108 79 0.985 28.67 332.9 77 99 99 100 194 25.5 0.402 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0872 1546.4 7.9 scans 56% 71 m/z 0.37% 0.0933% 4269 1.1 220 127220 5465994 5167904 2-1 19: 71 57 43 85 41 177 70 141 55 113 56 99 112 84 135 149 183 207 97 0.766 29.10 342.5 70 96 87 93 227 0.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5187 1562.6 7.7 scans 76% 73 m/z 0.12% 0.257% 4342 0.9 356 369360 15094442 14444309 2-3 20: 73 281 147 327 282 415 341 503 283 399 221 328 504 148 74 416 329 505 417 342 0.972 29.61 -150.5 79 99 95 99 503 60.1 2.851 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6663 1568.2 8.5 scans 85% 177 m/z (60) 0.029% 1.32% 4367 0.7 754 1596989 77508198 72936349 2-1 20: 177 43 178 91 135 159 77 105 79 93 121 107 149 133 122 95 119 41 192 109 0.993 29.68 355.7 77 98 98 99 192 73.2 0.943 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7643 1571.9 7.8 scans 78% 123 m/z 0.032% 0.428% 4383 1.0 460 1462712 25120197 23666188 1-3 20: 123 43 135 124 107 95 41 79 91 109 55 77 39 69 81 97 67 93 53 105 0.958 29.77 357.9 78 98 94 98 193 37.0 0.649 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5105 1600.5 8.0 scans 77% 191 m/z 0.048% 0.300% 4510 0.9 382 972101 17606919 16147020 2-3 20: 191 206 192 57 163 74 175 41 91 115 107 207 88 73 77 147 128 161 105 117 0.956 30.50 375.7 80 99 95 99 206 102.1 7.158 0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8399 1614.4 >9 scans 56% TIC 0.38% 0.0565% 4566 0.0 209 123439 0.164% 3313073 3164490 9604340 1-0 0.949 30.81 385.0 76 95 93 96 180 50.5 5.869 0.033 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8795 1616.0 16.8 scans 62% TIC 0.36% 0.122% 4572 1.1 239 128819 0.180% 7170925 6947132 10541348 0-1 0.830 30.88 0.0 94 95 86 95 204 34.4 2.069 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9367 1618.4 8.2 scans 2.5% 172 m/z (159) 6.0% 0.00145% 4583 1.3 24 7860 85426 72613 2-3 1: 172 0.313 30.93 0.4 64 94 32 91 171 20.0 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2337 1630.9 10.7 scans 81% 111 m/z 0.050% 0.886% 4632 0.6 566 945877 51894309 47870734 3-10 20: 111 109 137 43 180 67 110 124 95 152 41 79 39 81 77 69 112 93 53 65 0.949 31.18 395.9 78 99 97 99 180 124.7 4.848 0.056 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5147 1642.7 8.9 scans 55% 43 m/z (164) 0.53% 0.0622% 4680 0.9 157 88665 3645311 3279331 2-3 18: 43 111 98 166 151 55 167 82 127 68 182 41 58 67 123 169 39 59 0.932 31.52 0.0 88 91 89 94 166 34.1 4.709 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7998 1654.7 8.6 scans 26% 193 m/z (85) 1.5% 0.0227% 4729 0.8 96 30269 1333320 1206662 2-2 9: 193 208 194 136 161 119 179 80 175 0.790 31.80 0.2 67 74 52 88 208 15.8 2.675 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9214 1659.8 7.9 scans 41% 83 m/z (177) 0.77% 0.0361% 4749 0.8 129 61377 2119400 1998902 3-1 4: 83 82 55 210 0.783 31.92 0.1 61 73 67 76 219 7.1 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0796 1666.4 6.6 scans 52% 221 m/z 0.39% 0.0579% 4776 1.0 181 120528 3391883 3129815 2-5 20: 221 73 147 222 207 295 341 355 223 281 296 325 148 356 343 74 342 224 297 208 0.902 32.08 0.0 96 97 87 97 355 31.6 3.067 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4362 1681.4 7.9 scans 57% 57 m/z (105) 0.62% 0.0741% 4836 1.2 176 75768 4344793 3793922 1-4 17: 57 85 71 56 43 41 197 55 196 113 99 70 160 42 141 168 159 0.947 32.44 -0.3 94 98 97 97 226 6.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6776 1691.6 9.0 scans 78% 205 m/z (143) 0.67% 0.271% 4877 0.8 321 70223 15881309 14200297 4-2 18: 205 91 119 43 105 93 159 79 107 162 106 147 187 77 131 145 121 67 0.945 32.67 0.1 93 95 89 98 220 20.4 0.405 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8553 1699.0 9.2 scans 24% 97 m/z (149) 1.4% 0.0489% 4907 1.3 128 33570 0.0539% 2868571 2549604 3156548 4-0 9: 97 55 96 201 224 216 202 161 187 0.625 32.87 -0.5 64 79 56 78 186 3.6 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9297 1702.2 7.5 scans 46% 71 m/z 0.14% 0.0843% 4920 0.7 201 337569 4939135 4429109 4-2 11: 71 43 159 243 155 72 173 143 89 73 244 0.935 32.93 -0.1 95 95 94 95 243 32.9 2.674 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3028 1717.8 8.3 scans 55% 57 m/z (105) 0.74% 0.0520% 4983 1.0 154 63491 0.0796% 3046763 2887228 4661619 0-3 20: 57 71 43 85 41 56 55 164 99 70 226 112 98 113 42 140 154 72 126 69 0.933 33.37 -3.0 88 91 95 96 226 17.1 1.219 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8323 1727.4 8.2 scans 12% 217 m/z (105) 1.1% 0.0147% 5073 1.0 81 39937 865080 786116 2-1 8: 217 232 218 233 189 201 142 219 0.826 33.83 452.7 67 90 62 95 232 33.1 16.722 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2656 1733.6 10.4 scans 24% TIC 1.1% 0.0107% 5146 0.9 100 40823 630840 572102 1-1 0.610 34.27 -0.0 87 95 72 92 211 19.1 3.641 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3724 1735.1 7.8 scans 90% 73 m/z 0.054% 0.669% 5164 1.0 569 862328 39180893 37049027 2-2 20: 73 355 147 221 281 356 357 401 282 222 415 74 327 207 267 148 283 223 75 325 0.981 34.39 452.1 80 100 98 100 415 66.5 1.370 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8376 1741.7 16.1 scans 90% 91 m/z 0.025% 1.76% 5243 0.3 675 1880158 103230804 99465901 1-1 20: 91 155 199 90 65 184 92 44 120 137 106 39 77 64 156 51 134 185 107 109 0.984 34.79 452.7 80 99 97 99 199 192.7 8.152 0.052 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9008 1742.7 7.6 scans 39% 68 m/z (91) 1.1% 0.0560% 5253 1.4 153 41035 3284970 2721187 6-6 3: 68 97 224 0.728 34.90 -0.0 78 84 80 97 224 18.1 1.408 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3494 1749.1 8.8 scans 77% TIC 0.45% 0.132% 5330 1.0 262 103160 0.199% 7747860 7414739 11654046 2-0 0.937 35.35 451.7 78 100 96 99 196 27.4 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6989 1754.1 8.9 scans 66% 123 m/z 0.14% 0.187% 5389 0.9 289 322693 11001345 10096482 2-3 20: 123 43 193 209 124 109 105 195 125 165 77 167 79 91 224 95 181 210 175 194 0.879 35.70 451.4 78 99 87 98 224 36.4 1.593 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9356 1757.5 9.0 scans 15% TIC 0.85% 0.0328% 5429 1.0 132 55538 1926233 1831892 1-1 0.206 35.94 451.1 62 92 19 85 238 7.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5378 1766.1 7.4 scans 17% 221 m/z 0.68% 0.0439% 5531 1.1 150 68727 2574888 2381443 2-5 18: 221 73 207 147 222 295 281 223 369 341 208 296 282 148 327 370 297 355 0.605 36.58 449.6 73 97 75 96 369 24.4 2.634 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1989 1775.5 8.3 scans 63% 209 m/z 0.21% 0.114% 5643 1.0 232 223973 6702324 6325491 2-1 20: 209 224 181 210 165 167 178 105 166 179 194 103 225 77 91 115 152 191 193 119 0.895 37.20 449.2 79 99 89 99 224 75.1 10.447 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN HCMIX_~1-N1016 ?? Octadecane 37.3105 1777.1 10.2 scans 33% 85 m/z (216) 2.5% 0.0267% 5662 1.3 98 18513 1565120 1481845 1-3 16: 85 43 57 71 210 211 84 96 55 225 41 99 56 113 224 127 0.847 38.91 -22.9 68 78 86 80 254 0.0 0.000 -1.599 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 7.7 scans 41% 57 m/z 0.79% 0.0295% 5788 1.0 134 59614 1733083 1601645 4-1 19: 57 71 85 43 56 41 225 99 55 224 113 87 127 69 86 141 83 98 70 0.768 38.06 448.1 72 95 78 93 225 27.3 4.174 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5874 1795.4 7.8 scans 89% 73 m/z 0.058% 0.560% 5878 1.0 523 804449 32823441 31647187 1-1 20: 73 147 221 355 281 341 431 207 356 401 222 74 357 148 342 295 267 325 223 432 0.975 38.59 447.3 80 100 97 99 429 148.1 8.010 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4428 1866.1 7.6 scans 67% 74 m/z 0.27% 0.0963% 6023 1.0 225 173188 5644750 5338719 2-2 18: 74 87 43 55 143 75 41 213 256 69 59 129 225 83 88 157 228 185 0.893 39.45 504.6 69 94 83 93 256 34.3 2.317 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.7669 1906.2 7.7 scans 92% 68 m/z 0.076% 0.986% 6078 0.8 707 615148 57749801 53333382 2-2 20: 68 95 82 123 69 57 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.995 39.94 537.1 80 99 99 99 278 36.7 0.270 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8844 1920.8 7.7 scans 82% 58 m/z 0.25% 0.203% 6098 0.9 328 186056 11906985 11082899 2-2 20: 58 43 71 59 57 85 55 109 95 69 41 110 83 124 81 70 123 56 82 96 0.968 39.88 552.5 79 99 97 99 250 34.0 1.074 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3088 1973.4 8.3 scans 63% TIC 0.11% 0.0870% 6170 0.8 210 403365 0.0979% 5097290 4384406 5733322 2-3 0.891 40.31 598.5 79 99 89 99 223 48.4 5.326 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6128 2011.1 6.7 scans 43% 221 m/z 1.2% 0.0198% 6221 1.1 108 36561 1164594 1069723 1-3 20: 221 73 147 295 207 281 222 369 208 223 296 282 148 371 355 415 279 74 370 297 0.822 40.63 631.0 74 98 82 98 369 18.5 2.964 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1254 ? Phytol 40.8472 2040.2 7.8 scans 32% 81 m/z (108) 2.6% 0.0221% 6261 1.2 95 17755 1295793 1132717 2-3 10: 81 95 123 79 124 278 109 53 137 165 0.861 40.87 -2.5 79 85 67 84 278 15.3 2.585 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN N406_R~1-N1110 ? Phytol 40.8472 2040.2 7.8 scans 28% 81 m/z (150) 2.7% 0.0196% 6261 1.2 90 17528 1150914 1006071 2-3 10: 81 95 123 79 124 278 109 53 137 165 0.852 40.66 23.0 76 83 60 81 278 15.6 3.033 0.185 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1212 ?? Hexadecene 40.9068 2047.6 10.5 scans 43% 83 m/z (81) 2.0% 0.0315% 6271 1.3 125 22880 0.0979% 1845291 1845291 5733322 0-0 19: 83 97 55 69 57 43 70 56 41 111 84 98 112 68 82 71 42 125 54 0.938 33.09 338.9 69 94 94 95 224 5.7 0.000 7.822 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BQLD_R~1-N1056 ? Homosalate 40.9900 2057.9 8.4 scans 27% 138 m/z (253) 2.4% 0.0181% 6285 0.9 90 19600 1062774 1001016 2-2 12: 138 120 109 121 124 65 262 93 39 64 133 148 0.786 41.00 672.1 72 98 91 99 262 12.8 2.029 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2758 2093.3 9.5 scans 91% 79 m/z 0.028% 2.50% 6334 0.5 1007 1682783 146977460 136341691 2-8 20: 79 67 93 95 80 91 108 121 55 81 41 77 94 107 135 87 78 59 105 122 0.982 41.26 2.3 97 97 95 99 264 74.8 0.552 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.5125 2120.7 9.3 scans 94% 205 m/z (237) 0.068% 1.46% 6374 0.4 762 689495 86077285 83673769 2-1 20: 205 217 57 175 189 220 177 232 55 91 261 41 191 203 192 77 109 161 115 163 0.999 41.49 -75.9 85 100 99 100 276 51.2 0.452 0.022 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0875 2152.9 14.5 scans 96% TIC 0.0083% 8.02% 6471 0.3 1494 5677842 469888164 457717405 1-1 0.999 42.01 750.9 79 98 99 99 272 40.5 0.074 0.076 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3466 2167.5 8.1 scans 77% 73 m/z 0.21% 0.151% 6515 0.9 268 216383 8874141 8361162 2-4 20: 73 147 281 221 355 429 503 341 282 356 504 148 283 222 207 415 431 295 74 505 0.946 42.37 758.5 75 93 93 99 503 44.6 2.778 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1252 Contamination 43.31min 43.3065 2221.4 9.4 scans 60% TIC 0.30% 0.0765% 6678 1.0 184 157597 4482233 4002969 2-3 0.796 43.31 -0.0 83 83 53 82 278 51.8 7.931 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN HCMIX_~1-N1020 ? Icosane 43.8301 2250.8 >8 scans 29% 99 m/z 2.5% 0.00911% 6767 5.4 80 18401 534008 534008 0-0 12: 99 244 113 169 98 55 112 83 56 68 166 97 0.581 43.94 -5.9 72 89 56 85 282 5.5 0.000 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8001 2364.0 7.8 scans 59% 73 m/z (109) 0.90% 0.0373% 7100 1.1 131 52560 2185984 2058531 2-2 20: 73 355 147 221 281 356 222 429 282 295 74 504 207 148 461 430 357 358 193 399 0.866 45.78 1.4 94 97 86 96 503 12.3 0.884 0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9724 2373.9 >5 scans 44% 301 m/z (211) 0.034% 1.08% 7129 0.0 771 1370694 3.13% 63728457 53003846 183302338 3-0 9: 301 38 104 236 216 156 64 235 253 0.817 45.92 895.2 74 95 94 98 298 123.4 2.566 0.052 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1885 2386.3 13.4 scans 74% 79 m/z (69) 0.018% 5.17% 7166 0.4 1216 2503237 303144885 285092856 2-2 20: 79 67 95 93 108 80 91 107 121 77 135 149 78 122 105 136 66 236 92 261 0.971 46.13 3.1 91 92 90 96 292 104.3 0.736 0.054 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7741 2420.0 7.9 scans 92% TIC 0.040% 0.866% 7265 0.8 647 1179765 50756097 47669993 2-6 0.978 46.76 924.9 79 98 98 99 298 116.5 3.240 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6950 2473.0 6.8 scans 11% 221 m/z (131) 7.6% 0.00297% 7421 0.9 39 6188 174415 160841 1-3 5: 221 369 296 295 297 0.749 44.32 1025.7 65 97 74 94 369 9.7 6.117 3.375 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9424 2544.8 >9 scans 61% TIC 1.9% 0.0148% 7632 0.0 92 24376 0.0268% 869093 819678 1569490 1-0 0.932 48.95 994.4 73 92 88 99 429 24.4 7.024 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3668 2626.8 8.4 scans 93% 74 m/z 0.040% 1.06% 7873 0.7 687 1173380 62199998 57143189 3-3 20: 74 87 43 143 75 55 57 69 283 41 71 129 199 59 227 88 56 185 98 42 0.990 50.36 1039.8 79 97 98 99 326 131.6 3.673 0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8568 2712.5 8.2 scans 33% 73 m/z 3.4% 0.00852% 8126 1.2 65 13823 499126 461745 1-3 17: 73 147 221 357 429 281 355 327 105 222 290 505 430 207 356 295 133 0.550 51.86 1081.6 63 89 51 90 503 10.8 2.759 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6267 2871.9 9.0 scans 23% 221 m/z (71) 8.3% 0.00342% 8596 1.2 35 5685 200746 174423 2-5 12: 221 356 147 355 429 341 282 222 357 74 430 295 0.530 45.81 1395.4 65 95 57 91 503 5.2 0.000 8.815 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.3092 776.4 7.8 scans 93% 77 m/z 0.033% 0.297% 72 3.9 348 1328971 17624773 16918756 0-4 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 60 33 80 0.996 4.37 22.4 100 100 99 100 77 297.5 73.247 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5223 834.1 >23 scans 75% 207 m/z 0.53% 0.0456% 447 2.8 98 83032 2701598 2542172 1-1 15: 207 208 209 133 82 194 177 179 89 149 192 178 87 193 105 0.890 6.53 -142.7 80 100 88 99 207 74.4 57.104 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6304 862.9 9.0 scans 77% 41 m/z 1.5% 0.0433% 634 2.4 125 28544 2564883 2354276 1-3 19: 41 69 55 83 39 42 98 57 70 53 56 43 80 79 51 38 54 68 99 0.901 7.71 7.6 97 98 92 97 98 34.7 7.657 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1016 ?? Pivalic acid 9.3211 906.9 10.9 scans 44% 57 m/z (134) 3.4% 0.00525% 921 2.2 45 12953 311293 303499 0-1 8: 57 41 100 75 72 71 96 39 0.857 6.03 -54.7 63 73 73 81 102 2.0 0.000 3.288 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKSTART-N1004 ?? Contamination 12.42min 11.0850 952.9 >18 scans 32% 43 m/z (74) 5.1% 0.00875% 1220 0.5 49 8702 0.0100% 518433 475350 592015 2-0 9: 43 57 55 85 60 61 56 70 69 0.664 12.42 3.2 61 68 61 76 281 0.0 0.000 -1.334 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2249 982.5 17.6 scans 35% 281 m/z 0.50% 0.0462% 1412 2.3 105 88214 2738984 2551573 2-0 17: 281 282 283 249 284 265 207 191 134 250 179 192 126 189 194 252 142 0.750 12.22 36.2 92 98 80 99 281 76.6 53.107 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2178 1008.7 9.8 scans 84% 81 m/z 0.15% 0.144% 1581 2.0 216 281705 8526809 7615616 2-3 19: 81 110 53 39 79 67 41 68 77 82 51 55 66 50 54 40 109 52 63 0.959 13.22 45.1 94 100 95 99 110 59.9 7.682 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1016 Limonene 13.8926 1027.0 8.3 scans 84% 68 m/z 0.33% 0.132% 1695 1.3 239 132865 7839855 7049973 2-6 20: 68 93 67 79 94 136 121 92 107 91 77 53 39 41 80 81 95 65 69 108 0.938 13.89 51.7 91 99 95 99 136 47.9 4.014 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0874 1032.3 15.0 scans 54% 79 m/z (82) 1.7% 0.0294% 1728 2.2 85 25519 1744929 1632227 2-2 11: 79 77 108 105 64 39 97 65 80 109 85 0.950 14.11 53.3 88 99 95 99 108 38.7 20.623 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4363 1041.7 9.3 scans 88% 91 m/z 0.050% 0.344% 1787 1.4 350 884266 20423677 18508222 2-5 19: 91 92 120 65 63 39 89 51 62 50 90 121 64 66 93 38 74 61 52 0.981 14.44 56.9 91 100 100 100 120 113.0 10.412 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0207 1057.6 >8 scans 37% TIC 2.6% 0.00841% 1886 0.3 76 16946 498024 450060 4-0 0.722 18.83 4.9 72 81 66 82 122 2.0 0.000 -3.809 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1648 1061.5 11.4 scans 65% 105 m/z 0.12% 0.176% 1910 1.0 256 361746 10436606 9555303 2-1 18: 105 77 123 51 46 106 50 78 124 76 75 79 44 62 107 49 61 40 0.759 15.17 64.1 88 100 95 100 123 93.5 13.290 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2362 1063.4 >8 scans 10% 109 m/z (105) 1.1% 0.0188% 1923 999.0 89 38623 0.0367% 1116307 1015097 2172693 0-3 5: 109 39 110 95 90 0.795 16.11 -206.8 72 96 85 96 109 47.8 28.619 -0.873 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN 98-86-2 ? Acetophenone 15.2557 1063.9 10.2 scans 75% 105 m/z 0.12% 0.167% 1926 1.4 258 359971 9895331 9092657 1-2 19: 105 77 120 51 43 50 78 106 121 76 74 63 75 91 62 65 53 52 89 0.971 15.29 -181.8 79 98 95 99 120 90.4 12.272 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4215 1068.4 9.1 scans 76% 95 m/z (119) 0.27% 0.114% 1954 1.8 202 160153 6772120 6358230 1-4 18: 95 81 124 43 79 109 53 39 82 41 65 96 66 67 51 52 125 54 0.955 15.43 66.7 86 99 97 99 124 59.4 8.616 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1002 ? Undecane 16.6016 1100.6 8.6 scans 31% 57 m/z (58) 3.5% 0.0117% 2153 1.1 70 12492 693034 654669 2-1 16: 57 71 85 41 93 56 55 69 84 95 156 83 67 80 98 54 0.878 16.59 0.6 75 78 81 89 156 7.9 1.277 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1016 Nonanal 16.7716 1107.8 8.1 scans 83% 57 m/z (80) 0.56% 0.112% 2183 1.2 207 78278 6632335 5571240 7-4 20: 57 41 56 55 98 70 44 69 82 43 68 96 95 67 81 39 42 71 83 54 0.990 16.82 85.4 80 98 98 99 124 12.9 0.388 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1008 ? Maltol 16.9541 1115.5 9.6 scans 65% 71 m/z (81) 0.28% 0.126% 2214 1.4 215 155431 7460624 6884858 1-5 20: 71 43 95 110 58 128 69 42 57 84 70 53 72 39 56 68 54 113 80 96 0.732 16.96 90.9 75 99 76 96 156 10.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9541 1115.5 9.6 scans 42% 71 m/z 0.29% 0.0763% 2214 1.4 174 148417 4518429 4169724 1-5 20: 71 43 95 110 58 128 69 42 57 84 70 53 72 39 56 68 54 113 80 96 0.608 16.97 90.8 74 96 68 97 128 45.3 6.818 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0627 1120.1 12.5 scans 29% 91 m/z (81) 1.8% 0.0136% 2232 1.4 61 24662 808035 695813 8-3 6: 91 92 65 103 104 89 0.697 17.05 94.1 71 97 85 96 122 22.2 13.346 0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1012 ?? Nicotine 17.4304 1135.6 >17 scans 1.2% 133 m/z 59% 0.000139% 2294 1.1 7 740 0.000161% 8227 6427 9531 1-0 1: 133 0.261 25.78 -19.7 64 100 100 100 162 0.0 0.000 -8.348 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0656 1162.5 9.6 scans 66% 73 m/z 0.53% 0.0550% 2402 1.6 147 82357 3260391 2971575 3-1 18: 73 355 267 356 357 268 269 251 323 193 74 207 249 59 170 324 179 237 0.902 18.13 -169.2 79 99 86 98 355 64.6 19.400 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN M4942-N1002 ? Pyranone 18.2032 1168.3 10.0 scans 84% 144 m/z (68) 0.18% 0.244% 2425 0.7 290 237749 14485471 12769724 2-4 20: 144 43 101 44 72 73 55 45 115 145 42 71 58 53 56 54 74 100 59 39 0.992 20.04 -222.2 78 100 99 100 144 122.3 17.763 -1.839 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1018 Pyranone 18.2032 1168.3 10.0 scans 81% 144 m/z 0.19% 0.212% 2425 0.7 285 233230 12576354 11086734 2-4 20: 144 43 101 44 72 73 55 45 115 145 42 71 58 53 56 54 74 100 59 39 0.977 18.22 124.8 80 99 98 99 144 124.2 19.010 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2734 1171.2 8.8 scans 3.7% 281 m/z (133) 14% 0.00151% 2437 4.2 30 3097 0.00250% 89379 89379 148004 0-0 3: 281 283 282 0.373 12.25 18.1 68 82 22 83 281 14.4 23.689 6.022 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7044 1189.4 9.7 scans 8.6% 125 m/z (123) 3.8% 0.0181% 2510 1.1 81 11476 1077057 922464 4-1 8: 125 98 111 107 100 112 95 80 0.869 18.71 138.6 68 94 85 96 153 3.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1347 1207.6 >11 scans 7.7% 82 m/z (101) 0.69% 0.0376% 2582 0.7 113 63576 2227653 2227653 0-0 11: 82 39 46 94 83 43 123 53 40 38 86 0.856 19.12 150.5 75 98 98 99 97 18.2 2.585 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1004 ? Octanoic acid 19.6814 1230.7 >20 scans 93% 60 m/z 0.096% 1.23% 2676 0.1 517 458418 72885740 68536501 1-2 20: 60 69 85 73 55 97 41 101 87 43 57 115 88 39 82 45 108 83 42 98 0.994 19.87 162.4 78 96 92 100 144 6.0 0.000 -0.190 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 19.6814 1230.7 >20 scans 91% 60 m/z (110) 0.092% 1.25% 2676 0.1 511 480056 74442574 70000435 1-2 20: 60 69 85 73 55 97 41 101 87 43 57 115 88 39 82 45 108 83 42 98 0.991 22.03 -78.4 78 92 93 99 175 0.0 0.000 -2.353 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7546 1233.8 9.6 scans 17% 119 m/z (110) 2.7% 0.00580% 2688 1.4 48 16086 343537 340657 0-3 7: 119 91 120 138 65 92 64 0.862 13.76 34.3 71 77 67 77 134 16.7 12.075 5.998 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8242 1236.8 13.6 scans 81% TIC 0.24% 0.119% 2700 1.6 237 184228 0.151% 7069783 6708976 8939420 1-0 0.974 19.81 169.3 76 94 92 98 144 5.1 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 19.8785 1239.1 7.7 scans 56% 105 m/z 0.44% 0.0435% 2709 0.4 148 100112 2578196 2327482 2-2 16: 105 122 77 51 50 74 106 123 78 94 49 52 66 38 37 104 0.965 20.03 168.4 76 96 92 96 122 76.1 26.367 -0.150 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1004 ?? Dodecane 20.3053 1257.1 8.5 scans 8.3% 57 m/z (107) 12% 0.00146% 2781 1.3 25 3605 86802 86802 0-0 5: 57 85 71 137 70 0.561 20.32 -0.6 62 86 57 81 170 5.2 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5273 1263.9 8.1 scans 75% 57 m/z (128 88) 1.4% 0.0462% 2819 1.0 141 29763 2738139 2476770 4-3 19: 57 41 55 82 70 71 43 68 112 81 83 44 67 56 69 96 42 84 39 0.979 16.82 -27.5 66 74 83 74 124 2.1 0.000 3.712 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5273 1263.9 8.6 scans 70% TIC 1.5% 0.0388% 2819 0.9 136 29058 2297404 2060345 2-2 0.903 20.56 185.2 76 99 93 98 128 11.9 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1006 Arosol 20.9677 1277.1 9.5 scans 83% 94 m/z 0.040% 0.488% 2893 1.1 429 1100460 28938098 27188022 2-4 18: 94 138 77 95 66 65 51 107 39 45 79 78 139 50 63 38 40 74 0.960 20.98 192.1 80 100 97 100 152 0.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1030 ?? Contamination 21.50min 21.4323 1291.1 11.2 scans 5.9% 282 m/z (110) 11% 0.00257% 2972 1.8 29 3833 152149 118800 1-7 11: 282 281 283 134 369 133 84 74 59 207 118 0.509 21.50 198.3 62 93 38 90 369 7.5 6.732 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9040 1335.2 8.3 scans 75% 43 m/z 0.25% 0.113% 3222 0.9 227 173845 6731706 6179348 4-7 17: 43 69 109 86 71 41 110 127 128 70 55 67 95 39 56 58 42 0.906 22.91 221.6 78 99 90 98 127 32.1 2.006 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.4311 1351.1 19.4 scans 83% 60 m/z 0.22% 0.328% 3311 0.2 290 194401 19465846 17868933 1-5 20: 60 73 57 129 41 115 55 43 98 69 61 87 56 42 45 39 83 74 96 101 0.958 22.70 -124.2 77 95 95 99 158 20.5 0.499 0.735 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.4311 1351.1 19.4 scans 86% 60 m/z (139) 0.22% 0.372% 3311 0.2 295 194658 22037164 20229309 1-5 20: 60 73 57 129 41 115 55 43 98 69 61 87 56 42 45 39 83 74 96 101 0.978 25.35 201.9 74 94 93 99 162 0.0 0.000 -1.923 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0888 1371.6 7.2 scans 76% 73 m/z 0.19% 0.121% 3422 1.1 253 222157 7166212 6875893 1-3 20: 73 341 429 342 325 343 147 430 431 326 74 207 327 344 432 311 251 75 148 45 0.874 24.17 -152.2 80 100 90 99 429 78.3 9.570 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1006 ?? Tridecane 24.5481 1386.9 7.9 scans 16% 85 m/z (159) 10% 0.00254% 3499 1.2 36 4269 150474 140620 1-0 6: 85 71 57 43 112 84 0.784 23.86 22.9 63 77 63 74 184 0.0 0.000 0.686 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6939 1391.8 17.3 scans 61% TIC 0.80% 0.0400% 3525 0.8 135 54990 0.0531% 2371078 2287537 3143597 0-1 0.825 24.70 252.2 70 94 91 97 170 5.7 0.180 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.5197 1419.4 22.4 scans 96% 84 m/z 0.0061% 9.02% 3665 0.3 1355 7243886 534514623 517754539 0-2 20: 84 133 118 130 117 65 91 63 120 55 104 52 132 41 93 64 80 90 54 145 0.997 25.89 262.4 79 98 97 98 162 372.3 7.550 -0.372 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN GLAU_R~1-N1080 ? Solanone 25.7877 1428.3 7.8 scans 31% 93 m/z (85) 2.1% 0.0140% 3710 0.9 78 20342 830208 712392 7-3 7: 93 136 121 194 155 108 137 0.883 25.78 273.0 70 96 88 95 194 11.8 2.285 0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1001 1472.2 6.6 scans 39% 221 m/z 1.8% 0.0115% 3933 0.9 82 23508 684602 644802 2-1 17: 221 73 147 222 355 281 267 339 223 282 443 268 149 357 283 356 444 0.842 27.12 297.3 75 96 78 95 355 16.4 4.010 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1679 1474.4 7.1 scans 28% TIC 1.3% 0.00707% 3944 1.2 86 32497 0.0147% 418667 418667 870261 0-0 0.507 27.21 -1.4 93 96 51 93 198 15.5 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9832 1504.9 12.3 scans 66% 118 m/z (43) 0.35% 0.104% 4082 1.6 175 126640 6173919 5828302 1-3 14: 118 146 145 78 104 51 42 63 90 65 64 50 62 89 0.964 27.93 318.2 73 95 92 95 146 79.3 20.581 0.052 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3822 1519.9 8.6 scans 78% 80 m/z 0.12% 0.138% 4150 1.0 248 343976 8182335 7678203 2-3 20: 80 171 104 53 78 170 91 172 77 84 51 81 103 65 105 39 79 168 167 63 0.947 28.39 326.5 79 99 93 98 171 111.0 20.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6579 1530.3 8.0 scans 86% 43 m/z (166) 0.095% 0.349% 4196 1.0 386 465222 20711666 18292685 7-6 19: 43 69 41 151 107 136 67 125 93 109 83 53 81 121 39 68 79 108 91 0.990 28.67 332.9 77 99 99 100 194 24.7 0.408 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0883 1546.5 7.8 scans 62% TIC 0.39% 0.0715% 4269 1.0 204 111753 4233406 3849011 2-1 0.851 29.10 342.6 68 90 86 88 227 4.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5192 1562.7 7.2 scans 64% 73 m/z 0.19% 0.142% 4342 1.1 273 225961 8423105 7959490 2-2 20: 73 281 147 327 282 415 341 503 283 328 399 221 504 148 416 329 74 325 383 505 0.943 29.61 -150.4 78 98 91 98 503 47.7 3.046 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6645 1568.1 8.0 scans 77% 177 m/z (60) 0.031% 0.986% 4367 0.7 664 1431737 58410763 54299093 2-1 20: 177 43 178 91 135 77 93 79 121 107 149 133 122 95 41 192 119 109 39 65 0.886 29.68 355.6 76 98 84 98 192 68.3 1.058 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7619 1571.8 7.9 scans 71% 123 m/z 0.034% 0.354% 4383 0.9 416 1278134 21010096 19115764 1-3 20: 123 43 135 124 107 95 41 79 109 55 77 39 81 69 67 97 53 125 93 105 0.907 29.77 357.8 78 98 90 98 193 35.3 0.721 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5098 1600.5 7.9 scans 81% 191 m/z 0.042% 0.317% 4510 0.9 392 1047457 18818940 17528717 2-3 20: 191 206 192 57 163 74 175 91 115 41 107 207 73 77 88 147 128 161 133 105 0.961 30.50 375.7 80 99 96 99 206 105.2 7.188 0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8368 1614.2 >9 scans 63% TIC 0.30% 0.0660% 4565 0.5 219 144045 0.179% 3907452 3637964 10597060 2-0 0.949 30.81 384.8 76 96 95 96 180 54.6 6.226 0.030 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8782 1616.0 17.7 scans 61% TIC 0.37% 0.103% 4572 1.4 228 117470 0.169% 6151118 5906650 10005046 0-1 0.834 30.88 -0.0 94 95 86 95 204 31.1 1.859 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9360 1618.4 8.2 scans 7.2% 172 m/z (91) 3.5% 0.00485% 4582 1.8 43 12436 0.00543% 287275 262423 321464 3-0 3: 172 171 156 0.660 30.93 0.4 85 91 71 92 171 28.8 45.335 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2318 1630.8 10.4 scans 80% 111 m/z 0.048% 0.848% 4632 0.5 556 917321 50205149 45760744 3-11 20: 111 109 137 43 180 67 110 95 124 152 41 79 77 39 81 112 69 53 93 65 0.940 31.18 395.8 78 99 96 99 180 123.4 4.934 0.054 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.4968 1642.0 9.0 scans 38% 166 m/z (164) 1.3% 0.0245% 4677 1.5 97 33943 1455508 1434261 0-2 4: 166 173 58 169 0.750 31.52 -0.7 82 93 86 92 166 20.7 4.496 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7867 1654.1 8.5 scans 36% 193 m/z (85) 1.3% 0.0307% 4726 1.1 116 32565 1822790 1653346 2-1 14: 193 84 147 70 194 110 151 138 175 125 113 210 120 167 0.862 31.80 -0.4 64 65 55 87 208 17.4 2.274 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9171 1659.6 7.8 scans 40% 83 m/z (143) 0.79% 0.0366% 4748 1.1 130 55553 2170118 1999718 3-2 4: 83 82 55 210 0.939 31.92 -0.1 63 65 75 74 219 2.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0813 1666.5 6.9 scans 43% 221 m/z 0.56% 0.0372% 4776 1.0 144 78038 2204355 2027607 3-6 20: 221 73 147 222 207 341 223 295 296 148 281 325 357 267 356 74 342 297 208 355 0.887 32.08 0.1 96 97 85 97 355 26.4 3.377 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4349 1681.4 8.0 scans 54% 57 m/z (119) 0.59% 0.0658% 4836 1.2 169 75103 3899101 3484019 0-4 15: 57 71 85 43 56 197 41 113 99 70 141 196 128 168 58 0.931 32.44 -0.3 87 94 91 93 226 7.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6769 1691.5 8.6 scans 77% 205 m/z (176) 0.55% 0.256% 4877 0.8 320 79818 15165718 13640068 4-2 20: 205 119 91 43 105 93 159 79 162 107 41 147 187 77 131 146 145 106 67 121 0.953 32.67 0.0 94 95 90 97 220 20.3 0.402 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8635 1699.4 7.7 scans 16% 70 m/z (149) 0.80% 0.0309% 4909 1.1 120 55337 0.0369% 1832618 1670572 2184534 2-0 5: 70 201 216 172 183 0.751 32.87 -0.1 71 85 73 82 186 3.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9307 1702.2 7.9 scans 48% 71 m/z 0.11% 0.0987% 4920 0.7 213 382934 5848192 5226023 4-2 13: 71 43 159 111 56 155 72 173 143 243 89 73 244 0.904 32.93 -0.1 95 96 94 96 243 36.1 2.863 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3044 1717.9 7.9 scans 50% 57 m/z 0.52% 0.0426% 4983 1.0 160 84348 0.0594% 2522222 2371615 3516566 0-1 20: 57 71 43 85 41 56 70 99 226 55 113 42 127 112 164 84 98 39 140 138 0.857 33.37 -2.9 80 87 85 87 226 19.9 1.543 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2696 1733.6 8.3 scans 39% 57 m/z (173) 1.2% 0.0369% 5147 0.9 128 35877 2188938 2081566 1-1 17: 57 71 85 43 211 41 86 210 44 98 181 162 197 127 58 141 212 0.878 34.27 0.0 82 87 75 97 211 19.9 2.427 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3765 1735.2 7.9 scans 89% 73 m/z 0.053% 0.653% 5165 0.9 564 827486 38674870 36325052 2-2 20: 73 355 147 221 281 356 401 357 402 415 222 327 403 267 283 207 358 223 385 75 0.978 34.39 452.2 81 100 98 100 415 67.2 1.423 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8476 1741.9 16.9 scans 88% 91 m/z 0.024% 1.74% 5245 0.2 664 1838508 103158729 98977547 0-1 20: 91 155 199 90 65 184 89 92 44 120 137 106 63 77 39 156 134 64 200 109 0.982 34.79 452.9 80 99 97 99 199 191.1 8.280 0.062 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9024 1742.7 8.0 scans 47% 68 m/z (91) 0.99% 0.0677% 5253 1.3 172 44515 4008229 3676091 4-5 2: 68 224 0.897 34.90 -0.0 80 79 80 98 224 18.6 1.168 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1042 ? Phytol 35.3499 1749.1 >10 scans 59% TIC 0.85% 0.0535% 5330 0.8 176 52032 3172850 2849660 1-1 0.875 35.35 451.7 74 98 90 96 196 20.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6982 1754.1 8.5 scans 71% 123 m/z 0.13% 0.231% 5389 1.0 322 335589 13731459 12500880 3-3 20: 123 43 209 193 224 105 165 181 124 167 77 210 109 195 91 79 125 95 166 175 0.923 35.70 451.4 76 96 89 96 224 54.6 2.875 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5388 1766.1 6.9 scans 30% 221 m/z (91) 0.36% 0.102% 5531 1.0 228 120759 6039897 5533537 3-4 20: 221 73 147 207 295 222 281 369 223 341 296 148 208 282 297 370 74 327 279 355 0.933 36.58 449.6 75 98 90 98 369 33.1 2.112 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.0 scans 71% 209 m/z 0.11% 0.198% 5643 1.0 309 387510 11728389 10975348 2-1 20: 209 224 181 210 165 167 178 105 166 179 103 225 194 77 91 193 115 152 182 119 0.930 37.20 449.2 80 100 93 99 224 98.5 10.167 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3004 1777.0 9.9 scans 33% 85 m/z (146) 1.8% 0.0328% 5661 1.2 108 23810 1946920 1753530 0-6 17: 85 71 96 99 86 187 155 126 127 113 68 56 111 210 141 169 164 0.805 38.91 -23.0 73 86 87 85 254 2.9 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0542 1787.8 8.2 scans 55% 57 m/z (101) 0.61% 0.0627% 5788 1.0 167 72453 3712267 3463781 2-2 17: 57 71 85 43 56 225 41 99 55 224 127 113 70 226 141 155 98 0.889 38.06 448.1 72 98 95 99 225 31.3 3.516 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5908 1795.4 8.2 scans 87% 73 m/z 0.056% 0.591% 5879 0.9 527 788511 35004489 32392889 2-2 20: 73 429 147 221 355 430 281 341 207 431 356 401 222 357 74 148 342 282 295 267 0.975 38.59 447.3 80 99 97 99 429 154.2 8.552 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4433 1866.1 7.7 scans 66% 74 m/z 0.22% 0.107% 6023 1.0 238 197937 6356771 6016977 2-2 19: 74 87 43 143 55 75 41 213 256 69 59 225 129 101 199 83 97 157 88 0.867 39.45 504.6 68 93 79 92 256 36.8 2.394 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.7668 1906.2 7.6 scans 91% 68 m/z 0.073% 0.976% 6078 0.8 700 601461 57800771 52469945 2-2 20: 68 95 82 123 69 57 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.995 39.94 537.1 80 99 99 99 278 37.7 0.289 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8860 1921.0 7.5 scans 83% 43 m/z 0.21% 0.222% 6098 0.9 345 206837 13194804 12157717 1-6 20: 43 58 71 59 57 85 55 109 95 69 41 110 124 83 70 81 123 56 96 82 0.975 39.88 552.7 79 99 98 99 250 36.4 1.112 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3081 1973.3 8.0 scans 62% 149 m/z 0.10% 0.0946% 6170 0.9 216 407288 5605283 5215404 5-4 18: 149 57 150 223 104 76 41 56 205 65 93 121 132 105 122 224 50 225 0.940 40.31 598.4 78 99 95 99 223 48.2 4.991 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6104 2010.8 7.3 scans 61% 221 m/z 0.50% 0.0548% 6221 0.9 171 87472 3249301 3097885 2-2 20: 221 73 147 295 207 281 222 369 296 223 282 148 371 208 297 265 74 283 370 355 0.888 40.63 630.7 75 97 89 99 369 29.5 2.978 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN N406_R~1-N1110 ? Phytol 40.8294 2038.0 >15 scans 33% 77 m/z (184) 2.9% 0.0275% 6257 0.8 93 15180 1629280 1485837 0-1 12: 77 93 165 80 169 242 65 166 141 108 167 121 0.679 40.66 20.8 79 91 59 87 278 13.5 0.000 0.167 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1254 Phytol 40.8518 2040.7 8.2 scans 35% 95 m/z (184) 2.2% 0.0283% 6261 1.4 106 20102 0.0370% 1678786 1567891 2190454 1-0 11: 95 81 123 82 68 96 67 109 124 179 137 0.720 40.87 -2.0 86 96 67 93 278 16.2 2.330 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1212 ? Hexadecene 40.9114 2048.1 9.5 scans 46% 83 m/z (230) 1.3% 0.0405% 6272 1.3 145 32188 0.117% 2402324 2402324 6926570 0-0 20: 83 97 55 69 57 70 56 43 111 84 41 68 98 82 125 71 112 85 153 96 0.946 33.09 339.4 70 93 95 94 224 7.1 0.237 7.826 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BQLD_R~1-N1056 ? Homosalate 40.9935 2058.3 8.1 scans 39% 138 m/z (100) 1.0% 0.0368% 6286 0.8 129 40906 2180807 2046781 2-1 11: 138 120 109 121 124 262 209 95 93 356 53 0.863 41.00 672.5 74 98 93 100 262 17.7 1.888 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2833 2094.2 9.9 scans 90% TIC 0.022% 2.94% 6335 0.6 1057 1945488 174119185 159448459 2-5 0.962 41.26 3.2 96 96 91 97 264 82.7 0.612 0.025 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4770 2118.3 7.3 scans 75% 205 m/z (239) 0.27% 0.262% 6368 0.8 361 162120 15538547 14978150 2-1 20: 205 217 175 57 189 220 177 232 91 261 203 191 192 233 161 77 163 115 105 176 0.972 41.49 -78.3 84 100 96 99 276 24.1 0.447 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.1045 2153.9 16.9 scans 95% 74 m/z 0.0079% 9.17% 6474 0.2 1507 5620157 542984663 519536287 0-2 20: 74 87 143 41 239 57 185 83 59 97 157 67 111 73 130 39 53 200 79 96 0.999 42.01 751.9 79 98 98 98 272 42.1 0.078 0.093 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3406 2167.1 7.7 scans 76% 73 m/z 0.19% 0.159% 6514 1.2 282 232312 9433915 8733863 2-3 20: 73 147 281 221 355 429 503 207 341 282 430 283 504 222 148 431 415 295 505 74 0.939 42.37 758.1 74 93 92 98 503 48.4 2.956 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1252 Contamination 43.31min 43.2975 2220.9 10.5 scans 24% 263 m/z (239) 2.6% 0.0129% 6676 1.2 67 16530 769263 707695 4-1 11: 263 105 131 143 93 149 145 117 227 80 279 0.656 43.31 -0.5 83 92 60 89 278 16.7 6.169 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.6 9.6 scans 41% 71 m/z (192) 1.7% 0.0249% 6769 1.2 102 25411 1478448 1386650 0-1 19: 71 85 43 169 126 99 56 282 113 141 268 41 72 69 112 83 84 167 266 0.911 43.94 -5.1 64 72 83 86 282 6.0 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2952 2277.4 7.2 scans 46% 221 m/z 1.0% 0.0261% 6845 1.0 118 44185 1549865 1429059 2-6 20: 221 73 147 295 207 281 222 369 296 265 355 223 209 148 282 297 372 370 191 283 0.832 44.32 830.1 73 98 86 98 369 23.0 3.781 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7940 2363.6 8.0 scans 67% 73 m/z (109) 0.53% 0.0656% 7099 1.1 171 83662 3887210 3533203 2-3 20: 73 355 147 221 281 356 207 357 430 429 358 222 282 295 148 415 74 265 208 223 0.904 45.78 1.0 96 98 90 97 503 16.1 0.886 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1026 ? Methyl stearate 46.0420 2377.9 13.8 scans 67% 74 m/z 0.011% 5.00% 7141 0.3 1220 4027258 296173008 274423789 1-2 20: 74 87 255 143 43 298 75 57 199 41 101 59 213 71 88 256 241 111 85 267 0.838 45.92 899.2 77 98 85 98 298 247.5 4.120 0.122 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.2079 2387.4 15.3 scans 77% 79 m/z (83) 0.016% 6.36% 7169 0.4 1270 2702526 376765202 360635632 2-2 20: 79 93 95 108 80 91 107 94 77 121 149 122 78 136 66 65 92 119 261 163 0.982 46.13 4.2 91 92 92 96 292 110.9 0.763 0.074 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7799 2420.4 7.9 scans 91% 74 m/z 0.031% 1.05% 7266 0.8 707 1388263 62512573 58425823 2-3 20: 74 87 143 43 55 298 69 57 199 83 97 59 267 101 71 185 213 299 98 84 0.976 46.76 925.3 79 98 98 99 298 132.2 3.495 0.019 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9328 2544.3 8.0 scans 66% 73 m/z (288) 0.80% 0.0427% 7630 1.2 136 55109 2533307 2332250 2-5 19: 73 147 221 355 429 281 356 222 357 358 295 401 148 325 149 282 283 343 267 0.890 48.95 993.9 71 94 89 98 429 37.7 7.703 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3691 2626.9 7.9 scans 94% 74 m/z 0.028% 1.34% 7874 0.8 798 1556694 79388367 74124438 2-3 20: 74 87 43 143 326 75 55 57 283 69 41 83 97 129 71 199 101 227 59 88 0.991 50.36 1039.9 79 97 98 99 326 159.2 3.976 0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 54.6224 2871.7 >15 scans 44% TIC 3.3% 0.00893% 8594 1.0 63 13430 528850 475508 3-2 0.738 51.86 1240.8 72 94 70 92 503 8.7 1.894 2.764 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1016 ?? Pivalic acid 6.1216 823.6 7.1 scans 21% 57 m/z (71) 3.7% 0.00338% 379 0.6 42 14368 216193 184180 2-2 7: 57 41 59 87 58 102 45 0.845 6.03 -138.0 66 95 86 94 102 6.2 0.000 0.089 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5850 835.7 10.7 scans 64% 207 m/z 0.38% 0.0499% 457 2.6 124 139015 3185306 2879950 1-3 20: 207 208 209 96 191 133 161 177 192 210 193 135 147 163 75 165 95 178 194 179 0.871 6.53 -141.1 79 100 86 99 207 94.6 58.077 0.057 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN N506_R~1-N1176 2-Hexenal 7.6807 864.2 12.0 scans 21% TIC 0.37% 0.0660% 643 1.6 149 141702 4213799 3864008 2-3 0.265 7.71 8.9 83 95 26 86 98 95.6 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1002 ?? IS d3-Acetophenone 12.0261 977.4 >23 scans 63% 37 m/z (110) 0.20% 0.304% 1379 1.4 235 257880 19446365 15720007 5-1 5: 37 86 92 104 48 0.749 15.17 -20.0 68 70 73 71 123 0.0 0.000 -3.144 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKSTART-N1002 Contamination 12.22min 12.8242 998.1 9.9 scans 52% 281 m/z 0.39% 0.0836% 1514 2.0 172 135008 5334135 4839675 1-4 20: 281 282 108 283 69 41 55 111 249 39 193 125 67 93 58 191 133 68 284 126 0.694 12.22 51.8 86 94 53 99 281 93.3 29.409 0.604 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2380 1009.3 12.4 scans 85% 81 m/z (94) 0.11% 0.328% 1584 2.2 300 471733 20925214 19005504 2-2 19: 81 110 53 39 41 67 79 68 65 82 51 55 95 50 66 40 54 109 52 0.994 13.22 45.7 90 96 97 100 110 86.0 8.187 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1016 ?? Limonene 13.3189 1011.5 >14 scans 9.6% 103 m/z (42) 2.8% 0.0132% 1598 1.4 67 18916 846068 833845 1-0 4: 103 126 114 281 0.419 13.89 36.2 61 78 36 75 136 35.6 0.000 -0.573 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1040 Decane 13.3608 1012.6 9.0 scans 7.1% 57 m/z (112) 5.6% 0.00501% 1605 1.7 46 9450 319957 288858 1-0 12: 57 142 85 123 70 56 113 118 114 99 98 84 0.889 12.90 12.6 80 88 73 91 142 8.5 3.428 0.463 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1068 a-Toluenol 14.5309 1044.3 12.4 scans 28% 108 m/z (109) 2.1% 0.0219% 1803 1.9 80 24386 1398383 1289179 1-2 7: 108 79 107 77 91 78 76 0.890 14.11 65.3 82 98 91 97 108 36.2 20.597 0.422 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 14.8667 1053.4 10.4 scans 21% 91 m/z (116) 1.4% 0.0183% 1860 1.5 74 36514 1169805 977702 8-5 9: 91 120 92 100 65 123 63 64 150 0.680 14.44 68.6 78 95 77 99 120 22.3 9.038 0.425 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN M4942-N1006 ? 2-Acetylpyrrole 15.5799 1072.7 20.7 scans 64% 109 m/z (105) 0.26% 0.207% 1981 1.4 198 204873 13207687 11988733 2-2 16: 109 94 66 138 110 39 38 93 40 53 65 139 37 133 47 36 0.939 16.11 -197.5 76 99 93 99 109 112.7 32.543 -0.529 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN 98-86-2 ? Acetophenone 15.6271 1074.0 10.7 scans 49% 105 m/z 0.22% 0.117% 1989 1.6 202 233510 7472134 6666895 3-2 14: 105 77 120 51 106 78 50 74 107 121 75 125 86 122 0.969 15.29 -171.7 77 96 91 99 120 70.6 12.200 0.334 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.6324 1101.9 12.2 scans 46% 95 m/z 0.20% 0.139% 2159 1.9 206 264165 8890662 8286108 2-1 18: 95 81 124 79 53 96 77 82 65 51 66 125 52 50 63 54 78 40 0.779 15.43 100.2 76 97 72 96 124 62.2 9.164 1.199 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1016 ? Nonanal 17.0397 1119.1 9.4 scans 31% 57 m/z (74) 1.9% 0.0361% 2228 1.0 111 27815 2308682 1899513 6-8 10: 57 69 98 70 82 68 95 56 114 99 0.857 16.82 96.7 70 94 85 92 124 4.2 0.000 0.225 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1008 ?? Maltol 17.2286 1127.1 9.2 scans 54% 71 m/z (140) 0.50% 0.0746% 2260 1.5 170 106548 4763871 4423740 2-4 12: 71 95 43 110 58 128 55 69 72 70 59 96 0.747 16.96 102.5 66 95 67 93 156 10.2 0.000 0.271 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.2286 1127.1 9.2 scans 39% 71 m/z 0.50% 0.0474% 2260 1.5 146 106100 3026977 2810857 2-4 12: 71 95 43 110 58 128 55 69 72 70 59 96 0.755 16.97 102.4 66 89 71 88 128 40.3 7.640 0.261 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.3119 1130.6 11.7 scans 6.5% 91 m/z (71 56) 5.1% 0.00527% 2274 1.5 38 10494 336266 286947 2-1 2: 91 92 0.435 17.05 104.6 64 95 81 93 122 13.4 12.607 0.260 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2547 1170.4 8.2 scans 41% 355 m/z 0.61% 0.0464% 2434 1.3 147 86570 2964453 2683336 2-3 18: 355 267 356 357 268 269 249 191 323 192 223 251 237 253 179 358 165 270 0.830 18.13 -161.3 78 99 81 98 355 67.9 21.444 0.124 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN M4942-N1002 ? Pyranone 18.3798 1175.7 >11 scans 37% TIC 0.77% 0.0188% 2455 0.4 143 69137 1199809 1117330 1-0 0.919 20.04 -214.8 74 96 86 95 144 62.2 19.020 -1.662 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1018 Contamination 12.25min 18.4016 1176.7 9.5 scans 2.8% 281 m/z (144) 3.9% 0.00397% 2459 1.7 39 13465 253808 226833 1-2 8: 281 207 283 265 282 193 191 249 0.576 12.25 23.6 88 96 55 94 281 29.5 58.261 6.151 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1078 ?? 2-Nonenal 19.0233 1202.9 10.3 scans 3.0% 72 m/z (82) 5.6% 0.0131% 2563 1.9 68 9511 836871 836871 0-0 1: 72 0.666 18.83 150.2 60 97 73 93 122 4.5 0.000 0.193 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2936 1214.3 9.3 scans 6.7% 81 m/z (102) 0.64% 0.0423% 2610 1.5 122 82756 2699185 2488485 2-3 2: 81 54 0.858 19.12 157.2 76 99 96 99 97 22.3 3.311 0.173 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1024 ? p-Cymene 19.4253 1219.9 11.4 scans 2.9% 91 m/z 1.1% 0.0205% 2632 1.6 86 48269 1310095 1205701 3-0 5: 91 119 134 120 92 0.886 13.76 20.4 77 79 67 78 134 34.0 15.428 5.668 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1266 Octanoic acid 20.1360 1249.9 >20 scans 91% 69 m/z 0.077% 1.75% 2753 0.1 614 692086 112155463 103268217 1-5 20: 69 85 60 73 55 101 115 87 57 88 97 83 45 82 98 56 70 89 53 71 0.997 22.03 -59.2 84 91 93 99 175 0.0 0.000 -1.898 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1064 ? Benzoic acid 20.2783 1255.9 7.1 scans 60% 105 m/z 0.32% 0.0676% 2777 0.4 189 165449 4315129 3581360 2-10 18: 105 122 77 51 50 123 94 95 74 106 76 52 78 75 38 61 49 37 0.902 20.03 185.2 74 95 90 94 122 96.3 26.079 0.249 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1004 Dodecane 20.4459 1261.5 9.3 scans 44% 57 m/z (107) 0.75% 0.0495% 2805 1.2 142 70572 3158797 2838329 1-2 17: 57 71 43 85 41 70 56 99 84 42 170 113 127 141 126 83 171 0.969 20.32 3.8 93 96 95 97 170 18.6 1.724 0.126 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.6567 1267.8 8.7 scans 47% 57 m/z (128) 2.9% 0.0302% 2841 1.3 113 17976 0.0343% 1927999 1808322 2187867 1-0 20: 57 82 70 112 41 55 71 68 81 43 95 83 44 67 110 96 56 45 69 42 0.900 16.82 -23.6 64 69 82 69 124 2.6 0.000 3.842 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1032 ?? UNK Hydrocarbon 20.56min 20.6573 1267.8 11.0 scans 40% TIC 2.7% 0.0174% 2841 1.3 104 19297 0.0222% 1113598 1002565 1416054 5-0 0.781 20.56 189.1 66 90 79 95 128 5.7 0.000 0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.1254 1281.9 8.8 scans 79% 137 m/z (88) 0.79% 0.0968% 2920 1.1 202 66960 6178788 5605135 2-3 19: 137 152 123 109 81 67 91 95 79 93 41 107 39 119 53 65 77 110 51 0.980 21.00 196.6 72 94 91 94 155 2.1 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0098 1338.4 8.7 scans 89% 43 m/z 0.083% 0.439% 3239 0.7 451 638651 28061985 25457663 3-2 20: 43 69 109 86 71 41 110 127 128 67 95 70 55 39 56 57 58 85 42 53 0.987 22.91 224.8 79 99 98 99 127 61.7 1.870 0.097 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1016 ? Nicotine 23.2241 1344.9 11.6 scans 65% 60 m/z (148) 0.89% 0.0824% 3276 0.3 159 59641 5260336 4710770 1-12 19: 60 73 57 129 41 115 55 98 56 101 61 45 59 74 39 99 70 42 158 0.930 25.35 195.7 74 96 95 99 162 1.8 0.000 -2.130 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1040 ? Nonanoic acid 23.2241 1344.9 11.6 scans 58% 60 m/z 0.90% 0.0625% 3276 0.3 149 59200 3991797 3574760 1-12 19: 60 73 57 129 41 115 55 98 56 101 61 45 59 74 39 99 70 42 158 0.873 22.70 -130.4 72 96 88 96 158 10.4 0.487 0.528 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1006 ? Tridecane 23.8970 1365.2 7.8 scans 21% 57 m/z 2.9% 0.00590% 3390 0.8 59 17879 376469 349563 3-1 13: 57 71 85 70 56 99 184 164 84 149 127 141 113 0.653 23.86 1.2 73 87 60 84 184 9.3 2.470 0.035 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1284 1372.9 7.2 scans 64% 73 m/z 0.26% 0.102% 3429 1.1 237 200815 6516983 6084026 2-2 20: 73 341 429 325 147 343 430 342 431 326 74 327 344 207 432 251 45 191 75 311 0.926 24.17 -150.9 79 99 89 99 429 74.6 9.893 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7902 1395.0 10.4 scans 74% 43 m/z 0.17% 0.258% 3541 0.8 310 304375 0.334% 16489264 15280451 21304598 0-3 20: 43 83 55 41 82 142 58 56 85 113 69 111 39 57 70 71 127 67 93 128 0.915 24.70 255.4 73 94 95 95 170 11.8 0.144 0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1004 ? Nicotine 25.6131 1422.5 18.1 scans 94% 84 m/z 0.0099% 4.88% 3680 0.4 1077 5394084 311425791 299913190 1-2 20: 84 162 161 42 119 118 85 82 130 65 117 51 91 120 39 78 77 105 159 41 0.996 25.89 265.5 78 97 95 97 162 287.6 7.131 -0.279 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1267 1473.1 6.7 scans 57% 221 m/z 0.85% 0.0313% 3937 1.0 137 62579 1998564 1916530 1-2 19: 221 73 147 281 222 267 355 223 148 268 282 356 283 149 205 443 357 207 323 0.883 27.12 298.2 77 98 84 97 355 26.8 3.865 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1008 Tetradecane 27.1958 1475.4 7.7 scans 71% 57 m/z (164) 0.51% 0.0651% 3949 1.2 176 103066 0.0874% 4152636 3826901 5574916 2-0 20: 57 71 85 43 41 56 55 70 99 98 42 84 113 69 112 140 83 141 126 127 0.990 27.21 -0.4 96 98 97 98 198 21.4 1.475 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1032 ?? Myosmine 28.0199 1506.3 15.2 scans 36% 118 m/z (135) 1.0% 0.0399% 4088 2.1 106 49162 2545484 2398051 1-2 4: 118 146 145 166 0.866 27.93 319.6 69 94 82 94 146 48.9 21.386 0.089 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4125 1521.0 8.9 scans 36% 80 m/z (123) 0.99% 0.0223% 4155 1.1 97 54022 1423851 1315045 2-2 11: 80 171 104 170 78 168 164 167 166 190 50 0.857 28.39 327.6 70 94 88 96 171 43.1 19.671 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6799 1531.1 8.2 scans 78% 43 m/z (166) 0.15% 0.267% 4200 0.8 330 354398 17038366 14785693 4-5 12: 43 69 41 107 136 125 67 83 53 68 108 82 0.976 28.67 333.7 76 97 97 99 194 21.0 0.406 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5300 1563.1 7.9 scans 76% 73 m/z 0.10% 0.355% 4344 1.2 409 504076 22672329 20439825 5-9 20: 73 281 147 327 282 415 503 341 283 328 399 221 504 416 148 59 329 74 505 325 0.926 29.61 -150.0 78 98 90 98 503 74.3 3.293 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1044 ? b-Ionone 29.6982 1569.4 8.8 scans 79% TIC 0.022% 1.24% 4372 0.6 765 2360651 1.43% 79337028 73414402 91214297 0-1 0.892 29.68 356.9 73 93 86 93 192 87.3 1.305 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7891 1572.8 7.8 scans 86% TIC 0.045% 0.322% 4388 1.0 412 1187834 20574025 18729919 0-6 0.960 29.77 358.8 77 97 95 98 193 31.8 0.596 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN N406_R~1-N1098 ?? Olivetol 30.8588 1615.1 >14 scans 22% 137 m/z (165) 2.0% 0.0230% 4569 1.8 78 25935 1471210 1471210 0-0 13: 137 125 83 124 180 82 111 54 58 169 168 59 98 0.831 30.81 385.7 66 91 78 91 180 22.7 8.400 0.052 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1190 ? Berkheyaradulene 31.0306 1622.4 11.2 scans 35% TIC 1.2% 0.0175% 4598 1.0 100 42925 1120626 1098175 0-1 0.685 30.88 6.4 74 77 45 76 204 0.0 0.000 0.151 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.4114 1638.4 >22 scans 96% 137 m/z 0.017% 4.81% 4663 0.1 1051 3081837 307063763 301272896 0-1 20: 137 109 124 41 69 93 53 55 123 51 122 52 119 63 108 125 42 105 147 136 0.996 31.18 403.4 78 96 96 99 180 233.3 4.924 0.233 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1200 Contamination 32.08min 32.0772 1666.3 7.1 scans 79% 221 m/z 0.13% 0.215% 4776 0.9 345 395855 13733092 12496138 2-3 20: 221 73 147 222 207 295 341 355 223 148 281 325 296 267 74 342 208 356 297 133 0.941 32.08 -0.1 96 95 93 98 355 58.7 2.889 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1204 ?? Hydrocarbon 32.4min RI1681 32.4362 1681.4 7.1 scans 16% 57 m/z (149) 8.2% 0.00447% 4836 1.7 50 6507 285553 280504 1-0 13: 57 71 197 191 113 164 402 100 86 92 128 68 155 0.570 32.44 -0.3 61 79 58 75 226 1.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1012 Hexadecane 33.3081 1718.1 7.3 scans 56% 57 m/z (107) 0.96% 0.0355% 4984 0.8 133 55579 2265394 2017400 3-1 17: 57 71 85 43 41 55 99 56 70 113 42 84 140 72 98 155 127 0.915 33.37 -2.7 90 95 94 97 226 14.9 1.262 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1024 Contamination 34.39min 34.3772 1735.2 7.5 scans 90% 73 m/z 0.082% 0.451% 5165 0.9 485 647297 28795488 27191707 2-2 20: 73 147 221 281 356 401 357 282 415 327 267 207 283 148 358 223 385 416 325 341 0.974 34.39 452.2 80 100 97 100 415 58.5 1.455 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1212 ? Hexadecene 34.4273 1735.9 8.9 scans 21% 69 m/z (143) 5.0% 0.0111% 5174 1.3 67 10617 710177 633035 2-0 19: 69 112 70 71 57 56 55 83 97 95 96 43 125 41 111 126 84 98 140 0.820 33.09 27.2 71 82 78 81 224 2.1 0.000 1.342 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7491 1740.5 9.7 scans 78% 91 m/z 0.13% 0.208% 5228 0.7 292 390924 13270716 12517368 2-4 20: 91 155 199 90 65 184 92 89 44 120 63 137 106 39 77 200 64 156 51 134 0.941 34.79 451.5 79 99 93 99 199 83.5 8.180 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9020 1742.7 8.3 scans 24% 68 m/z (119) 5.3% 0.0154% 5254 1.5 77 9942 983600 828346 1-5 8: 68 97 224 112 140 125 139 168 0.907 34.90 -0.0 74 81 78 90 224 8.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1042 ? Phytol 35.3506 1749.1 8.1 scans 59% 57 m/z 0.78% 0.0813% 5330 1.0 204 67915 5187230 4660178 4-1 20: 57 71 43 69 55 56 85 126 41 70 95 81 111 82 83 98 96 67 97 137 0.904 35.35 451.7 76 98 92 98 196 17.3 0.723 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1186 ?? Cotinine 36.1340 1760.3 >13 scans 26% TIC 1.1% 0.0123% 5463 0.9 89 45281 0.0254% 786692 730966 1620170 0-2 0.508 36.19 -89.5 61 85 67 89 176 32.5 13.250 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5330 1766.0 7.5 scans 82% TIC 0.11% 0.337% 5530 0.7 418 475520 21553123 19284061 4-2 0.959 36.58 449.5 78 97 94 99 369 66.6 2.536 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2019 1775.6 8.4 scans 70% 209 m/z 0.15% 0.159% 5644 1.1 275 338580 10184275 9628094 4-2 19: 209 224 181 210 165 167 105 166 225 103 179 194 91 77 115 152 193 182 119 0.900 37.20 449.3 78 99 87 98 224 90.7 10.895 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1028 Contamination 38.59min 38.5868 1795.4 7.9 scans 89% 73 m/z 0.079% 0.457% 5878 1.1 478 675334 29170067 27528278 3-2 20: 73 429 147 221 355 430 281 341 431 207 356 401 357 222 74 295 459 325 267 223 0.975 38.59 447.3 80 99 97 99 429 142.1 8.833 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1016 Octadecane 38.8164 1798.7 8.8 scans 57% 55 m/z (239) 1.3% 0.0297% 5917 1.1 112 38854 1897511 1742505 1-2 19: 55 70 84 160 98 113 145 168 69 211 169 126 39 54 182 154 141 86 155 0.886 38.91 -1.3 83 94 86 93 254 10.1 0.000 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4434 1866.1 7.5 scans 61% 74 m/z 0.57% 0.0454% 6023 1.0 159 93720 2901266 2636935 2-2 18: 74 87 213 143 43 55 75 41 256 57 225 59 129 88 101 97 157 199 0.857 39.45 504.6 70 94 79 92 256 25.5 2.585 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1018 Neophytadiene 39.7598 1905.4 7.9 scans 93% 68 m/z 0.13% 0.617% 6077 0.9 562 405635 39406247 37446418 2-1 20: 68 95 82 123 69 57 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.994 39.94 536.3 80 99 99 99 278 30.1 0.287 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9027 1923.1 8.3 scans 94% 43 m/z 0.054% 1.20% 6101 0.7 766 980291 76811538 74036879 1-2 20: 43 58 71 59 57 85 55 109 95 69 41 110 124 83 123 81 56 70 97 96 0.994 39.88 554.8 78 97 99 98 250 83.8 1.197 0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN N406_R~1-N1110 Phytol 40.3850 1982.9 7.8 scans 83% 81 m/z (261) 0.37% 0.236% 6183 1.1 322 141042 15061054 12973630 9-4 19: 81 82 95 68 123 57 69 79 55 67 83 41 96 71 124 109 97 278 111 0.988 40.66 -34.3 91 97 97 97 278 36.6 1.295 -0.277 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5998 2009.5 7.5 scans 79% 221 m/z 0.25% 0.142% 6219 1.1 274 209703 9093118 8607442 2-2 20: 221 73 147 295 207 281 222 223 296 282 148 355 369 297 370 74 341 208 401 283 0.960 40.63 629.4 74 91 94 99 369 45.2 2.726 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1254 Phytol 40.8525 2040.8 7.9 scans 88% 82 m/z 0.25% 0.319% 6262 1.1 393 206233 20362074 18544886 2-5 20: 82 81 95 68 123 57 43 83 69 55 79 67 41 71 96 97 109 124 278 111 0.976 40.87 -1.9 98 98 97 98 278 51.8 1.735 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BQLD_R~1-N1056 ? Homosalate 40.9942 2058.4 8.2 scans 32% 138 m/z (84) 2.8% 0.0152% 6286 0.9 85 19001 975629 919537 1-1 15: 138 120 109 121 69 124 139 92 93 246 65 122 39 241 110 0.925 41.00 672.6 74 98 91 99 262 10.3 1.486 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2811 2094.0 9.5 scans 90% TIC 0.029% 2.40% 6334 0.6 1007 1837997 2.51% 153332729 142598515 160103417 2-0 0.966 41.26 3.0 96 96 91 97 264 78.9 0.615 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0827 2152.7 13.7 scans 97% 87 m/z 0.010% 6.34% 6470 0.3 1387 5163893 404812660 394764858 1-1 20: 87 143 55 43 75 41 69 57 239 83 185 171 97 101 71 213 115 56 84 42 0.999 42.01 750.7 79 98 99 98 272 38.2 0.076 0.072 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3342 2166.8 7.7 scans 82% 73 m/z 0.16% 0.224% 6513 1.0 340 332865 14335371 13385290 2-3 20: 73 147 281 221 355 429 503 207 341 282 504 356 222 148 283 415 505 295 461 431 0.959 42.37 757.8 74 92 93 98 503 58.5 2.966 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 42.6872 2186.6 7.9 scans 16% 149 m/z (95) 1.4% 0.00658% 6573 0.8 55 36324 420212 382212 3-1 7: 149 205 150 76 223 104 209 0.821 40.31 811.7 64 92 72 91 223 10.3 3.529 2.382 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN HCMIX_~1-N1020 ? Icosane 43.8408 2251.4 9.3 scans 39% 57 m/z (251) 2.9% 0.0174% 6768 1.1 85 17968 1115756 956327 1-2 20: 57 71 85 43 169 127 55 155 41 84 99 72 197 56 97 69 70 126 83 42 0.824 43.94 -5.3 71 89 86 85 282 4.9 0.000 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2994 2277.6 7.1 scans 44% 221 m/z 1.0% 0.0250% 6846 1.1 116 51059 0.0411% 1600541 1483988 2621614 2-0 19: 221 73 147 295 207 281 222 369 148 296 355 370 297 371 282 283 341 223 75 0.763 44.32 830.3 72 94 71 98 369 24.4 4.411 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7912 2363.5 7.5 scans 79% 73 m/z (69) 0.43% 0.0871% 7098 1.1 208 124128 5560876 5193963 2-2 20: 73 355 147 221 281 356 357 207 222 282 415 295 148 74 283 223 503 401 431 267 0.937 45.78 0.9 97 99 93 98 503 19.8 0.902 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9896 2374.9 10.5 scans 74% 74 m/z 0.016% 3.14% 7132 0.5 1104 3233718 200596901 189719957 2-3 20: 74 87 255 143 43 298 75 69 199 57 83 97 129 101 71 88 185 213 256 56 0.950 45.92 896.2 79 98 98 99 298 201.3 3.327 0.070 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN TAB_REP1-N1230 C18:3-butanoate 46.1696 2385.2 12.4 scans 78% 79 m/z (74) 0.027% 3.51% 7162 0.5 1053 1931364 224516244 206804564 1-4 20: 79 67 93 95 80 81 91 107 94 77 121 135 149 78 122 105 136 66 65 292 0.974 46.13 2.0 92 93 92 97 292 88.1 0.700 0.036 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7652 2419.5 8.1 scans 88% TIC 0.077% 0.487% 7263 1.1 478 694383 31105319 27339455 7-5 0.965 46.76 924.4 79 99 97 99 298 90.1 3.544 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9353 2544.4 7.6 scans 66% 73 m/z (87) 1.2% 0.0283% 7631 1.0 119 43297 1805432 1653697 2-3 19: 73 147 355 221 429 281 430 356 207 148 341 222 357 282 131 295 503 401 342 0.865 48.95 994.0 70 94 89 98 429 33.2 7.730 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3562 2626.2 7.9 scans 92% 74 m/z 0.068% 0.596% 7872 0.9 547 781925 38074692 35185008 2-3 20: 74 87 43 143 75 326 55 57 69 283 41 83 97 71 129 199 101 227 59 327 0.982 50.36 1039.2 78 97 98 99 326 107.6 3.870 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP4a.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8557 2712.4 7.6 scans 50% 73 m/z 2.3% 0.0119% 8125 1.2 79 22465 759169 689695 3-3 20: 73 147 429 221 355 281 503 222 356 295 369 431 207 148 208 341 357 282 327 296 0.727 51.86 1081.5 74 97 74 94 503 14.0 3.116 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2798 775.7 >27 scans 70% 77 m/z 0.15% 0.123% 67 2.3 141 248445 7547088 6871782 1-1 8: 77 45 62 63 79 76 46 75 0.917 4.37 21.7 99 100 89 99 77 126.5 80.432 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.3329 829.1 >15 scans 64% TIC 0.83% 0.0149% 414 0.2 73 46143 0.0209% 910749 797129 1272246 0-9 0.889 6.03 -132.5 73 95 87 95 102 8.4 0.000 0.300 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5921 835.9 >21 scans 74% 207 m/z 0.40% 0.0469% 458 2.9 101 93866 2855134 2591545 2-2 17: 207 208 209 96 191 133 163 161 87 189 103 149 132 193 75 162 178 0.875 6.53 -140.9 80 100 86 99 207 77.8 58.755 0.064 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6895 864.4 8.6 scans 80% 55 m/z 1.0% 0.0478% 644 2.1 134 35147 2910108 2588712 2-3 19: 55 69 41 83 39 42 57 98 70 56 97 53 80 43 79 54 68 51 38 0.916 7.71 9.1 99 99 92 99 98 30.8 5.292 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2398 982.9 14.0 scans 39% 281 m/z 0.38% 0.0533% 1415 2.4 118 99385 3245085 2950648 7-2 20: 281 43 282 283 99 71 134 249 284 41 55 125 195 191 133 267 53 207 251 68 0.560 12.22 36.6 90 96 68 99 281 80.0 46.143 0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2433 1009.4 11.5 scans 90% TIC 0.10% 0.199% 1585 2.0 242 353348 12161424 10579931 2-3 0.981 13.22 45.8 92 97 96 99 110 67.0 7.672 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1016 Limonene 13.9151 1027.6 8.2 scans 91% 68 m/z 0.094% 0.402% 1699 1.2 414 406882 24524460 21844257 2-6 20: 68 93 67 79 94 121 136 92 107 91 77 53 39 41 80 81 95 65 105 108 0.975 13.89 52.3 92 100 98 100 136 84.6 4.164 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.2121 1035.7 >18 scans 53% 107 m/z (55) 2.6% 0.0168% 1749 1.0 61 14365 1022825 910294 1-2 11: 107 108 89 105 90 63 80 51 62 91 65 0.902 14.11 56.7 87 98 86 98 108 28.5 22.103 0.103 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4564 1042.3 10.6 scans 90% 91 m/z 0.071% 0.230% 1790 1.7 267 534960 14040376 12260986 3-3 20: 91 92 120 65 63 39 89 51 121 50 62 64 93 74 38 66 76 85 61 40 0.984 14.44 57.5 91 100 98 100 120 87.2 10.671 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0208 1057.6 8.0 scans 33% 70 m/z (99) 7.9% 0.00538% 1886 1.3 48 4809 328056 294088 1-3 17: 70 41 55 83 98 97 69 53 39 57 42 84 93 68 66 58 67 0.821 18.83 4.9 74 79 75 80 122 0.0 0.000 -3.809 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1861 1062.0 >10 scans 92% TIC 0.090% 0.188% 1914 0.8 273 423013 11458700 11135242 1-0 0.986 15.17 64.6 89 100 99 100 123 96.4 12.433 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2428 1063.6 11.5 scans 2.6% 53 m/z (105) 2.1% 0.00967% 1924 0.7 54 17707 588739 557703 1-5 5: 53 94 109 110 297 0.531 16.11 -206.6 71 97 76 97 109 31.2 33.628 -0.866 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN 98-86-2 ? Acetophenone 15.2811 1064.6 9.7 scans 84% 105 m/z 0.035% 0.514% 1930 1.1 446 1082977 0.568% 31339966 27610683 34575880 4-3 20: 105 77 120 51 106 78 50 43 74 76 63 75 39 91 65 62 52 38 121 89 0.994 15.29 -181.1 79 98 98 99 120 158.8 12.667 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4364 1068.8 9.6 scans 66% 95 m/z 0.16% 0.151% 1956 1.8 231 239545 9242877 8143492 2-3 19: 95 81 124 79 43 53 109 39 41 82 65 96 67 66 55 125 63 54 123 0.925 15.43 67.1 84 97 91 96 124 71.6 9.587 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1002 ?? Undecane 16.6088 1100.9 9.4 scans 14% 57 m/z (61) 2.5% 0.0167% 2155 1.4 79 15011 1019416 926778 2-1 18: 57 71 41 111 55 85 70 93 69 97 84 60 98 83 99 68 100 82 0.504 16.59 0.9 62 78 57 83 156 6.4 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7853 1108.4 9.1 scans 67% 57 m/z (150) 0.56% 0.107% 2185 1.3 190 67501 6569537 5681176 6-3 16: 57 41 56 55 98 70 82 68 44 69 95 67 39 72 54 114 0.975 16.82 86.0 79 98 98 99 124 11.6 0.374 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9695 1116.2 8.8 scans 68% 71 m/z 0.27% 0.0966% 2216 1.6 202 139257 5881067 5523292 1-3 19: 71 95 110 43 58 128 126 41 55 85 84 69 57 72 70 111 42 106 97 0.916 16.97 91.5 74 89 90 98 128 49.7 6.064 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0787 1163.0 10.7 scans 68% 73 m/z 0.56% 0.0479% 2404 1.8 132 68584 2918762 2747957 4-3 20: 73 269 253 155 170 205 249 268 74 252 359 154 75 237 194 250 177 189 341 235 0.864 18.13 -168.7 79 99 82 98 355 61.3 21.427 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.1307 1165.2 >2 scans 16% 179 m/z (191) 4.6% 0.00162% 2413 3.4 43 8243 0.0120% 98964 86191 730476 0-1 4: 179 323 250 194 0.737 18.09 123.6 60 89 61 87 355 21.1 23.725 0.039 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN M4942-N1002 ? Pyranone 18.4494 1178.7 10.4 scans 41% 144 m/z (191) 1.1% 0.0231% 2467 1.0 89 33311 1406568 1318852 3-5 7: 144 44 72 101 45 145 58 0.542 20.04 -211.8 73 98 64 97 144 46.3 26.993 -1.593 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7104 1189.7 8.3 scans 50% 98 m/z (134) 1.9% 0.0290% 2511 1.2 112 20029 1770321 1599315 2-1 20: 98 55 69 111 82 43 41 70 67 97 107 126 125 83 79 39 112 110 137 71 0.951 18.71 138.9 75 98 95 100 153 4.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1342 1207.6 9.4 scans 11% 81 m/z (86) 1.3% 0.0141% 2583 1.3 72 28207 862728 785746 4-0 2: 81 54 0.872 19.12 150.5 73 98 91 99 97 10.4 2.071 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.2582 1212.8 10.7 scans 1.5% 119 m/z (126) 4.9% 0.00347% 2604 1.0 35 7704 211455 190755 5-0 3: 119 134 91 0.786 13.76 13.3 74 81 66 80 134 14.2 16.434 5.501 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8367 1237.3 >17 scans 23% TIC 0.15% 0.0915% 2702 0.8 254 252523 5573588 5135763 1-1 0.839 19.81 169.8 76 99 93 98 144 7.5 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1266 Octanoic acid 20.3373 1258.2 >20 scans 93% 60 m/z 0.056% 1.76% 2787 0.1 628 679662 107215807 98087360 1-5 20: 60 69 85 55 73 41 97 101 87 115 57 43 88 45 39 82 83 42 56 98 0.995 22.03 -50.9 85 89 91 98 175 0.0 0.000 -1.697 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5339 1264.1 8.4 scans 73% 57 m/z (110) 1.2% 0.0494% 2820 1.0 144 31242 3007416 2758087 3-2 19: 57 41 55 43 70 82 71 68 67 81 44 112 83 56 96 69 95 84 42 0.974 16.82 -27.3 72 77 85 78 124 4.3 0.000 3.719 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5345 1264.1 8.6 scans 70% TIC 1.2% 0.0392% 2820 1.0 141 29680 2386819 2226451 3-2 0.917 20.56 185.4 79 99 97 99 128 13.2 0.878 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1006 ? Arosol 21.0676 1280.1 9.3 scans 75% 94 m/z 0.082% 0.174% 2910 0.9 258 464508 10620892 9637909 3-5 15: 94 138 77 66 95 51 65 45 139 78 50 63 38 76 62 0.941 20.98 195.1 78 98 89 97 152 0.0 0.000 0.085 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 21.4731 1292.3 26.9 scans 35% 122 m/z (134) 1.5% 0.0296% 2979 1.3 69 24503 1802291 1697266 3-0 6: 122 77 74 105 123 60 0.788 20.03 221.6 71 96 88 95 122 35.5 26.823 1.444 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.6839 1298.6 >8 scans 17% TIC 2.9% 0.000986% 3015 1.0 44 13082 60006 60006 0-0 0.526 12.25 145.5 67 90 46 94 281 29.0 43.847 9.433 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0068 1308.3 8.3 scans 17% 175 m/z (43) 0.86% 0.0148% 3069 1.3 80 44627 901725 837675 2-3 5: 175 190 176 130 128 0.735 22.01 207.9 70 94 70 97 190 22.5 7.914 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1042 ?? Phytol 22.5174 1323.6 8.6 scans 45% 70 m/z (125) 4.2% 0.0128% 3156 1.0 72 9094 784177 689550 2-3 19: 70 55 43 41 97 81 83 84 68 111 98 39 67 56 99 93 153 107 53 0.721 35.35 26.2 60 73 62 71 196 0.0 0.000 -12.830 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9212 1335.8 10.7 scans 73% 43 m/z (57) 0.30% 0.115% 3224 1.0 194 127620 7055939 6385514 6-5 17: 43 69 109 86 41 110 127 170 39 95 58 99 53 155 87 59 44 0.947 22.91 222.2 73 97 91 96 127 27.8 2.054 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 24.0818 1371.3 15.2 scans 48% 60 m/z (341) 0.44% 0.151% 3421 1.0 189 87034 9227334 8455880 2-2 17: 60 57 115 41 55 43 61 69 83 39 87 101 56 130 96 102 54 0.895 22.70 -104.0 74 96 95 99 158 13.4 0.505 1.386 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1001 1372.0 7.2 scans 39% 341 m/z 0.25% 0.0689% 3425 0.9 189 150012 4197745 3858068 2-4 16: 341 342 325 343 430 147 431 326 207 344 267 432 251 75 311 345 0.682 24.17 -151.8 79 99 62 99 429 68.7 13.211 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7672 1394.2 9.0 scans 64% 43 m/z 0.89% 0.0309% 3537 1.0 121 43125 1886442 1822993 3-1 20: 43 83 142 55 41 82 85 58 69 56 111 71 108 113 67 39 93 100 127 68 0.903 24.70 254.6 71 91 84 96 170 1.9 0.000 0.071 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2890 1411.7 6.9 scans 43% 43 m/z (60) 0.98% 0.00941% 3626 0.9 69 38827 573237 511147 8-0 8: 43 145 103 116 115 86 74 73 0.983 25.24 -148.2 77 99 97 99 145 26.3 14.551 0.047 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1004 Nicotine 25.6379 1423.3 >21 scans 96% TIC 0.0051% 13.2% 3685 0.1 1585 7431632 806739947 758102974 1-1 1.000 25.89 266.3 80 99 99 99 162 456.2 8.288 -0.254 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1001 1472.2 6.8 scans 20% 221 m/z 1.7% 0.0103% 3932 1.4 76 21688 630153 575533 3-3 16: 221 73 281 267 355 282 356 148 443 444 445 268 357 205 323 251 0.807 27.12 297.3 74 96 76 94 355 16.5 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.7 scans 70% 57 m/z (183) 0.44% 0.0554% 3944 1.2 156 85844 0.0698% 3375534 3071657 4248937 2-0 19: 57 71 43 85 41 55 56 70 99 42 69 112 113 98 126 72 83 199 86 0.977 27.21 -1.3 93 96 96 96 198 20.4 1.698 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1032 Myosmine 27.9579 1504.0 8.7 scans 80% 118 m/z 0.12% 0.176% 4078 1.0 277 301326 10735437 9554726 2-7 20: 118 146 145 105 78 58 51 119 147 104 117 91 65 63 42 41 39 77 50 76 0.972 27.93 317.3 80 99 96 99 146 120.8 19.072 0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3865 1520.1 8.4 scans 73% 80 m/z 0.15% 0.0961% 4150 0.9 210 254103 5852417 5540704 2-2 19: 80 171 104 53 170 78 172 91 77 81 103 51 65 115 79 39 105 167 168 0.915 28.39 326.7 78 98 91 97 171 96.1 20.969 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6610 1530.4 7.9 scans 85% 43 m/z (166) 0.086% 0.324% 4197 1.1 373 441943 19748439 17766139 7-4 20: 43 69 41 151 107 136 67 125 93 109 53 83 81 121 39 68 108 105 79 77 0.990 28.67 333.0 77 99 99 99 194 23.9 0.409 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0878 1546.4 7.6 scans 71% 71 m/z (165) 0.34% 0.0866% 4269 1.0 202 111077 5271792 4923401 1-1 20: 71 57 43 85 41 70 55 141 99 113 56 112 84 183 97 127 72 140 155 58 0.955 29.10 342.5 69 93 92 91 227 3.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1010 ?? Pentadecane 29.0896 1546.5 8.1 scans 72% TIC 0.32% 0.0757% 4269 1.0 204 117790 4611317 4355139 1-1 0.937 30.38 -48.4 67 78 86 80 212 5.4 0.000 -1.287 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5211 1562.7 9.1 scans 79% TIC 0.15% 0.189% 4342 1.3 290 240428 11509605 10537101 4-1 0.962 29.61 -150.4 79 99 94 99 503 48.7 2.825 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6616 1568.0 10.9 scans 51% 158 m/z 0.019% 1.07% 4366 0.7 620 1957929 65624135 61904683 2-2 20: 158 157 130 159 117 116 89 63 156 131 90 51 143 142 42 50 128 64 102 75 0.821 29.68 355.4 78 99 85 99 158 355.2 32.778 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7696 1572.1 7.7 scans 88% 123 m/z (104) 0.022% 0.527% 4385 0.9 501 1722174 32115534 30735809 0-2 20: 123 43 135 124 107 95 91 41 109 79 55 77 39 69 81 53 97 67 93 125 0.996 29.77 358.1 77 97 96 99 193 41.1 0.674 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5134 1600.6 7.7 scans 72% 191 m/z (104) 0.11% 0.106% 4511 1.1 221 336992 6467111 6050427 2-2 16: 191 206 192 57 175 74 115 41 107 88 73 147 128 117 193 121 0.975 30.50 375.8 78 99 96 99 206 59.0 7.099 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8304 1614.0 9.9 scans 35% 124 m/z (176) 0.75% 0.0339% 4564 1.0 110 50978 2067937 1896653 2-7 4: 124 137 180 138 0.940 30.81 384.6 69 92 85 92 180 30.8 7.818 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8918 1616.5 9.6 scans 48% 162 m/z (171) 0.16% 0.187% 4575 1.1 263 230144 11427047 10320163 2-2 20: 162 147 161 105 77 148 51 163 103 63 104 115 119 79 133 145 78 131 50 76 0.582 30.88 0.5 82 90 69 91 204 12.8 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9361 1618.4 7.8 scans 10% 171 m/z (62) 0.93% 0.0149% 4582 1.6 79 41170 907396 818924 3-2 4: 171 172 173 156 0.929 30.93 0.4 92 95 80 95 171 51.5 42.540 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2466 1631.4 11.0 scans 83% TIC 0.033% 1.09% 4635 0.6 610 1145154 66535804 59329949 2-5 0.945 31.18 396.4 78 99 96 98 180 136.1 4.984 0.069 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5022 1642.2 9.0 scans 45% 43 m/z (149) 1.0% 0.0281% 4679 1.1 104 37393 1713633 1547591 1-2 10: 43 111 82 152 182 127 123 157 169 53 0.840 31.52 -0.5 84 89 90 90 166 23.4 5.045 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8086 1655.1 8.0 scans 21% 208 m/z (85) 1.0% 0.0119% 4729 0.7 74 35262 728125 726991 0-1 5: 208 138 209 75 194 0.725 31.80 0.6 62 71 36 77 208 17.1 5.333 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0737 1666.2 6.6 scans 54% 221 m/z (123) 0.62% 0.0322% 4775 1.0 131 61735 1960269 1812665 2-7 19: 221 73 147 295 222 207 223 341 355 325 342 327 343 281 296 267 148 224 74 0.919 32.08 -0.2 95 98 93 98 355 22.8 3.008 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 8.1 scans 49% 57 m/z (98) 0.74% 0.0454% 4836 1.2 138 51797 2768337 2509976 1-2 16: 57 85 71 56 43 41 197 196 55 113 99 72 141 168 198 42 0.932 32.44 -0.3 82 88 89 87 226 5.7 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6835 1691.8 8.7 scans 46% 205 m/z (171) 2.2% 0.0435% 4878 0.8 133 17335 2653540 2447980 3-4 7: 205 162 202 187 174 177 134 0.867 32.67 0.3 89 95 84 94 220 8.3 0.389 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9291 1702.1 7.8 scans 52% 71 m/z 0.13% 0.0685% 4920 0.8 180 287029 4174948 3757113 4-2 12: 71 43 159 111 243 56 72 155 173 143 89 244 0.862 32.93 -0.2 96 97 93 97 243 31.2 2.997 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3033 1717.9 7.5 scans 66% 57 m/z (135) 0.41% 0.0686% 4983 0.7 170 93130 4176919 3841831 3-1 17: 57 71 43 85 41 99 56 70 42 113 84 98 141 58 112 72 168 0.951 33.37 -2.9 92 98 94 97 226 20.3 1.425 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1212 ? Hexadecene 33.5099 1722.8 8.8 scans 28% 43 m/z (165) 3.4% 0.0128% 5018 1.1 75 11076 782403 782403 0-0 20: 43 61 56 55 84 70 85 69 83 195 155 140 96 71 54 98 67 82 97 126 0.907 33.09 14.1 79 84 83 85 224 0.0 0.000 0.425 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2691 1733.6 7.9 scans 30% 57 m/z (111) 1.9% 0.0127% 5146 0.9 78 19342 775047 766187 1-0 17: 57 71 85 41 99 43 211 98 210 56 182 141 58 127 72 70 44 0.846 34.27 0.0 86 94 88 92 211 14.5 3.416 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3612 1734.9 8.5 scans 94% 355 m/z 0.023% 1.47% 5162 1.1 812 1612967 89700998 85116547 2-2 20: 355 73 221 147 281 401 357 282 222 415 267 74 283 207 358 148 223 325 75 149 0.987 34.39 451.9 81 100 98 100 415 98.1 1.462 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7685 1740.8 11.6 scans 86% 91 m/z 0.042% 0.630% 5231 0.5 456 909437 38363015 36579566 2-2 19: 91 155 199 90 65 184 92 120 89 44 137 63 106 77 39 64 134 200 51 0.968 34.79 451.8 80 99 96 99 199 131.5 8.315 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8972 1742.6 8.8 scans 44% 69 m/z (71) 1.1% 0.0424% 5253 1.8 122 33614 2585520 2360359 2-2 15: 69 68 83 97 111 41 82 70 56 67 154 84 112 125 96 0.910 34.90 -0.1 87 93 84 94 224 16.2 1.763 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6930 1754.0 8.8 scans 63% 123 m/z (70) 0.21% 0.120% 5388 1.0 218 178656 7321897 6628813 2-5 20: 123 43 193 209 224 105 210 175 167 165 195 91 109 79 77 95 194 166 149 121 0.876 35.70 451.3 75 99 90 98 224 34.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.3 scans 59% 209 m/z 0.24% 0.0744% 5643 1.0 185 157928 4530370 4301119 2-1 20: 209 224 181 210 165 167 105 166 194 103 77 91 115 178 193 152 182 191 89 128 0.870 37.20 449.2 79 99 85 99 224 62.0 11.170 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0549 1787.8 7.8 scans 58% 57 m/z (73) 0.60% 0.0493% 5788 1.0 151 63549 3002666 2879833 2-1 18: 57 71 85 43 56 225 41 99 55 224 87 113 69 70 42 141 226 155 0.930 38.06 448.1 73 98 94 98 225 30.5 4.096 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5762 1795.2 8.4 scans 91% 73 m/z 0.039% 0.766% 5876 1.2 589 983663 46666342 44614568 2-1 20: 73 429 147 221 355 430 281 207 356 357 74 148 342 267 282 325 223 432 343 402 0.981 38.59 447.1 80 99 97 99 429 173.7 8.684 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8164 1798.7 10.1 scans 50% 71 m/z (239) 0.74% 0.0457% 5917 0.9 130 51691 2786519 2561558 1-2 19: 71 85 43 41 56 99 55 169 70 168 113 141 183 84 154 58 98 178 155 0.915 38.91 -1.3 87 95 90 93 254 12.8 0.974 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4434 1866.1 7.6 scans 69% 74 m/z 0.24% 0.0842% 6023 1.0 209 154336 5126712 4895732 2-2 19: 74 87 43 143 55 75 213 41 256 69 59 225 129 101 88 199 83 97 157 0.891 39.45 504.6 66 91 81 91 256 32.4 2.395 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1018 ? Neophytadiene 39.7556 1904.8 7.3 scans 88% 68 m/z 0.20% 0.275% 6076 0.9 381 189921 16766396 15790053 11-1 20: 68 95 82 123 69 57 55 81 43 67 83 41 97 71 96 109 124 79 56 110 0.976 39.94 535.7 79 99 97 98 278 21.1 0.305 -0.180 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8808 1920.4 7.5 scans 78% 43 m/z 0.31% 0.128% 6097 1.0 260 122782 7824523 7142103 1-7 20: 43 58 71 59 57 85 109 55 69 95 41 110 124 83 81 56 123 70 250 113 0.945 39.88 552.1 78 98 95 97 250 28.8 1.226 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3046 1972.9 8.2 scans 57% 149 m/z (73) 0.14% 0.0713% 6169 1.0 176 264189 4342326 3959193 2-6 14: 149 223 150 104 76 205 65 93 132 167 121 405 50 122 0.949 40.31 598.0 77 99 96 99 223 39.9 5.132 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6039 2010.0 6.8 scans 49% 221 m/z (127) 1.1% 0.0210% 6219 1.1 105 34076 1279229 1222321 1-2 19: 221 73 147 295 207 281 222 369 223 267 148 341 356 283 265 282 208 401 74 0.876 40.63 629.9 72 99 89 98 369 18.0 2.910 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 40.6164 2011.6 >5 scans 41% 279 m/z 1.2% 0.0124% 6221 999.0 94 31961 0.0181% 758184 665323 1101802 0-2 13: 279 370 265 191 228 415 357 356 325 45 385 249 266 0.774 36.58 695.1 70 94 73 93 369 17.1 3.307 4.037 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1254 Phytol 40.8489 2040.4 18.9 scans 39% TIC 2.1% 0.0134% 6261 1.0 96 17669 0.0227% 816746 753054 1381818 3-0 0.735 40.87 -2.3 87 91 64 89 278 15.4 2.570 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9883 2057.7 8.1 scans 45% 138 m/z 0.80% 0.0311% 6285 1.1 131 47527 1894239 1753990 1-1 16: 138 120 109 69 121 124 83 139 65 93 246 82 39 63 81 262 0.841 41.00 671.9 76 99 87 98 262 18.6 2.002 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2740 2093.1 9.3 scans 91% TIC 0.022% 2.29% 6333 0.6 973 1692700 2.40% 139771123 134522993 146095268 1-0 0.962 41.26 2.1 96 96 91 97 264 76.5 0.619 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4652 2116.8 7.6 scans 56% 205 m/z (74) 0.33% 0.163% 6366 0.8 280 115691 9930063 9470019 2-1 20: 205 217 57 175 189 220 177 232 261 191 91 203 192 206 233 115 135 161 176 77 0.927 41.49 -79.8 81 99 85 98 276 20.8 0.552 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0904 2153.1 15.2 scans 97% 74 m/z 0.0069% 7.73% 6472 0.2 1444 5504693 470562722 459327347 1-1 20: 74 87 143 43 55 41 57 129 185 97 171 101 199 71 213 98 157 84 67 73 1.000 42.01 751.1 79 98 99 98 272 39.6 0.075 0.079 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3401 2167.1 7.5 scans 70% 73 m/z 0.29% 0.0853% 6514 1.2 204 129575 5194608 4740504 3-4 20: 73 147 281 221 429 355 503 207 341 282 430 283 222 356 504 148 415 295 431 357 0.905 42.37 758.1 74 96 90 98 503 36.1 3.114 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.3100 2221.6 11.7 scans 10% 263 m/z (105) 3.4% 0.00332% 6678 1.1 33 11183 202660 180576 2-3 12: 263 147 173 57 187 279 157 161 124 155 126 104 0.399 43.31 0.2 62 75 17 70 278 10.8 11.109 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN HCMIX_~1-N1020 ? Icosane 43.8366 2251.1 >9 scans 49% 99 m/z (179) 1.5% 0.0234% 6768 2.3 100 24281 1426158 1376545 0-1 15: 99 69 70 238 126 268 86 72 84 41 97 251 250 154 58 0.877 43.94 -5.6 70 79 86 91 282 7.4 0.540 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7930 2363.6 10.0 scans 58% TIC 1.0% 0.0264% 7099 1.6 107 36349 1609342 1474577 2-2 0.836 45.78 1.0 95 96 80 95 503 11.1 1.067 0.017 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1026 ? Methyl stearate 46.0073 2375.9 11.4 scans 70% 74 m/z (194) 0.0098% 4.43% 7135 0.4 1186 3896751 269927968 247290906 3-2 20: 74 87 255 143 43 55 75 199 57 69 41 83 97 129 101 71 88 256 111 299 0.945 45.92 897.2 75 98 97 98 298 219.7 0.000 0.087 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1814 2385.9 12.8 scans 76% 79 m/z (83) 0.017% 4.42% 7165 0.4 1144 2227511 269198313 256459696 2-2 20: 79 93 108 80 91 107 94 77 121 135 78 122 105 136 66 65 92 173 131 106 0.969 46.13 2.7 92 93 92 97 292 97.6 0.728 0.047 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7700 2419.8 8.1 scans 90% 74 m/z 0.042% 0.679% 7264 0.8 561 904938 41374699 38727735 2-3 20: 74 87 143 43 55 75 255 41 57 69 199 83 129 267 59 101 88 71 185 299 0.974 46.76 924.7 78 98 98 99 298 105.7 3.549 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6773 2472.0 7.5 scans 19% 221 m/z (79 55) 5.2% 0.00490% 7418 1.2 45 7352 298288 244019 2-6 7: 221 147 369 370 222 148 296 0.707 44.32 1024.7 61 94 72 93 369 10.8 5.801 3.357 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9264 2543.9 9.0 scans 62% TIC 1.3% 0.0166% 7630 1.0 97 28908 0.0249% 1012852 967403 1515738 1-0 0.855 48.95 993.5 72 94 83 98 429 27.4 8.052 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3592 2626.3 7.6 scans 94% 74 m/z 0.035% 0.890% 7872 1.0 654 1092156 54200184 50861430 2-3 20: 74 87 43 143 326 75 55 57 69 283 41 83 97 129 71 227 101 199 59 327 0.986 50.36 1039.3 78 97 98 99 326 131.7 4.049 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8385 2711.4 8.3 scans 44% 73 m/z 1.5% 0.0157% 8123 1.2 84 25538 961171 885174 5-4 19: 73 147 355 221 430 356 429 281 282 222 503 295 341 369 504 431 415 267 297 0.706 51.86 1080.5 75 98 70 95 503 14.2 2.883 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2383 774.6 >23 scans 77% 77 m/z 0.16% 0.133% 59 2.2 159 230701 6179940 5674367 0-3 13: 77 45 79 44 76 63 59 75 58 46 86 61 71 0.973 4.37 20.6 100 100 99 100 77 136.3 73.576 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5896 835.8 >22 scans 79% 207 m/z 0.50% 0.0501% 457 3.1 102 73224 2314411 2213809 1-1 19: 207 208 209 96 81 119 177 133 193 163 87 192 88 147 103 189 61 59 211 0.908 6.53 -141.0 80 100 89 99 207 76.8 56.867 0.062 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6876 864.4 8.4 scans 76% 69 m/z 1.5% 0.0392% 644 2.2 119 23277 1809595 1576798 2-3 19: 69 41 55 83 42 39 57 98 70 97 53 56 80 43 54 38 81 79 50 0.874 7.71 9.1 98 99 88 98 98 28.6 5.784 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1016 ?? Pivalic acid 9.3535 907.8 >7 scans 45% TIC 3.6% 0.00153% 926 0.0 43 10299 0.00568% 70749 70749 262204 0-0 0.800 6.03 -53.8 62 72 67 83 102 0.0 0.000 3.320 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8417 998.6 14.3 scans 64% TIC 0.50% 0.0577% 1517 1.6 147 73905 2664429 2601553 1-0 0.823 12.22 52.3 86 94 48 99 281 77.1 27.392 0.622 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2467 1009.5 9.6 scans 73% 81 m/z 0.28% 0.0819% 1586 1.8 168 128674 3782919 3504337 1-3 19: 81 110 53 39 79 41 67 68 77 82 51 65 54 66 38 109 52 40 111 0.919 13.22 45.9 90 96 91 98 110 50.2 8.887 0.025 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1022 ?? Octanal 13.4758 1015.7 8.4 scans 47% 57 m/z (71) 6.2% 0.0122% 1624 1.7 67 5960 566872 497798 1-3 12: 57 84 56 41 85 55 69 82 68 67 80 86 0.875 12.96 -159.1 61 90 85 90 110 5.1 0.000 0.521 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1016 Limonene 14.3860 1040.4 8.4 scans 96% 68 m/z 0.028% 1.79% 1779 0.9 842 1320671 82672666 75720313 2-7 20: 68 93 67 79 94 121 136 92 107 91 77 53 41 80 81 95 65 105 51 55 0.997 13.89 65.1 89 100 99 100 136 171.6 4.151 0.494 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6558 1047.7 >12 scans 46% 79 m/z (111) 3.0% 0.0129% 1824 1.3 59 12167 597744 515381 1-3 6: 79 108 80 90 74 106 0.839 14.11 68.7 80 97 85 96 108 27.2 21.259 0.547 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8748 1053.6 11.0 scans 88% TIC 0.094% 0.223% 1861 1.9 254 393329 10309065 9212367 2-3 0.970 14.44 68.8 87 99 97 99 120 83.3 10.781 0.433 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.3926 1067.6 8.2 scans 36% 70 m/z (43) 7.4% 0.00651% 1949 1.3 52 5001 300815 300610 0-1 15: 70 83 55 41 69 93 57 97 53 42 58 56 40 68 98 0.871 18.83 14.9 74 77 75 79 122 0.0 0.000 -3.437 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5514 1071.9 >11 scans 85% 105 m/z 0.12% 0.194% 1976 1.0 264 301028 8998022 8539982 2-0 20: 105 123 77 46 51 106 76 74 79 124 52 75 53 107 40 64 49 67 125 44 0.986 15.17 74.5 87 100 98 100 123 95.4 13.085 0.381 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.6098 1073.5 12.9 scans 2.2% 94 m/z (105) 3.1% 0.00958% 1985 0.7 48 11677 442510 384125 4-4 3: 94 109 110 0.321 16.11 -196.7 66 98 74 98 109 27.8 33.832 -0.499 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN 98-86-2 ? Acetophenone 15.6435 1074.4 9.4 scans 83% 105 m/z 0.042% 0.510% 1991 1.0 451 872144 0.564% 23561761 22102590 26035774 0-2 20: 105 77 120 51 50 106 43 78 74 121 76 63 75 39 52 62 65 91 38 89 0.991 15.29 -171.3 79 98 98 99 120 161.2 12.768 0.350 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7780 1078.1 9.2 scans 67% 95 m/z 0.17% 0.171% 2014 1.8 250 206484 7937216 7132202 2-3 19: 95 81 124 79 43 53 109 39 91 41 82 119 65 66 96 67 54 63 80 0.928 15.43 76.4 77 89 86 97 124 73.6 8.658 0.345 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.8802 1112.4 9.1 scans 9.5% 57 m/z 3.7% 0.00659% 2202 1.1 53 9967 304195 289361 4-0 10: 57 71 70 80 84 93 156 85 98 113 0.584 16.59 12.4 74 77 51 82 156 7.6 2.044 0.293 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0467 1119.4 9.4 scans 65% 57 m/z (111) 0.61% 0.120% 2229 1.1 196 59960 5575990 4883487 4-3 20: 57 41 56 55 70 98 82 69 68 44 95 67 96 81 39 42 71 54 83 45 0.992 16.82 -172.0 76 97 97 97 124 8.7 0.000 0.232 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2379 1127.5 9.0 scans 54% 71 m/z 0.32% 0.0990% 2262 1.6 190 114877 4573365 4315657 1-3 17: 71 95 110 58 128 55 85 57 84 69 39 72 126 68 53 113 120 0.708 16.97 102.8 75 99 84 99 128 50.6 7.101 0.270 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.3755 1133.3 14.0 scans 22% 91 m/z (60) 3.2% 0.00844% 2285 0.9 43 11429 389832 351625 1-3 7: 91 92 122 104 130 65 129 0.848 17.05 107.3 68 94 81 93 122 16.0 13.930 0.323 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2657 1170.9 9.9 scans 68% 73 m/z 0.43% 0.0642% 2436 1.6 152 84498 2966785 2807497 2-3 20: 73 267 355 356 268 357 269 251 74 339 75 205 163 270 249 237 207 59 253 195 0.868 18.13 -160.8 79 99 85 98 355 63.4 17.403 0.135 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.3359 1173.9 >3 scans 13% 269 m/z (87) 12% 0.00101% 2448 999.0 29 2920 0.0334% 46920 46920 1541835 0-0 1: 269 0.736 18.09 132.3 63 89 72 89 355 15.3 27.878 0.244 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 18.5502 1182.9 10.3 scans 20% 207 m/z (88) 7.9% 0.00625% 2484 1.5 47 4685 288785 266348 1-0 20: 207 125 70 107 282 168 57 281 74 83 283 193 265 55 69 84 56 82 58 53 0.627 12.25 29.8 71 80 30 81 281 19.4 17.185 6.299 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.6659 1187.8 9.1 scans 67% TIC 0.55% 0.0311% 2504 1.2 129 67220 1436182 1318676 1-1 0.924 18.22 144.3 70 89 81 93 144 48.0 13.926 0.445 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN M4942-N1002 ?? Pyranone 18.6665 1187.8 9.3 scans 64% 43 m/z 0.53% 0.0372% 2503 1.3 126 69068 1721104 1599801 1-3 20: 43 144 44 101 72 115 73 55 45 103 74 61 42 59 85 145 56 102 84 60 0.880 20.04 -202.7 69 89 74 88 144 48.9 15.090 -1.375 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9056 1197.9 8.4 scans 46% 98 m/z 2.1% 0.0222% 2544 0.9 104 17163 1029074 985805 1-0 20: 98 55 111 69 82 125 43 41 39 67 107 70 96 93 95 83 100 84 71 81 0.807 18.71 147.1 76 99 83 98 153 5.1 0.000 0.200 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2976 1214.5 9.0 scans 12% 81 m/z 0.91% 0.0205% 2611 0.9 85 40520 949954 785135 6-9 3: 81 54 38 0.689 19.12 157.4 75 100 70 98 97 14.7 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.4257 1219.9 10.2 scans 1.4% 119 m/z (127) 5.4% 0.00386% 2632 1.2 37 6797 178576 162726 3-0 3: 119 91 134 0.584 13.76 20.4 71 77 60 80 134 14.4 15.406 5.669 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1266 Octanoic acid 20.4552 1261.8 >18 scans 95% 60 m/z 0.062% 2.05% 2807 0.1 653 596994 94749770 80795257 3-4 20: 60 69 85 41 55 73 97 57 43 101 87 115 88 39 45 83 42 82 108 56 0.996 22.03 -47.3 86 89 91 99 175 0.0 0.000 -1.579 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6571 1267.8 8.5 scans 66% 57 m/z 1.4% 0.0430% 2841 1.0 142 24937 1986182 1838760 2-1 20: 57 41 55 70 82 71 68 43 81 56 112 44 83 67 96 69 42 84 39 109 0.938 20.56 189.1 77 99 97 99 128 12.8 0.816 0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1034 ? Decanal 20.6571 1267.8 8.5 scans 68% 57 m/z (110) 1.4% 0.0530% 2841 1.0 144 25391 2450588 2268695 2-1 20: 57 41 55 70 82 71 68 43 81 56 112 44 83 67 96 69 42 84 39 109 0.956 20.57 -139.2 76 99 97 99 138 7.2 0.250 0.088 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.1955 1284.0 9.5 scans 81% 94 m/z 0.064% 0.305% 2932 0.8 333 574753 14119847 12397775 5-3 18: 94 138 77 95 66 51 65 107 45 78 139 50 63 38 76 40 62 64 0.972 20.98 199.0 79 99 96 99 152 0.0 0.000 0.212 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.4240 1290.8 >14 scans 39% 105 m/z (47) 0.74% 0.0482% 2971 0.0 107 49524 0.0882% 2225225 2049857 4071552 2-0 6: 105 122 77 150 80 106 0.947 20.03 220.1 68 91 84 93 122 59.0 30.607 1.395 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9978 1338.1 10.4 scans 75% 43 m/z (85) 0.30% 0.138% 3237 0.9 212 123122 6401256 5844770 5-5 17: 43 69 109 86 71 41 110 127 128 95 39 67 58 59 42 99 87 0.945 22.91 224.5 74 97 94 97 127 29.0 1.877 0.085 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1507 1373.6 >16 scans 38% TIC 0.081% 0.258% 3433 0.6 295 456322 0.556% 11923843 11239455 25666472 1-0 0.984 24.17 -150.2 79 98 94 98 429 66.1 5.010 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1016 ? Nicotine 24.2333 1376.4 >21 scans 75% 60 m/z 0.085% 0.809% 3447 0.1 435 434065 37381307 35650013 0-4 20: 60 73 57 115 55 41 129 43 98 69 39 87 45 61 101 83 56 42 70 74 0.831 25.35 227.2 75 95 78 97 162 0.0 0.000 -1.121 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 24.2333 1376.4 >11 scans 92% TIC 0.084% 0.595% 3447 0.2 481 440399 1.07% 27479794 25983616 49394110 0-5 0.992 22.70 -98.9 76 94 93 99 158 33.0 0.471 1.537 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.8207 1396.0 9.3 scans 59% 43 m/z 1.0% 0.0326% 3546 1.0 118 36145 1508146 1334813 4-2 20: 43 83 41 142 55 85 82 58 56 69 111 113 39 67 112 57 93 127 128 68 0.871 24.70 256.4 71 91 80 96 170 4.4 0.000 0.125 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.3508 1413.7 6.9 scans 44% 43 m/z 0.80% 0.0121% 3636 1.1 81 46228 560017 508694 10-0 9: 43 103 145 116 115 86 74 61 146 0.953 25.24 -146.2 77 99 92 98 145 30.8 14.321 0.109 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1004 Nicotine 25.7086 1425.7 >21 scans 97% 84 m/z 0.0046% 15.3% 3697 0.1 1677 7966911 708224918 694704431 0-1 20: 84 161 42 118 51 39 77 105 55 104 52 132 64 79 145 90 89 54 53 144 0.999 25.89 268.7 80 99 98 99 162 465.9 7.719 -0.183 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1944 1475.3 7.8 scans 55% TIC 0.66% 0.0213% 3948 1.3 135 55640 0.0446% 984395 939801 2058857 1-0 0.882 27.21 -0.5 94 95 85 93 198 17.4 1.663 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0079 1505.8 10.6 scans 80% 118 m/z 0.14% 0.224% 4086 1.5 278 248519 10377331 9757651 1-2 20: 118 146 145 105 58 78 51 119 104 147 41 42 63 65 39 91 77 64 50 90 0.957 27.93 319.1 79 99 95 99 146 122.7 19.399 0.077 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4135 1521.1 8.5 scans 80% 80 m/z 0.10% 0.184% 4155 1.0 280 356168 8497072 8015836 2-2 20: 80 171 104 53 170 78 172 77 91 83 81 51 65 103 39 105 79 52 63 168 0.940 28.39 327.7 79 99 94 98 171 124.3 19.707 0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6803 1531.1 8.0 scans 86% 43 m/z (166) 0.086% 0.411% 4200 1.1 403 427938 18992778 16688555 9-4 19: 43 69 41 136 107 151 67 125 93 109 83 53 68 81 39 105 121 108 77 0.990 28.67 333.7 77 98 99 99 194 25.8 0.410 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1010 ?? Pentadecane 29.1042 1547.0 7.8 scans 74% TIC 0.32% 0.0960% 4272 1.0 226 113943 4435201 4149819 1-2 0.948 30.38 -47.9 68 79 88 79 212 4.4 0.000 -1.273 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1034 ? Contamination 29.52min 29.5274 1563.0 7.6 scans 76% 73 m/z (344) 0.18% 0.165% 4343 1.0 273 199824 7619253 7148914 3-3 20: 73 281 147 327 282 415 341 283 221 148 328 399 74 329 416 325 207 342 504 503 0.940 29.52 352.9 76 97 94 97 503 39.0 2.036 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5286 1563.0 10.0 scans 75% TIC 0.18% 0.186% 4344 1.4 271 202464 8601714 7922273 2-1 0.946 29.61 -150.1 79 99 93 99 503 38.8 2.044 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1044 b-Ionone 29.6992 1569.4 9.4 scans 89% TIC 0.019% 2.07% 4373 0.5 907 1882585 95559563 89224396 2-1 0.972 29.68 356.9 80 99 96 99 192 70.2 0.599 0.022 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7878 1572.7 7.7 scans 85% 123 m/z 0.025% 0.559% 4388 0.9 514 1483305 25815607 24386633 1-3 20: 123 43 135 124 107 95 41 79 109 91 55 77 39 69 97 81 93 53 67 125 0.972 29.77 358.7 79 98 96 99 193 41.9 0.667 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5381 1601.7 7.7 scans 64% 191 m/z 0.093% 0.137% 4515 1.1 254 398842 6342225 5921525 2-2 18: 191 206 192 57 175 74 41 115 107 77 207 88 73 128 147 161 193 121 0.864 30.50 376.9 79 99 86 98 206 71.5 7.938 0.040 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8427 1614.5 9.9 scans 36% 124 m/z (95) 0.75% 0.0433% 4566 1.0 122 49090 2001348 1841048 3-5 8: 124 137 168 180 125 138 59 224 0.895 30.81 385.1 69 93 81 93 180 33.5 7.576 0.036 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.9188 1617.7 9.4 scans 71% 91 m/z (171) 0.11% 0.310% 4580 0.9 330 314720 14316453 12910796 4-8 18: 91 161 182 65 77 51 163 92 63 148 89 103 115 183 39 145 50 78 0.920 30.88 1.7 71 71 56 81 204 0.0 0.000 0.039 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9537 1619.1 8.3 scans 9.1% 171 m/z (91) 1.0% 0.0178% 4585 1.1 84 35067 824284 764996 1-6 6: 171 172 156 173 169 170 0.453 30.93 1.1 92 97 85 97 171 53.1 40.363 0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2707 1632.5 11.4 scans 84% 111 m/z 0.038% 1.28% 4639 0.4 634 962166 59296606 54107983 2-8 20: 111 137 109 43 67 180 110 95 124 152 41 81 79 69 39 77 93 123 91 53 0.961 31.18 397.5 78 98 96 99 180 138.0 4.745 0.093 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5198 1642.9 9.0 scans 46% 43 m/z (165) 1.0% 0.0334% 4681 1.0 113 35475 1546381 1434167 1-3 19: 43 98 167 151 111 55 142 127 182 68 82 168 107 39 81 166 83 122 123 0.873 31.52 0.2 84 87 90 91 166 23.3 4.214 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9259 1660.0 8.2 scans 40% 83 m/z (109) 0.92% 0.0346% 4749 1.1 122 40181 1601786 1574604 2-1 10: 83 82 55 67 210 86 125 87 219 100 0.735 31.92 0.3 62 70 67 77 219 8.6 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0635 1665.8 6.5 scans 32% 221 m/z 1.0% 0.0190% 4773 1.0 100 34191 880995 750264 2-11 20: 221 73 147 207 295 341 223 296 355 148 222 149 342 325 279 267 74 297 356 208 0.842 32.08 -0.6 96 98 81 96 355 16.5 2.692 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4389 1681.5 9.7 scans 53% TIC 0.55% 0.0517% 4837 1.6 159 66911 2387827 2189519 1-2 0.826 32.44 -0.2 81 83 75 81 226 6.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6833 1691.8 9.5 scans 53% 205 m/z (171) 1.8% 0.0805% 4878 1.0 168 20345 3719247 3334764 2-3 13: 205 105 91 119 93 107 79 162 145 187 177 106 131 0.869 32.67 0.3 93 97 89 97 220 9.8 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8716 1699.7 >10 scans 40% 55 m/z (149) 1.1% 0.0621% 4909 0.7 148 31366 0.180% 2870554 2573353 8309290 2-0 12: 55 104 71 82 191 224 101 145 202 42 54 92 0.738 32.87 0.2 66 79 60 86 186 6.7 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9342 1702.4 7.9 scans 43% 71 m/z (113) 0.27% 0.0519% 4921 0.7 145 136516 2396548 2213933 3-2 7: 71 159 243 155 143 173 72 0.934 32.93 0.1 95 99 96 99 243 23.0 2.530 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0806 1708.5 7.4 scans 33% 41 m/z (73) 3.9% 0.0213% 4946 1.1 93 9519 985983 869319 1-3 20: 41 83 55 97 69 56 84 57 43 82 125 67 98 130 112 155 96 39 68 85 0.866 33.09 -0.2 88 95 95 94 224 3.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3067 1718.0 7.6 scans 65% 57 m/z (153) 0.44% 0.0809% 4984 0.7 183 83820 0.0900% 3735837 3473003 4154645 0-1 18: 57 71 43 85 41 99 56 55 70 113 42 141 98 84 154 112 58 140 0.969 33.37 -2.8 93 98 97 98 226 20.2 1.216 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8398 1727.5 8.4 scans 7.4% 217 m/z (154) 3.7% 0.00403% 5074 1.0 40 9833 186245 177810 2-0 3: 217 232 218 0.231 33.83 452.8 61 95 54 94 232 16.6 16.914 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2701 1733.6 7.6 scans 26% 57 m/z (99) 1.6% 0.0151% 5147 0.9 85 22910 0.0170% 699118 689967 784766 0-4 15: 57 71 85 211 43 210 98 41 182 113 183 212 70 196 197 0.837 34.27 0.0 83 93 81 90 211 17.3 4.183 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3546 1734.8 8.3 scans 93% 73 m/z 0.026% 1.38% 5161 1.0 775 1379958 64020820 59808512 2-2 20: 73 147 221 281 356 357 401 282 222 74 402 207 148 415 283 223 358 385 149 325 0.991 34.39 451.8 81 100 99 100 415 82.2 1.127 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7967 1741.2 12.8 scans 90% TIC 0.039% 0.921% 5236 0.3 522 948075 42530468 41165795 1-1 0.977 34.79 452.2 80 99 97 99 199 147.5 7.975 0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9012 1742.7 8.1 scans 48% 68 m/z (197) 1.2% 0.0548% 5254 1.3 147 30600 2531143 2379058 1-3 3: 68 69 224 0.947 34.90 -0.0 85 85 80 98 224 17.2 1.377 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6952 1754.0 8.5 scans 73% 123 m/z (70) 0.21% 0.189% 5388 1.1 269 173429 8727072 7815592 3-3 20: 123 209 43 193 224 181 165 105 167 124 210 195 77 91 166 125 79 109 103 95 0.985 35.70 451.3 72 93 94 95 224 46.6 2.997 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9343 1757.4 8.5 scans 29% 91 m/z 0.58% 0.0433% 5429 1.0 148 63989 2002128 1809860 2-3 20: 91 148 97 83 155 65 105 69 41 43 70 159 56 92 111 107 44 177 93 84 0.449 35.94 451.0 71 96 48 92 238 6.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.3 scans 69% 209 m/z 0.16% 0.149% 5643 1.0 258 225287 6904478 6447605 2-1 20: 209 224 181 210 165 167 105 178 166 179 103 225 77 194 152 91 193 115 182 89 0.927 37.20 449.2 80 99 92 99 224 81.9 10.125 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0536 1787.7 7.9 scans 57% 57 m/z (198) 0.64% 0.0615% 5788 0.9 159 57264 2842725 2547125 2-2 17: 57 71 85 43 56 225 41 99 55 113 69 127 98 155 169 42 224 0.934 38.06 448.0 75 99 97 99 225 30.6 3.676 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5672 1795.1 8.7 scans 89% 73 m/z 0.046% 0.728% 5875 0.9 547 804470 33617633 31606217 2-2 20: 73 147 221 429 355 281 341 207 356 74 148 357 223 295 325 149 432 402 208 191 0.981 38.59 447.0 80 99 98 99 429 140.1 6.561 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8163 1798.7 10.5 scans 48% 57 m/z (127) 0.83% 0.0528% 5917 0.9 133 44223 2438357 2249659 1-2 18: 57 71 43 113 41 84 55 99 56 154 98 197 212 169 183 86 72 182 0.952 38.91 -1.3 86 91 91 91 254 13.1 0.966 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4379 1865.4 8.2 scans 45% TIC 0.73% 0.0278% 6022 1.0 131 50198 1283916 1181323 2-2 0.728 39.45 503.9 72 99 81 97 256 20.0 2.326 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7549 1904.8 7.4 scans 91% 68 m/z 0.14% 0.484% 6076 1.0 493 248505 22350328 21419885 2-1 20: 68 95 82 123 69 57 43 55 81 67 83 41 97 71 96 124 111 79 56 70 0.992 39.94 535.7 79 98 98 98 278 24.3 0.242 -0.181 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8789 1920.1 7.5 scans 76% TIC 0.34% 0.132% 6097 1.0 264 106614 6123188 5378038 2-7 0.941 39.88 551.8 77 98 94 96 250 27.8 1.108 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3010 1972.5 8.0 scans 58% 149 m/z (207) 0.16% 0.0794% 6168 1.1 184 223402 3668405 3334419 2-2 15: 149 150 104 76 56 167 93 205 65 132 121 105 50 77 122 0.955 40.31 597.6 76 98 94 100 223 37.1 4.077 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5914 2008.5 6.7 scans 56% 221 m/z (260) 0.93% 0.0325% 6218 1.0 128 39759 1503060 1414522 1-3 20: 221 73 147 295 207 281 222 296 223 148 369 297 282 205 74 283 370 208 355 341 0.917 40.63 628.4 74 98 94 99 369 19.5 2.318 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 40.5914 2008.5 6.8 scans 45% TIC 0.94% 0.0174% 6218 1.2 114 39378 804063 596374 0-6 0.749 36.58 692.0 73 96 72 94 369 19.5 2.911 4.012 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN N406_R~1-N1110 ? Phytol 40.8423 2039.6 9.1 scans 24% 81 m/z (55) 3.1% 0.0176% 6261 1.3 77 11927 813396 734056 2-1 12: 81 95 82 68 123 96 79 137 109 124 72 278 0.736 40.66 22.4 78 85 55 82 278 13.3 3.019 0.180 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1254 ? Phytol 40.8464 2040.1 >9 scans 32% TIC 2.8% 0.0117% 6261 0.7 88 13088 0.0211% 541894 501681 974033 2-0 0.715 40.87 -2.6 79 84 56 83 278 13.0 2.154 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9857 2057.4 7.9 scans 52% 138 m/z 0.75% 0.0460% 6284 1.2 156 49471 2125710 2050685 1-1 18: 138 120 109 69 121 124 83 139 65 82 262 93 81 95 67 39 246 68 0.848 41.00 671.6 78 100 91 99 262 20.2 1.678 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2473 2089.8 8.4 scans 87% 79 m/z 0.069% 0.872% 6329 0.7 611 532290 40300009 35849690 2-10 20: 79 67 93 95 91 108 55 121 41 81 77 94 107 135 87 59 78 105 122 53 0.958 41.26 -1.2 98 98 93 99 264 42.4 0.483 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4492 2114.8 7.9 scans 69% 205 m/z 0.28% 0.268% 6363 0.7 349 131420 12397094 11283822 3-2 20: 205 217 57 175 189 177 220 232 41 91 261 191 115 206 192 77 161 109 233 135 0.809 41.49 -81.8 84 100 85 99 276 22.8 0.429 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0348 2150.0 9.5 scans 96% 74 m/z 0.010% 3.76% 6462 0.5 1197 3428148 173884282 167946016 2-1 20: 74 87 143 43 55 75 227 41 270 69 57 239 129 83 59 185 97 171 101 88 0.997 42.01 748.0 80 99 99 99 272 28.6 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3329 2166.7 7.6 scans 72% 73 m/z 0.32% 0.0831% 6513 1.0 198 114245 3837079 3588606 2-3 20: 73 147 281 221 355 207 429 503 283 341 222 148 504 74 430 357 295 415 431 267 0.924 42.37 757.7 76 97 92 99 503 27.2 1.899 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2969 2220.8 10.9 scans 35% 278 m/z (127) 1.3% 0.0236% 6676 1.6 80 26921 1093158 957049 2-2 14: 278 247 219 264 147 207 186 145 128 279 124 185 205 203 0.675 43.31 -0.6 72 78 37 77 278 25.2 10.008 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8465 2251.7 8.7 scans 44% 71 m/z (220) 2.0% 0.0236% 6769 1.1 96 18205 1091241 1008224 1-2 17: 71 57 85 43 127 41 267 113 99 154 126 239 70 169 56 141 84 0.901 43.94 -5.0 65 67 83 85 282 4.6 0.233 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7839 2363.0 11.1 scans 49% TIC 1.3% 0.0200% 7097 1.6 93 28425 927829 850969 1-1 0.768 45.78 0.4 91 92 73 91 503 7.8 0.715 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1026 Methyl stearate 45.9410 2372.1 8.8 scans 82% 74 m/z 0.021% 1.74% 7124 0.7 845 1692492 80589400 74064163 2-4 20: 74 87 43 143 255 75 57 199 83 129 101 71 59 88 56 213 256 111 85 42 0.988 45.92 893.4 80 99 99 99 298 136.8 2.622 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.1240 2382.6 8.9 scans 82% 79 m/z (208) 0.042% 1.66% 7155 0.7 801 880711 77025356 70771005 2-4 20: 79 67 95 93 80 108 91 107 94 77 121 135 78 122 149 105 136 66 53 65 0.984 46.13 -0.6 93 93 94 98 292 57.7 0.519 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7562 2419.0 7.9 scans 85% 74 m/z 0.13% 0.250% 7262 1.0 336 279941 11569180 10834364 2-4 20: 74 87 43 143 75 55 41 298 57 255 69 199 83 97 129 59 101 88 267 71 0.951 46.76 923.9 79 100 96 99 298 58.2 2.994 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6718 2471.7 7.5 scans 27% 221 m/z 3.5% 0.00540% 7417 1.0 51 10522 249292 216393 2-4 12: 221 73 147 295 369 282 297 296 148 265 209 356 0.690 44.32 1024.4 61 86 59 84 369 12.8 6.296 3.352 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9221 2543.7 8.6 scans 52% TIC 2.2% 0.0101% 7629 1.4 70 16754 0.0119% 468794 436774 549336 2-0 0.774 48.95 993.3 77 99 74 97 429 18.8 7.223 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3478 2625.7 8.0 scans 90% 74 m/z 0.13% 0.279% 7871 1.1 350 270091 12896065 12042990 2-4 20: 74 87 43 75 143 55 326 57 41 69 283 83 71 129 101 59 88 227 185 241 0.959 50.36 1038.7 78 99 97 99 326 63.5 3.292 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8384 2711.4 8.1 scans 47% 73 m/z (207) 2.7% 0.0101% 8123 1.1 64 13401 470573 440921 2-5 18: 73 147 355 281 341 131 282 430 295 221 356 503 205 431 283 342 223 357 0.797 51.86 1080.5 64 89 75 87 503 8.7 1.804 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B MN_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6094 2870.9 9.6 scans 29% 73 m/z (191) 3.3% 0.00954% 8592 1.3 57 11193 440605 398171 3-2 18: 73 355 147 221 267 148 281 356 357 429 222 325 431 205 74 145 503 401 0.664 45.81 1394.4 68 96 70 94 503 6.9 0.000 8.797 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0889 770.7 5.7 scans 78% 77 m/z 0.077% 0.104% 34 3.3 257 715790 8392648 7511823 1-4 12: 77 45 78 79 62 76 59 63 75 46 92 64 0.987 4.37 16.7 100 100 98 100 77 221.1 74.120 -0.282 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1321 823.9 10.6 scans 49% 57 m/z (44) 0.91% 0.0221% 381 0.4 91 60523 1778433 1223667 1-9 16: 57 41 39 59 87 45 55 58 102 42 40 38 86 69 50 51 0.902 6.03 -137.7 72 96 90 98 102 10.3 1.283 0.099 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5134 833.8 15.7 scans 66% 207 m/z 0.53% 0.0332% 445 2.8 107 103171 2670212 2414196 1-3 20: 207 208 191 209 192 177 133 210 119 103 163 161 178 115 135 134 176 165 73 75 0.796 6.53 -143.0 80 100 81 99 207 83.9 61.706 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6256 862.8 8.8 scans 87% 41 m/z 0.89% 0.0708% 633 2.3 190 61979 5689080 4906049 2-4 20: 41 69 55 83 39 42 57 98 70 97 56 43 53 80 54 68 79 81 52 51 0.972 7.71 7.5 99 99 96 98 98 45.1 5.639 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2137 982.2 8.6 scans 58% 281 m/z (103) 0.46% 0.0541% 1410 1.7 160 119159 4345720 3588588 2-6 20: 281 43 71 99 134 41 191 111 251 93 39 205 118 112 73 142 42 72 161 284 0.764 12.22 35.9 91 98 58 99 281 90.2 31.859 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 12.2137 982.2 8.6 scans 16% 281 m/z 0.75% 0.0133% 1410 1.7 84 72964 1070366 883882 2-6 20: 281 43 71 99 134 41 191 111 251 93 39 205 118 112 73 142 42 72 161 284 0.203 12.25 -170.9 73 98 3 94 281 90.3 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6570 993.8 10.0 scans 83% 81 m/z (93) 0.30% 0.0856% 1486 2.1 188 184427 6883038 6153094 3-3 20: 81 110 53 39 41 79 67 68 51 65 77 82 95 50 66 40 54 109 52 63 0.957 13.22 30.2 93 96 93 99 110 54.7 8.460 -0.565 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1040 ? Decane 12.7957 997.4 6.8 scans 8.5% 85 m/z (67) 16% 0.00101% 1509 0.8 26 3360 81578 77990 2-0 3: 85 71 84 0.703 12.90 -2.6 72 88 65 85 142 5.1 3.735 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9173 1000.6 8.2 scans 60% 84 m/z (45) 5.3% 0.0133% 1529 1.3 88 10444 1075659 1007412 1-3 13: 84 57 56 41 43 55 44 69 85 42 68 100 86 0.967 12.96 -174.2 68 90 93 98 110 8.0 0.823 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1024 ?? p-Cymene 13.7125 1022.1 10.2 scans 14% 119 m/z (71 110) 11% 0.00141% 1664 2.5 25 4853 113436 102411 1-2 4: 119 134 117 120 0.688 13.76 -177.4 60 91 73 90 134 9.4 14.342 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1016 Limonene 13.8914 1027.0 8.6 scans 45% TIC 1.6% 0.0192% 1695 1.1 118 33871 1544078 1425740 1-1 0.600 13.89 51.7 83 98 83 97 136 23.9 4.144 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0755 1032.0 11.1 scans 74% 79 m/z 0.50% 0.0727% 1726 1.8 181 110090 5841673 5556296 1-2 20: 79 108 107 77 51 91 78 80 50 90 89 53 65 52 39 62 74 105 64 92 0.941 14.11 53.0 91 99 93 99 108 82.2 20.624 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4362 1041.7 9.7 scans 92% TIC 0.053% 0.290% 1787 1.4 382 1029172 23328850 21184289 2-3 0.991 14.44 56.9 91 100 99 100 120 123.4 10.431 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1623 1061.4 11.5 scans 85% 105 m/z 0.13% 0.167% 1910 1.6 278 403444 0.228% 13453404 12986271 18313220 2-0 20: 105 77 123 51 46 106 50 78 124 74 75 76 52 49 53 38 80 39 104 40 0.983 15.17 64.0 89 100 98 100 123 99.5 12.801 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN 98-86-2 ? Acetophenone 15.2550 1063.9 >11 scans 68% 105 m/z 0.26% 0.0724% 1926 1.6 201 209291 5815502 5191131 1-2 19: 105 120 77 51 43 106 78 50 63 74 107 62 75 121 125 89 76 65 42 0.969 15.29 -181.8 78 98 95 99 120 68.2 11.565 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4227 1068.5 8.9 scans 84% 95 m/z 0.090% 0.297% 1954 1.4 405 611131 23903809 22126224 1-5 20: 95 81 124 79 43 53 109 39 41 82 65 96 66 77 51 55 67 80 50 125 0.974 15.43 66.8 87 98 95 100 124 117.3 8.368 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1002 Undecane 16.5898 1100.1 9.4 scans 59% TIC 0.97% 0.0277% 2152 1.2 141 56600 2227825 2125608 1-1 0.792 16.59 0.1 82 87 83 85 156 3.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7722 1107.8 8.4 scans 78% 57 m/z (127) 0.31% 0.167% 2183 1.0 299 176129 13463757 11727125 3-5 18: 57 41 56 55 70 98 44 82 69 68 95 67 96 42 39 54 114 45 0.956 16.82 85.4 78 98 94 97 124 16.2 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9569 1115.6 8.5 scans 83% 71 m/z 0.15% 0.194% 2214 1.1 339 354685 15585258 14002769 2-7 20: 71 95 43 110 58 128 41 85 55 84 57 69 72 39 70 68 56 42 113 67 0.958 16.97 90.9 81 98 94 100 128 81.9 5.829 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0426 1119.2 10.1 scans 70% 91 m/z 0.20% 0.0897% 2228 1.5 209 267305 7208526 6461919 9-3 16: 91 92 122 65 93 77 63 51 89 103 78 104 50 123 62 38 0.972 17.05 93.2 82 99 96 99 122 72.0 11.816 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0609 1162.3 7.9 scans 81% 73 m/z 0.28% 0.0800% 2401 1.5 223 193208 6426737 5979446 2-2 20: 73 355 267 356 268 357 269 251 74 193 249 162 191 358 75 179 154 59 237 45 0.936 18.13 -169.4 80 99 91 99 355 93.3 17.519 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1012 ? Nicotine 18.2208 1169.0 13.0 scans 0.81% 133 m/z 19% 0.000343% 2429 2.1 14 2802 27583 24569 3-1 6: 133 110 134 115 63 78 0.145 25.78 13.7 74 100 100 100 162 0.0 0.000 -7.557 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6990 1189.2 8.6 scans 20% 98 m/z 1.1% 0.0365% 2509 1.2 164 48119 2935883 2640622 2-1 13: 98 111 125 95 107 70 67 100 80 81 96 79 91 0.826 18.71 138.4 76 99 85 98 153 7.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8283 1194.7 >13 scans 10% 70 m/z (71) 2.3% 0.0301% 2531 0.9 119 23549 2421001 2334539 1-0 19: 70 72 96 83 94 55 57 93 98 69 84 56 122 52 151 80 130 111 107 0.926 18.83 142.0 68 91 90 96 122 8.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1211 1207.1 10.7 scans 13% 82 m/z (87) 0.66% 0.0385% 2581 1.1 136 83097 3097389 2704893 1-2 15: 82 81 54 39 43 124 96 95 53 38 83 111 79 47 37 0.860 19.12 150.0 77 99 99 100 97 23.8 3.044 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1004 ? Octanoic acid 19.2634 1213.1 >20 scans 81% TIC 0.19% 0.461% 2605 0.1 400 284396 37063401 33441860 1-4 0.972 19.87 144.8 77 95 91 99 144 0.0 0.000 -0.608 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.5904 1226.9 14.9 scans 30% 122 m/z 2.1% 0.0112% 2660 1.1 71 25296 904981 870084 2-0 12: 122 105 77 89 50 98 74 91 76 106 78 99 0.689 20.03 156.2 66 91 77 94 122 35.6 25.125 -0.439 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8083 1236.1 8.5 scans 80% TIC 0.20% 0.110% 2697 1.1 276 275878 0.160% 8893544 8291231 12851382 0-4 0.937 19.81 168.6 78 98 93 99 144 6.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3384 1258.3 12.0 scans 72% 57 m/z (109) 0.70% 0.0541% 2787 0.6 153 79098 4352992 4007963 4-2 16: 57 85 43 99 84 141 127 83 42 113 86 70 55 155 126 112 0.964 20.32 0.6 91 96 95 95 170 11.2 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5261 1263.9 8.1 scans 80% 57 m/z 0.45% 0.130% 2819 0.9 290 122362 10485161 9516934 4-1 20: 57 41 55 43 82 70 71 68 44 83 56 67 69 81 112 96 42 84 39 54 0.959 20.56 185.2 79 98 98 100 128 26.0 0.803 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1034 ? Decanal 20.5261 1263.9 8.1 scans 77% 57 m/z (85 85) 0.45% 0.134% 2819 0.9 284 121553 10810972 9812659 4-1 20: 57 41 55 43 82 70 71 68 44 83 56 67 69 81 112 96 42 84 39 54 0.975 20.57 -143.1 74 97 98 98 138 14.4 0.258 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1006 Arosol 20.9553 1276.8 15.8 scans 81% TIC 0.066% 0.251% 2891 1.0 381 835531 0.346% 20233649 19762248 27791114 1-0 0.991 20.98 191.8 80 99 98 99 152 6.6 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1024 ? Hexadecane 21.0804 1280.5 5.6 scans 41% TIC 1.0% 0.00664% 2913 1.2 139 54339 533713 487155 1-1 0.936 33.32 13.5 75 78 86 80 226 0.0 0.000 -12.239 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0084 1308.4 8.2 scans 71% 175 m/z 0.043% 0.308% 3070 1.0 441 1284732 24760922 22534362 4-3 20: 175 57 190 176 91 41 147 115 117 66 80 105 77 191 128 64 79 131 119 159 0.911 22.01 208.0 80 100 92 100 190 121.0 7.536 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9028 1335.2 8.6 scans 63% 69 m/z (57) 0.13% 0.222% 3221 1.1 346 405715 17870110 16466824 3-4 8: 69 109 86 110 128 95 67 59 0.884 22.91 221.6 71 96 85 95 127 42.5 1.515 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.4305 1351.1 >21 scans 77% 60 m/z (71) 0.15% 0.482% 3311 0.2 392 353667 38778443 34981450 1-3 20: 60 73 57 43 115 55 41 129 69 61 98 45 87 39 42 56 101 83 70 84 0.981 22.70 -124.2 74 94 93 99 158 25.8 0.433 0.735 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1016 ?? Nicotine 23.4311 1351.1 >17 scans 41% TIC 0.25% 0.180% 3311 0.2 287 219467 0.219% 14523499 13171381 17590329 0-3 0.500 25.35 201.9 68 94 49 96 162 0.0 0.000 -1.923 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8432 1363.4 >14 scans 52% TIC 0.67% 0.0450% 3381 0.0 172 81688 0.0806% 3615789 3532292 6473884 1-0 0.889 23.86 -0.6 88 89 83 91 184 16.6 0.927 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0864 1371.5 7.2 scans 72% 73 m/z 0.096% 0.229% 3422 0.9 408 572187 18430273 17686207 1-8 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 344 82 45 75 148 251 191 0.922 24.17 -152.3 79 99 89 99 429 119.2 8.545 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.3331 1379.7 7.0 scans 21% 57 m/z 2.9% 0.00360% 3463 0.8 71 18911 289123 261868 1-0 15: 57 85 99 127 70 41 112 86 68 95 42 84 111 44 128 0.666 20.36 -20.5 60 76 66 73 170 6.5 0.000 3.975 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5445 1386.8 8.1 scans 80% 71 m/z (153) 0.23% 0.149% 3499 1.4 297 239604 12026361 11300840 1-2 18: 71 57 85 43 41 84 70 127 113 99 55 56 155 42 112 72 86 58 0.987 24.54 249.5 76 98 98 100 169 30.5 1.055 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6850 1391.5 9.5 scans 45% 43 m/z (135) 1.5% 0.0217% 3523 1.5 114 35744 0.0352% 1744147 1623701 2827304 1-0 20: 43 83 55 82 142 69 41 56 58 67 113 111 93 127 68 85 39 81 70 57 0.921 24.70 251.9 68 92 87 97 170 3.5 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2074 1408.9 7.7 scans 56% 43 m/z 0.17% 0.0578% 3612 0.9 198 318231 4644748 4212646 5-5 15: 43 103 145 116 115 86 74 42 44 73 61 146 212 104 117 0.964 25.24 -151.0 79 99 96 100 145 69.6 12.333 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4860 1418.2 19.9 scans 93% 84 m/z 0.0077% 6.09% 3659 0.3 1339 7185699 489883515 460613413 0-5 20: 84 133 162 119 42 92 118 82 65 51 78 117 91 39 63 77 105 104 159 106 0.996 25.89 261.2 79 98 96 98 162 368.2 7.565 -0.406 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN GLAU_R~1-N1080 ?? Solanone 25.7847 1428.2 7.2 scans 22% TIC 1.7% 0.00518% 3709 1.1 93 31836 416745 416633 0-1 0.489 25.78 272.9 67 94 63 92 194 14.5 2.405 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0250 1436.3 8.4 scans 8.3% 145 m/z (60) 4.7% 0.00378% 3750 1.0 49 11689 303973 297677 1-1 3: 145 160 116 0.513 27.08 -186.5 60 87 60 91 160 19.6 16.236 -1.052 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4790 1451.4 8.2 scans 36% 189 m/z (73) 2.9% 0.0161% 3827 0.9 99 18603 1300679 1157328 2-2 9: 189 204 107 148 160 117 205 174 128 0.808 45.98 -28.3 62 71 56 71 204 33.5 11.541 -19.496 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5144 1452.6 7.0 scans 40% 73 m/z (189 153) 1.2% 0.0187% 3833 1.3 114 45275 1503160 1339229 2-2 18: 73 355 267 356 357 268 163 269 251 281 249 74 75 89 179 223 207 402 0.816 18.09 411.0 66 89 80 99 355 44.3 15.183 8.422 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0923 1471.9 6.6 scans 51% 221 m/z 0.98% 0.0217% 3931 1.0 132 56042 1747710 1594253 2-2 20: 221 73 147 281 222 267 223 148 339 355 282 443 191 74 444 268 149 356 283 205 0.906 27.12 297.0 77 98 87 97 355 24.5 3.469 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 8.1 scans 74% 57 m/z (163) 0.32% 0.0911% 3944 1.1 237 171124 0.122% 7321101 7003679 9799179 1-0 20: 57 71 43 85 41 55 56 99 70 198 42 84 69 72 113 127 112 98 39 83 0.985 27.21 -1.4 95 97 97 98 198 25.6 1.168 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1032 ? Myosmine 28.0357 1506.9 23.3 scans 47% TIC 0.59% 0.0480% 4091 0.8 155 92641 0.0613% 3856589 3629632 4923686 1-0 0.762 27.93 320.2 72 95 82 94 146 67.1 18.798 0.105 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2075 1513.3 8.1 scans 51% 121 m/z (85) 0.89% 0.0480% 4120 1.0 169 61816 3858835 3402513 1-8 18: 121 161 123 93 136 95 176 119 179 107 79 81 91 105 94 194 122 106 0.968 27.02 339.9 65 87 83 88 208 2.1 0.000 1.190 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3863 1520.1 8.6 scans 80% 80 m/z (71) 0.096% 0.187% 4150 0.9 332 572612 15053052 14001707 2-2 20: 80 171 104 53 83 78 91 170 172 77 81 51 65 103 39 79 105 52 63 115 0.974 28.39 326.7 78 99 98 100 171 140.0 17.766 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6579 1530.3 8.2 scans 66% 43 m/z (166) 0.12% 0.219% 4196 1.0 360 428617 17599437 15725544 8-2 19: 43 69 41 136 107 67 125 93 109 53 83 68 39 81 108 161 133 176 58 0.970 28.67 332.9 75 98 97 98 194 23.6 0.429 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0936 1546.6 7.8 scans 71% TIC 0.15% 0.190% 4270 1.1 394 367344 0.289% 15340963 14100226 23212809 3-0 0.928 29.09 342.9 74 96 89 95 220 45.1 1.313 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5345 1563.2 10.5 scans 89% 281 m/z 0.012% 3.69% 4345 0.5 1391 4369105 296553089 286871087 3-1 20: 281 73 147 327 415 221 416 148 325 207 342 383 249 251 191 45 131 59 267 193 0.978 29.61 -149.9 79 98 94 98 503 229.9 2.735 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6809 1568.7 8.9 scans 62% 177 m/z 0.019% 1.01% 4369 0.6 796 2862006 81896777 78432717 1-1 20: 177 43 178 91 135 93 77 105 107 121 149 79 133 122 119 192 95 41 109 162 0.715 29.68 356.2 69 94 52 89 192 99.8 1.572 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7831 1572.6 8.1 scans 75% 123 m/z 0.016% 0.722% 4387 0.8 692 3305175 58047272 55092780 1-2 20: 123 43 135 124 107 95 91 79 109 77 97 81 39 67 53 93 105 125 193 65 0.923 29.77 358.6 79 98 91 99 193 57.9 0.701 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9460 1578.7 8.6 scans 81% TIC 0.075% 0.443% 4414 0.9 510 738887 35588377 33384860 1-2 0.937 29.94 362.3 77 98 95 97 254 13.0 0.065 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1727 1587.2 8.1 scans 60% 57 m/z 0.31% 0.0850% 4453 1.0 264 175569 0.141% 6835131 6441610 11325281 1-0 20: 57 71 85 43 41 99 55 113 84 70 56 127 69 98 155 42 154 83 112 141 0.886 30.38 -7.7 82 84 89 86 212 3.2 0.000 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5151 1600.7 8.2 scans 91% TIC 0.014% 0.967% 4511 1.0 794 3926594 77711175 72468543 1-7 0.993 30.50 375.9 81 100 99 100 206 211.6 7.097 0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8474 1614.7 8.8 scans 19% 124 m/z (216) 1.4% 0.0160% 4567 0.9 95 37235 1289213 1209390 2-4 5: 124 137 180 138 54 0.951 30.81 385.3 63 86 63 90 180 27.6 8.484 0.040 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8876 1616.4 8.9 scans 40% 162 m/z (179) 0.83% 0.0451% 4574 1.1 158 66247 3630229 3262729 2-3 15: 162 147 161 105 91 163 119 134 77 164 115 145 51 135 149 0.872 30.88 0.4 87 92 78 94 204 19.7 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2565 1631.9 11.8 scans 60% 111 m/z 0.036% 1.03% 4636 0.4 678 1533524 82858358 74358343 3-9 20: 111 109 137 67 180 110 95 124 152 79 39 81 77 112 123 93 53 91 65 165 0.835 31.18 396.9 77 97 82 98 180 158.0 5.427 0.079 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5216 1643.0 10.9 scans 66% 43 m/z (94) 0.35% 0.111% 4681 1.1 233 155247 8959729 8472295 1-1 20: 43 98 71 57 111 55 166 41 127 99 68 83 39 81 69 67 124 58 123 70 0.959 31.52 0.3 91 93 93 96 166 37.3 2.559 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9153 1659.5 >9 scans 47% TIC 0.88% 0.0267% 4748 1.1 161 62728 2151382 1908295 1-1 0.793 31.92 -0.2 79 86 70 85 219 2.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0369 1664.7 6.8 scans 38% 221 m/z 0.52% 0.0416% 4768 1.0 182 105595 3345035 3150579 2-1 13: 221 73 147 207 222 295 341 355 325 296 281 148 74 0.771 32.08 -1.7 93 96 83 98 355 30.6 2.846 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2341 1672.9 8.6 scans 62% 57 m/z (133) 0.41% 0.122% 4802 1.1 222 132753 9832274 6474911 2-12 20: 57 71 43 85 41 99 183 56 149 105 55 113 182 69 70 42 127 77 100 141 0.951 32.24 -0.2 90 92 94 96 226 9.8 0.198 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4354 1681.4 11.2 scans 50% 57 m/z (154) 0.67% 0.0676% 4836 1.0 177 81850 5435121 5148289 1-1 19: 57 85 71 196 56 43 197 41 55 113 99 149 155 141 83 198 72 84 39 0.770 32.44 -0.3 84 95 82 94 226 6.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6763 1691.5 8.7 scans 58% 205 m/z (179) 1.5% 0.0830% 4877 1.1 219 35002 6667639 6212296 2-4 16: 205 91 105 119 93 147 159 79 187 73 162 106 131 146 145 133 0.870 32.67 0.0 88 93 90 98 220 12.1 0.306 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8652 1699.5 7.7 scans 30% 70 m/z (149) 1.1% 0.0399% 4909 1.5 150 47934 3209109 2908989 1-4 4: 70 145 216 187 0.816 32.87 -0.0 61 68 72 80 186 6.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9336 1702.3 7.8 scans 60% 71 m/z (177) 0.12% 0.102% 4921 0.8 249 455007 8271681 7433131 3-6 10: 71 43 111 159 243 155 72 173 143 89 0.948 32.93 0.0 94 96 90 100 243 36.1 2.101 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0901 1708.9 7.4 scans 37% 57 m/z (147) 2.9% 0.0201% 4947 0.8 121 18863 1621150 1621150 0-0 20: 57 55 56 69 43 41 84 85 98 71 194 82 151 154 68 42 100 110 139 96 0.881 33.09 0.2 89 93 95 96 224 5.7 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3085 1718.1 7.2 scans 69% 57 m/z (59) 0.29% 0.0927% 4984 0.9 255 190750 7451424 6907368 5-1 20: 57 71 43 85 41 55 99 56 70 226 113 69 98 84 42 72 112 83 127 58 0.976 33.37 -2.7 89 89 97 99 226 27.4 1.157 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.5 scans 36% 71 m/z (169) 1.1% 0.0324% 5083 1.0 143 48812 2606281 2268181 11-1 19: 71 57 43 70 85 197 127 99 41 113 84 55 196 56 140 98 141 100 42 0.906 33.90 -0.1 87 94 90 96 197 25.2 3.100 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2701 1733.6 7.4 scans 15% 57 m/z (173) 2.5% 0.00899% 5147 1.0 82 21855 722218 722218 0-0 19: 57 71 211 43 210 85 182 97 181 141 183 113 127 79 158 169 140 212 91 0.846 34.27 0.0 84 92 88 91 211 13.8 2.837 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3729 1735.1 26.3 scans 91% TIC 0.010% 8.49% 5164 1.7 1472 5098150 9.29% 682518256 668775973 746183383 1-0 0.993 34.39 452.1 80 99 97 99 415 178.9 1.479 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9160 1742.9 8.9 scans 1.7% 68 m/z (172) 1.9% 0.0265% 5256 1.6 119 28358 2130233 2003774 2-4 2: 68 224 0.754 34.90 0.2 82 93 85 95 224 15.7 1.751 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 35.0004 1744.1 >21 scans 92% 91 m/z 0.014% 3.28% 5271 0.1 993 3883325 263731603 251835903 1-1 20: 91 155 199 90 65 184 92 44 120 89 63 106 39 77 200 51 156 64 134 78 0.993 34.79 455.1 81 100 99 100 199 278.0 7.839 0.214 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1042 ?? Phytol 35.3634 1749.3 8.8 scans 61% 55 m/z (196) 0.51% 0.105% 5332 0.7 237 107597 8436840 7732021 2-1 20: 55 69 56 126 70 41 81 95 111 82 83 72 96 67 137 97 42 109 112 110 0.898 35.35 451.9 68 92 94 96 196 7.1 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7218 1754.4 9.0 scans 45% 123 m/z (99) 0.24% 0.0846% 5393 0.9 218 222126 6802395 6369580 2-1 17: 123 43 193 124 125 109 79 105 77 175 121 149 194 39 131 107 181 0.906 35.70 451.7 70 95 82 93 224 15.5 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4744 1765.2 6.8 scans 26% 221 m/z 0.60% 0.0380% 5520 1.0 175 92323 3057316 2856971 1-2 20: 221 73 147 295 207 222 281 369 223 296 341 208 148 297 370 74 355 282 342 209 0.886 36.58 448.7 77 99 86 98 369 27.2 2.400 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2053 1775.6 8.2 scans 9.5% 209 m/z 1.8% 0.00747% 5644 1.1 72 30704 600411 559872 2-2 9: 209 224 181 210 167 165 166 179 194 0.713 37.20 449.3 70 93 57 91 224 28.1 15.236 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0607 1787.9 8.4 scans 42% 57 m/z 0.62% 0.0377% 5789 1.0 166 88463 3036092 2770930 1-2 20: 57 71 85 43 56 41 225 55 99 113 69 224 127 70 141 155 196 87 42 98 0.833 38.06 448.2 71 94 81 92 225 30.0 3.282 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5684 1795.1 24.2 scans 89% TIC 0.017% 6.94% 5875 1.5 1419 3213488 7.97% 557706635 528008667 640159479 2-0 0.993 38.59 447.0 80 99 97 99 429 418.8 8.717 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1016 Octadecane 38.8222 1798.7 10.8 scans 41% 85 m/z (239) 0.90% 0.0455% 5918 1.3 145 61577 3659257 3336803 1-1 17: 85 71 55 141 58 96 168 84 97 111 155 100 72 99 140 282 110 0.929 38.91 -1.3 83 89 90 92 254 12.4 0.733 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.7927 1909.4 8.5 scans 94% 68 m/z 0.039% 1.84% 6082 0.6 1084 1420756 148550257 140855699 2-1 20: 68 95 82 123 69 57 81 55 43 83 67 41 97 71 96 109 124 111 79 56 0.997 39.94 540.3 80 99 99 99 278 53.4 0.242 -0.143 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8960 1922.2 7.6 scans 72% 43 m/z (355) 0.41% 0.116% 6100 1.1 275 133700 9337736 8723193 0-3 20: 43 58 71 59 57 55 85 109 95 41 69 110 124 83 70 123 81 56 96 113 0.982 39.88 553.9 76 99 99 99 250 25.4 0.852 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3151 1974.2 8.1 scans 58% 149 m/z 0.13% 0.0745% 6171 1.0 221 417109 5987049 5562737 2-2 16: 149 150 223 104 76 167 65 93 205 105 121 132 50 224 122 151 0.957 40.31 599.3 78 98 95 98 223 44.5 4.046 0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5713 2006.0 7.9 scans 31% 221 m/z (105) 1.5% 0.0210% 6214 1.4 112 36908 1690741 1509693 2-4 20: 221 73 147 295 207 222 281 223 148 296 357 369 208 282 74 341 355 371 267 327 0.865 40.63 625.9 73 99 91 99 369 17.6 2.479 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1254 ?? Phytol 40.8529 2040.9 7.3 scans 45% 82 m/z (150) 2.5% 0.0325% 6262 1.0 149 22068 2612818 2387808 3-4 13: 82 81 95 68 123 73 96 79 67 147 109 124 278 0.924 40.87 -1.8 65 62 86 89 278 14.9 1.006 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N407_R~1-N1144 ? Sclareoloxide 41.1062 2072.3 9.3 scans 51% 109 m/z (196) 1.3% 0.0740% 6305 1.0 203 40609 5948911 5767846 1-1 16: 109 81 95 262 191 123 107 177 121 93 135 136 137 91 229 77 0.897 41.13 684.5 75 99 91 98 262 36.1 3.160 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2467 2089.7 7.9 scans 68% 79 m/z 0.31% 0.145% 6329 1.0 315 174443 11671934 10821455 2-2 20: 79 67 93 95 80 91 55 41 108 81 121 77 94 107 59 87 135 78 122 66 0.868 41.26 -1.3 98 99 88 97 264 20.9 0.440 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4657 2116.9 8.8 scans 81% 205 m/z 0.21% 0.373% 6366 0.6 482 260964 30037973 27652642 2-2 20: 205 57 217 175 189 177 220 55 232 41 91 261 191 203 77 109 192 161 115 133 0.935 41.49 -79.7 85 100 94 99 276 30.4 0.397 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8394 2139.0 8.8 scans 41% 57 m/z (175) 1.7% 0.0360% 6429 0.7 130 30903 2893906 2830245 1-0 19: 57 71 85 43 84 97 55 110 70 141 113 125 41 99 69 253 56 86 111 0.889 41.48 20.0 68 79 84 79 268 3.7 0.000 0.356 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0295 2149.7 8.6 scans 92% 74 m/z 0.016% 1.80% 6461 0.6 1043 3268035 144828117 132160319 3-2 20: 74 87 43 55 75 270 69 83 239 59 97 101 185 171 199 241 56 42 98 213 0.994 42.01 747.7 80 100 99 100 272 24.0 0.053 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.1700 2157.6 8.0 scans 70% 81 m/z (204) 1.1% 0.109% 6485 1.1 260 50402 8799710 7904770 2-3 20: 81 95 93 69 257 91 41 79 67 109 137 123 107 55 105 121 119 77 97 94 0.968 42.40 -12.8 70 73 81 73 272 3.7 0.000 -0.229 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1700 2157.6 8.0 scans 66% 81 m/z 1.0% 0.0866% 6485 1.1 252 50761 6961023 6253079 2-3 20: 81 95 93 69 257 91 41 79 67 109 137 123 107 55 105 121 119 77 97 94 0.923 42.05 7.0 78 78 78 79 272 13.7 0.000 0.125 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3069 2165.3 9.6 scans 81% 73 m/z 0.026% 2.42% 6508 0.9 1156 2116703 194390458 180732707 2-3 20: 73 147 221 355 429 207 341 282 283 356 148 431 505 74 342 223 205 417 475 506 0.852 42.37 756.3 73 90 69 98 503 206.7 3.196 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2804 2219.9 10.9 scans 22% 263 m/z (267) 4.0% 0.0111% 6674 1.5 71 13830 894880 840720 0-3 15: 263 219 264 115 278 93 116 107 131 79 77 124 91 146 129 0.631 43.31 -1.5 88 96 63 94 278 15.9 5.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5224 2233.5 8.5 scans 44% 79 m/z (99) 3.3% 0.0256% 6715 0.9 119 16489 2059915 1860890 4-1 20: 79 81 177 149 91 69 93 41 216 257 107 134 121 67 272 162 106 133 147 123 0.882 43.55 -1.7 89 95 80 93 272 12.1 1.028 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1238 Trachylobane 44.1411 2268.5 8.3 scans 57% 79 m/z (355) 3.1% 0.0336% 6819 0.9 146 17706 2699353 2632016 1-2 19: 79 81 95 93 107 91 148 135 121 105 257 119 133 77 109 134 41 67 272 0.934 44.15 -0.8 95 100 95 99 272 16.7 1.318 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N419_R~1-N1158 ? Manool oxide 44.2715 2276.0 8.5 scans 65% 257 m/z (221) 1.7% 0.0561% 6841 1.0 181 31734 4512339 4141671 2-2 18: 257 275 95 81 192 177 137 43 67 69 191 109 123 82 79 107 276 121 0.946 43.83 838.4 76 99 93 98 275 43.1 5.687 0.445 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1907 2328.9 9.2 scans 94% 137 m/z 0.076% 1.49% 6997 0.8 924 726179 119743365 112005994 2-4 20: 137 81 95 93 69 71 107 55 123 257 109 79 121 67 41 43 80 91 105 136 0.994 44.90 16.7 86 85 90 86 272 62.9 0.463 0.290 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7763 2362.6 8.6 scans 83% 73 m/z 0.15% 0.207% 7096 1.2 354 366503 16697412 15575954 2-2 20: 73 355 147 221 281 356 207 357 222 282 429 341 74 295 283 415 223 267 401 430 0.962 45.78 -0.0 100 100 95 99 503 30.9 0.758 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1026 Methyl stearate 45.9310 2371.5 7.9 scans 87% TIC 0.030% 1.02% 7122 1.3 786 1818982 81946560 76369559 2-3 0.972 45.92 892.8 80 100 97 99 298 122.1 2.412 0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1116 2381.9 8.4 scans 83% 79 m/z (84) 0.19% 0.311% 7153 1.0 428 288529 25052687 23203634 2-4 20: 79 67 95 93 108 80 81 91 55 41 94 107 77 121 135 78 109 149 59 122 0.983 46.13 -1.3 94 95 96 99 292 29.0 0.457 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.3141 2393.5 8.3 scans 22% 191 m/z (264) 6.4% 0.00700% 7187 0.7 65 8573 562961 519597 1-1 10: 191 192 175 121 177 119 134 189 190 193 0.829 46.86 -31.4 61 70 59 73 290 0.0 0.000 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N407_R~1-N1150 ?? UNK 46.46min 46.4009 2398.5 8.5 scans 33% 191 m/z (177) 2.6% 0.0125% 7202 1.0 86 20929 1010676 941675 1-2 4: 191 217 192 235 0.859 46.47 909.2 64 88 79 96 235 12.6 2.158 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4257 2400.0 8.8 scans 4.9% 177 m/z (191) 9.2% 0.00188% 7205 1.5 31 5971 151627 132577 2-3 2: 177 178 0.368 46.49 -4.0 76 88 27 80 290 6.3 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN HCMIX_~1-N1022 ?? Henicosane 46.6264 2411.5 8.4 scans 25% 85 m/z (98) 8.1% 0.00545% 7240 1.1 58 6779 438417 400300 1-0 18: 85 57 43 71 99 169 127 69 112 83 113 84 56 155 141 183 68 42 0.751 46.28 19.8 60 75 76 72 296 0.0 0.000 0.344 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7645 2419.5 7.7 scans 84% 74 m/z 0.13% 0.200% 7263 1.1 372 419895 16132370 14546844 3-3 20: 74 87 43 75 55 143 41 57 298 69 255 199 83 59 97 129 88 101 71 56 0.966 46.76 924.4 79 100 97 99 298 61.6 2.737 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6949 2473.0 7.1 scans 14% 221 m/z 10% 0.00162% 7421 1.0 36 5496 130253 118225 3-5 7: 221 73 295 147 369 296 148 0.666 44.32 1025.7 65 92 57 87 369 9.7 7.397 3.375 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4487 2516.4 9.2 scans 25% 95 m/z (71) 5.0% 0.00440% 7548 0.8 49 10938 353532 326109 6-2 7: 95 286 148 122 123 149 121 0.713 48.48 978.2 63 90 59 86 286 7.0 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9387 2544.6 7.8 scans 62% 73 m/z 1.1% 0.0196% 7632 1.1 114 46330 1576303 1471230 2-5 19: 73 147 355 429 281 356 430 357 221 207 222 341 148 74 283 223 415 149 75 0.815 48.95 994.2 72 96 82 99 429 30.7 7.204 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3561 2626.2 7.7 scans 78% 74 m/z 0.49% 0.0580% 7872 1.0 197 112493 4661660 4287960 2-5 20: 74 87 43 143 75 55 326 57 41 69 83 283 227 97 71 129 88 59 84 56 0.893 50.36 1039.2 77 99 90 98 326 35.6 3.261 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8573 2712.5 7.5 scans 45% 73 m/z 2.9% 0.00639% 8126 1.2 66 18688 513518 477353 3-4 20: 73 147 221 355 281 222 207 341 325 148 295 430 415 504 503 356 431 327 205 505 0.658 51.86 1081.6 72 95 64 92 503 11.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1426 772.1 4.8 scans 92% 77 m/z (74) 0.041% 0.178% 43 2.9 339 1253919 11135450 10081205 0-6 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 60 64 0.998 4.37 18.1 99 100 100 100 77 289.1 72.892 -0.228 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1368 824.0 9.7 scans 47% 57 m/z (69) 1.0% 0.0237% 382 0.4 84 48782 1480624 1014296 2-11 16: 57 41 56 39 59 55 45 87 53 58 42 40 38 86 50 54 0.690 6.03 -137.6 65 95 85 96 102 6.9 0.000 0.104 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5193 834.0 19.1 scans 62% 207 m/z 0.56% 0.0416% 446 2.6 100 92258 2592867 2432181 2-1 16: 207 191 208 115 89 209 176 119 179 192 149 178 161 73 210 211 0.759 6.53 -142.8 80 100 81 99 207 78.4 61.072 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6244 862.8 8.1 scans 89% 69 m/z 0.60% 0.112% 633 1.9 217 85012 7018176 6399645 1-5 20: 69 41 55 83 39 42 57 98 70 97 56 43 53 80 54 79 40 68 81 51 0.967 7.71 7.5 100 99 97 99 98 46.8 4.657 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2508 983.2 >14 scans 27% 125 m/z (110) 1.5% 0.00931% 1417 11.1 68 33004 0.0534% 579874 463360 3325347 0-2 6: 125 194 282 249 266 189 0.647 12.22 36.9 88 96 77 96 281 46.9 47.397 0.031 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6534 993.7 9.4 scans 84% 81 m/z 0.19% 0.128% 1485 1.9 217 260110 7979165 7528045 1-3 19: 81 110 53 39 79 67 41 68 65 82 77 51 95 66 50 54 40 91 52 0.942 13.22 30.1 95 96 91 99 110 64.9 8.933 -0.569 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9179 1000.6 7.9 scans 51% 57 m/z (45) 6.4% 0.0119% 1530 1.0 73 8048 746434 659076 1-3 12: 57 84 43 44 100 69 85 67 54 95 83 70 0.915 12.96 -174.2 66 93 89 97 110 5.2 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1040 ?? Decane 13.6251 1019.8 7.6 scans 60% 71 m/z (74) 2.9% 0.0103% 1650 1.2 69 17504 645031 566250 3-5 13: 71 57 43 70 113 41 112 55 85 56 72 156 97 0.939 12.90 19.8 68 74 82 73 142 0.0 0.000 0.727 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1016 Limonene 13.8884 1026.9 8.3 scans 69% 68 m/z 0.53% 0.0925% 1694 1.3 209 97040 5764868 5146065 2-7 20: 68 93 67 79 94 136 53 121 92 91 107 43 81 39 77 95 41 80 65 51 0.800 13.89 51.6 89 99 93 98 136 40.7 3.810 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0755 1032.0 10.7 scans 50% 108 m/z (82) 1.9% 0.0250% 1726 1.9 89 27152 1561780 1365377 2-3 14: 108 79 107 77 91 51 78 89 80 50 65 52 75 85 0.923 14.11 53.0 86 97 91 97 108 41.2 21.326 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4380 1041.8 9.7 scans 89% TIC 0.042% 0.469% 1787 1.5 410 1220852 29231978 26875110 6-1 0.985 14.44 57.0 91 100 99 100 120 133.6 10.598 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1629 1061.4 10.6 scans 86% 105 m/z 0.13% 0.206% 1910 1.4 271 396010 0.247% 12855848 12207434 15381287 2-0 20: 105 77 123 51 46 106 50 78 74 76 75 52 79 49 124 62 68 61 53 38 0.979 15.17 64.0 89 100 97 99 123 97.3 12.902 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN 98-86-2 ? Acetophenone 15.2550 1063.9 >10 scans 54% 120 m/z 0.44% 0.0439% 1925 2.0 139 114986 2735766 2449993 1-1 14: 120 105 107 78 140 121 52 76 62 61 104 66 108 38 0.880 15.29 -181.8 76 96 87 99 120 47.7 11.837 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4191 1068.4 9.0 scans 81% TIC 0.11% 0.280% 1954 1.4 344 464135 17471543 16107315 1-6 0.946 15.43 66.7 88 99 94 100 124 100.4 8.500 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1002 Undecane 16.5862 1100.0 8.7 scans 59% 71 m/z (267) 1.0% 0.0393% 2152 1.1 133 47104 2449949 2330792 1-1 20: 71 57 43 85 41 56 70 84 55 127 69 99 42 72 170 86 93 112 270 73 0.949 16.59 -0.0 82 87 91 87 156 4.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1016 Nonanal 16.7550 1107.1 >9 scans 100% 109 m/z 0.45% 0.102% 2180 2.4 250 113296 0.349% 6400175 5814230 21733073 0-1 7: 109 46 94 73 269 97 50 0.961 16.82 84.7 81 97 95 98 124 18.2 0.531 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9599 1115.8 8.7 scans 82% 71 m/z 0.16% 0.228% 2214 1.1 319 321442 14234790 12883206 2-6 20: 71 95 43 110 58 128 41 85 55 84 57 69 39 70 68 56 42 67 53 96 0.945 16.97 91.1 80 98 94 100 128 77.5 5.896 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0449 1119.3 10.2 scans 32% 91 m/z (63) 1.3% 0.0183% 2229 1.6 78 39548 1143135 990084 9-4 4: 91 92 122 104 0.914 17.05 93.3 77 99 94 99 122 27.2 12.218 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0656 1162.5 8.9 scans 47% 355 m/z 0.51% 0.0580% 2402 1.4 159 100211 3612021 3467027 1-3 17: 355 267 356 357 251 268 193 191 339 179 205 250 252 269 323 249 154 0.868 18.13 -169.2 79 99 84 99 355 71.2 20.156 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN M4942-N1002 ?? Pyranone 18.1382 1165.5 11.9 scans 3.2% 144 m/z (70) 9.1% 0.00379% 2414 1.7 34 5623 236071 210652 1-3 1: 144 0.733 20.04 -225.0 60 88 68 87 144 17.4 26.184 -1.904 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7031 1189.4 8.6 scans 19% 98 m/z (57) 1.1% 0.0693% 2510 1.0 171 45178 4317068 3792876 2-2 12: 98 111 95 107 125 70 93 81 91 80 110 122 0.947 18.71 138.6 73 95 94 98 153 6.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8224 1194.4 9.0 scans 7.5% 70 m/z (126) 2.5% 0.0301% 2530 1.2 110 20297 1880144 1630004 1-2 9: 70 96 81 93 94 68 72 98 122 0.931 18.83 141.7 68 90 91 97 122 7.5 0.461 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1246 1207.2 >15 scans 13% 82 m/z 0.62% 0.0312% 2581 0.8 130 83098 0.0652% 1946270 1946270 4060161 0-0 18: 82 97 81 54 39 87 57 88 86 67 98 53 58 40 127 71 79 37 0.472 19.12 150.1 70 98 84 97 97 41.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 19.1630 1208.8 18.1 scans 81% 60 m/z (144) 0.23% 0.492% 2588 0.1 346 221558 30658210 28030590 0-8 20: 60 85 69 73 41 55 97 101 57 115 87 88 43 42 45 108 39 56 83 67 0.983 19.87 140.5 73 93 89 98 144 3.6 0.000 -0.708 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2480 1212.4 9.4 scans 11% 119 m/z 5.1% 0.00301% 2602 1.1 38 10116 187471 167867 2-1 3: 119 91 134 0.914 13.76 12.9 72 79 60 78 134 16.3 18.571 5.491 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.4865 1222.5 >5 scans 69% TIC 0.57% 0.0207% 2643 2.5 145 90379 1290669 1201123 0-2 0.951 20.03 151.8 75 95 91 96 122 71.3 24.056 -0.543 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8277 1236.9 10.6 scans 67% 57 m/z (109) 0.57% 0.0705% 2700 1.5 159 89885 4396028 4001401 1-3 19: 57 45 75 87 89 56 100 59 101 132 44 61 33 73 60 88 103 42 77 0.965 19.81 169.4 75 95 95 100 144 3.1 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.3218 1257.8 11.2 scans 51% 98 m/z 0.81% 0.0319% 2784 1.3 114 63324 1989886 1845729 4-1 5: 98 84 97 112 42 0.713 33.32 -9.2 78 82 69 78 226 0.0 0.000 -12.997 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3354 1258.2 11.0 scans 71% 57 m/z (139) 0.77% 0.0563% 2786 0.8 140 66458 3509362 3296110 4-2 17: 57 71 85 43 41 56 99 127 141 70 113 83 86 155 126 58 98 0.946 20.32 0.5 84 88 94 88 170 3.2 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1034 ? Decanal 20.5243 1263.8 8.2 scans 82% 57 m/z (119) 0.76% 0.108% 2818 0.9 220 67368 6776517 6150433 4-2 20: 57 41 55 43 70 82 71 68 83 44 56 81 112 67 69 96 42 84 39 54 0.982 20.57 -143.2 71 90 94 98 138 11.3 0.264 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5243 1263.8 8.2 scans 77% 57 m/z 0.76% 0.0941% 2818 0.9 214 67270 5863529 5321796 4-2 20: 57 41 55 43 70 82 71 68 83 44 56 81 112 67 69 96 42 84 39 54 0.952 20.56 185.1 79 99 98 99 128 18.9 0.778 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9493 1276.6 11.7 scans 54% 94 m/z (137) 0.31% 0.0824% 2890 1.8 165 166620 5137062 4826334 1-2 5: 94 138 66 45 76 0.969 20.98 191.6 77 98 97 99 152 5.7 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9960 1278.0 8.4 scans 78% 137 m/z (94) 0.24% 0.248% 2898 1.0 334 209466 15498011 14619774 2-6 17: 137 152 109 123 81 67 91 79 41 93 119 107 39 55 53 153 110 0.971 21.00 192.7 64 86 78 85 155 0.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1042 ? Phytol 21.2793 1286.5 8.5 scans 28% 56 m/z (45) 2.7% 0.0254% 2946 0.9 103 19117 1582548 1409427 2-3 5: 56 70 71 96 98 0.821 35.35 -10.9 78 85 82 85 196 0.0 0.000 -14.068 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0084 1308.4 8.1 scans 64% 175 m/z 0.043% 0.336% 3070 0.9 402 1177711 20962827 19154029 4-4 20: 175 57 190 176 91 147 115 117 105 191 80 77 66 128 131 64 79 119 159 129 0.880 22.01 208.0 80 100 88 99 190 113.3 7.930 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9098 1335.4 8.7 scans 61% 109 m/z (57) 0.14% 0.255% 3222 1.1 326 364423 15883195 14617219 4-4 7: 109 69 86 110 128 95 170 0.934 22.91 221.8 70 94 85 93 127 40.2 1.525 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 22.9476 1336.6 8.2 scans 80% 57 m/z (102) 0.11% 0.374% 3229 0.7 405 458139 23343254 21266922 4-2 15: 57 71 85 99 84 113 70 127 155 126 112 72 169 141 212 0.993 24.54 199.3 76 97 98 99 169 29.5 0.529 -1.594 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.4299 1351.0 >21 scans 70% 60 m/z 0.12% 0.615% 3311 0.1 391 400833 38315714 33611711 0-6 20: 60 73 57 55 115 129 43 41 69 98 39 45 61 87 56 42 83 70 84 101 0.908 22.70 -124.3 76 97 90 98 158 28.6 0.536 0.734 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8290 1363.0 10.9 scans 44% 57 m/z (149) 0.71% 0.0581% 3378 1.2 134 72443 3621795 3321659 1-2 16: 57 71 85 69 41 55 84 83 111 42 154 153 140 175 141 56 0.786 23.86 -1.0 82 91 79 89 184 17.0 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0858 1371.5 7.2 scans 65% 73 m/z 0.19% 0.140% 3421 1.1 278 270073 8755315 8222516 2-4 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 251 45 75 148 191 0.922 24.17 -152.3 79 99 90 99 429 84.1 9.163 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6802 1391.3 8.6 scans 60% 43 m/z (145) 0.96% 0.0405% 3523 1.1 140 53824 0.0553% 2528058 2445264 3443665 1-0 20: 43 83 41 55 69 82 142 58 113 56 85 111 39 143 70 93 71 67 128 68 0.943 24.70 251.7 70 91 88 98 170 4.5 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1032 ?? Dodecane 25.1808 1408.1 11.3 scans 42% 71 m/z (133) 1.0% 0.0446% 3607 0.9 119 50763 2777429 2555728 2-2 19: 71 57 85 127 41 55 70 126 99 113 56 84 212 118 42 169 197 72 98 0.865 20.36 7.9 66 71 73 71 170 3.9 0.000 4.823 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4907 1418.4 16.1 scans 92% 84 m/z 0.010% 4.01% 3660 0.5 1024 4880796 250023986 233956482 1-6 20: 84 133 162 161 119 118 85 130 82 65 134 78 51 117 91 55 120 63 77 52 0.991 25.89 261.4 78 97 94 97 162 270.7 6.985 -0.401 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN GLAU_R~1-N1080 ?? Solanone 25.7841 1428.2 7.3 scans 26% TIC 1.4% 0.00871% 3709 1.5 94 35171 542427 535192 0-2 0.509 25.78 272.9 69 94 63 94 194 15.2 2.623 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4790 1451.4 8.3 scans 44% 189 m/z (73) 2.8% 0.0217% 3827 0.9 101 18121 1352405 1275638 0-1 18: 189 121 204 69 190 105 148 156 91 153 154 174 205 133 107 175 119 115 0.786 45.98 -28.3 62 70 52 72 204 32.0 10.109 -19.496 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0894 1471.8 6.6 scans 43% 221 m/z 1.3% 0.0179% 3931 1.0 104 37093 1120516 1044784 1-2 20: 221 73 147 281 222 355 356 223 249 267 443 284 269 445 131 74 283 357 149 268 0.848 27.12 296.9 76 97 81 96 355 20.6 3.935 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 8.1 scans 69% 57 m/z (63) 0.43% 0.0785% 3944 1.0 195 117591 0.135% 4894535 4710077 8406776 1-0 20: 57 71 85 43 41 55 56 99 198 70 84 69 113 98 39 112 42 126 141 83 0.968 27.21 -1.4 95 98 96 98 198 20.9 1.150 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1032 ?? Myosmine 28.0374 1506.9 9.2 scans 46% 146 m/z 0.53% 0.0614% 4091 1.3 163 96157 3826492 3401799 2-3 16: 146 145 105 78 131 117 77 190 65 51 175 39 104 133 63 79 0.691 27.93 320.2 65 85 75 94 146 69.3 18.091 0.106 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2127 1513.5 8.5 scans 34% 161 m/z (85) 1.7% 0.0262% 4120 0.9 108 29964 1634962 1513013 0-6 18: 161 121 93 123 136 107 179 119 95 109 81 91 133 105 79 77 177 176 0.893 27.02 340.1 60 84 64 85 208 0.0 0.000 1.196 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3845 1520.0 8.6 scans 73% 80 m/z (71) 0.16% 0.137% 4150 0.9 248 306549 8590115 8109449 2-2 19: 80 171 104 53 91 170 78 172 77 51 65 103 79 39 105 115 52 50 89 0.934 28.39 326.6 76 97 95 99 171 104.2 17.707 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6584 1530.3 8.2 scans 60% 43 m/z (85) 0.12% 0.246% 4196 1.0 338 428519 0.252% 15351399 14338735 15692649 2-2 19: 43 69 41 136 107 151 67 125 93 109 83 81 53 39 68 121 108 79 161 0.810 28.67 332.9 75 100 83 98 194 23.1 0.467 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0953 1546.7 7.7 scans 77% 71 m/z 0.11% 0.349% 4270 1.2 440 439007 0.467% 21746928 20001857 29081218 2-0 20: 71 57 43 85 41 177 70 55 141 113 56 99 112 220 84 69 97 183 135 42 0.963 29.09 343.0 76 96 94 96 220 55.0 1.557 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5304 1563.1 9.7 scans 94% 281 m/z 0.012% 4.27% 4344 0.5 1345 4037048 266105333 249937503 3-1 20: 281 73 147 341 283 503 221 328 329 417 207 265 401 45 222 251 59 295 117 208 0.993 29.61 -150.0 79 98 96 99 503 224.8 2.794 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6797 1568.7 9.3 scans 87% 177 m/z 0.017% 1.76% 4369 0.6 884 2871860 109623854 101610175 2-1 20: 177 43 178 135 157 93 77 105 121 149 133 119 95 41 130 109 117 162 39 65 0.968 29.68 356.2 71 91 91 91 192 99.5 1.267 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7777 1572.4 8.0 scans 75% 123 m/z 0.018% 0.759% 4386 0.9 619 2738473 47274170 43501438 1-3 20: 123 43 135 124 107 91 95 79 109 77 39 81 97 67 93 125 105 193 165 65 0.927 29.77 358.4 79 99 92 99 193 52.9 0.730 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 29.9442 1578.6 8.4 scans 82% 71 m/z (167) 0.081% 0.576% 4414 0.7 483 631791 35872091 33019251 1-3 20: 71 85 57 43 99 113 41 69 55 127 84 70 155 56 83 169 86 42 126 72 0.959 30.38 -16.3 79 83 91 83 212 5.7 0.014 -0.433 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9442 1578.6 8.6 scans 84% TIC 0.076% 0.540% 4414 0.7 490 673892 33641652 29683787 1-4 0.955 29.94 362.2 77 96 94 98 254 13.2 0.073 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5251 1601.1 8.8 scans 90% 191 m/z 0.0096% 1.86% 4513 0.7 925 5357714 116266208 108317073 2-2 20: 191 206 192 163 91 175 41 115 107 73 77 147 128 161 133 117 121 119 135 65 0.995 30.50 376.3 81 100 99 100 206 251.9 7.410 0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8486 1614.7 8.7 scans 20% 124 m/z (95) 1.3% 0.0197% 4567 0.8 92 37524 1231510 1154577 1-3 4: 124 137 180 54 0.925 30.81 385.3 66 90 78 93 180 27.8 9.121 0.042 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8952 1616.7 9.3 scans 47% 162 m/z (95) 0.52% 0.0802% 4575 1.1 183 97938 4997165 4761813 1-2 18: 162 147 161 119 91 105 131 163 77 148 133 115 145 103 51 65 118 132 0.923 30.88 0.7 88 93 83 91 204 20.7 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2589 1632.0 11.4 scans 75% 111 m/z (73) 0.039% 1.38% 4637 0.4 679 1313008 1.54% 86209433 79235924 95899519 2-0 20: 111 109 137 43 67 180 110 95 124 152 41 79 81 69 39 77 112 93 55 123 0.909 31.18 397.0 76 98 95 99 180 146.6 4.653 0.081 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5139 1642.7 12.0 scans 53% TIC 0.51% 0.0560% 4680 1.4 170 101266 3492456 3258018 1-1 0.758 31.52 -0.0 88 92 76 91 166 28.6 2.836 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8002 1654.7 8.9 scans 16% 193 m/z (95) 1.1% 0.0145% 4728 1.1 79 45764 907034 823081 3-3 5: 193 208 194 175 209 0.761 31.80 0.2 61 70 29 74 208 19.9 6.401 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9147 1659.5 8.2 scans 50% 71 m/z (210) 1.0% 0.0698% 4748 0.6 167 51123 4348559 4087711 1-1 20: 71 57 85 43 82 55 69 126 41 99 70 113 97 56 67 155 127 84 112 111 0.809 31.92 -0.2 78 86 92 90 219 3.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0416 1664.9 6.6 scans 34% 221 m/z 0.44% 0.0604% 4769 1.0 191 115353 3766692 3434194 2-2 14: 221 73 147 207 295 222 341 131 355 223 148 296 325 281 0.510 32.08 -1.5 94 97 84 98 355 31.3 2.681 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2329 1672.9 8.7 scans 64% 57 m/z (157) 0.43% 0.102% 4802 1.0 211 119068 6405522 5734650 2-1 20: 57 71 43 85 149 105 41 183 99 56 55 113 77 70 182 100 211 42 69 127 0.974 32.24 -0.2 88 90 93 95 226 9.9 0.220 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4360 1681.4 11.3 scans 41% 57 m/z 0.64% 0.0523% 4836 1.1 157 79752 3262977 3143837 0-1 20: 57 85 71 197 56 43 41 196 55 83 113 123 168 84 141 153 67 111 86 109 0.725 32.44 -0.3 82 88 75 86 226 6.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6821 1691.8 8.6 scans 73% 205 m/z 0.66% 0.203% 4878 0.9 320 77248 12703435 12133153 1-2 20: 205 91 119 43 105 93 159 79 107 147 162 41 187 77 131 106 149 121 133 146 0.905 32.67 0.3 93 94 89 96 220 19.5 0.369 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8840 1700.3 >9 scans 52% TIC 1.2% 0.0657% 4912 0.0 202 40958 0.157% 4093973 3864983 9776769 1-0 0.846 32.87 0.8 64 64 69 77 186 5.8 0.082 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9348 1702.4 8.0 scans 46% 71 m/z 0.11% 0.0997% 4921 0.7 222 447596 6214363 5648448 3-5 12: 71 43 159 111 243 155 72 173 143 98 89 73 0.844 32.93 0.1 93 97 88 95 243 37.7 2.871 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1212 ? Hexadecene 33.0842 1708.7 7.2 scans 36% 83 m/z (179) 2.7% 0.0256% 4946 1.1 120 18531 1596460 1594244 1-0 20: 83 97 57 69 55 43 56 70 85 84 82 71 125 98 196 54 110 68 42 112 0.905 33.09 -0.0 78 83 87 94 224 5.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3061 1718.0 7.6 scans 65% 57 m/z (73) 0.37% 0.101% 4983 0.8 217 138882 6349083 5952279 2-1 17: 57 71 43 85 41 55 99 56 70 226 113 42 112 72 98 141 58 0.971 33.37 -2.8 87 89 96 98 226 25.1 1.344 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8911 1728.2 >9 scans 48% TIC 0.87% 0.0240% 5083 1.0 147 58976 0.0747% 1498994 1423579 4651749 0-1 0.817 33.90 -0.1 91 98 89 96 197 27.4 3.467 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2713 1733.6 7.4 scans 20% 57 m/z (91) 1.6% 0.0173% 5147 0.9 94 31832 1078524 965930 1-2 17: 57 71 43 85 98 41 211 210 127 105 183 113 58 69 70 53 141 0.850 34.27 0.0 87 95 87 94 211 17.0 3.257 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3870 1735.3 21.9 scans 87% TIC 0.010% 8.47% 5167 0.8 1422 5017949 10.0% 527496991 504199946 622724152 2-0 0.992 34.39 452.3 80 100 97 100 415 174.5 1.507 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9118 1742.8 >22 scans 85% 155 m/z 0.019% 2.56% 5256 0.2 797 2587996 159611529 151642120 0-2 20: 155 199 90 65 184 120 44 137 106 77 39 156 200 64 51 134 109 78 41 154 0.986 34.79 453.8 80 100 98 99 199 225.5 8.010 0.126 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.5098 1751.4 11.5 scans 20% 83 m/z (71) 3.2% 0.0366% 5357 1.0 105 16053 2279782 2002717 1-1 19: 83 82 97 73 68 69 96 70 94 168 55 111 56 39 81 67 98 54 223 0.774 34.90 8.7 70 73 80 77 224 2.3 0.000 0.609 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7023 1754.1 8.8 scans 51% 123 m/z (70) 0.22% 0.124% 5390 1.2 230 231100 7737949 7184311 7-2 16: 123 193 124 125 79 105 77 131 133 121 195 151 147 194 165 167 0.956 35.70 451.4 71 93 93 94 224 14.3 0.387 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4945 1765.4 7.0 scans 16% 221 m/z 0.44% 0.0631% 5524 1.1 189 116678 3932333 3665646 1-5 17: 221 73 147 295 281 222 369 223 296 341 148 282 370 297 208 327 283 0.803 36.58 448.9 75 98 78 97 369 31.8 2.828 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1935 1775.4 8.3 scans 13% 165 m/z (43) 1.8% 0.0159% 5643 1.2 86 28134 992933 931034 1-0 8: 165 105 194 179 159 210 89 189 0.674 37.20 449.1 68 94 78 97 224 27.0 9.831 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0595 1787.8 8.6 scans 54% TIC 0.39% 0.0686% 5789 0.9 208 129739 4274718 3899276 2-1 0.871 38.06 448.1 75 97 87 96 225 37.0 3.180 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5742 1795.2 10.1 scans 82% 73 m/z 0.020% 4.07% 5876 0.6 1293 2564254 253724778 241247301 2-2 20: 73 147 221 355 281 430 341 431 356 222 295 342 148 325 343 327 208 265 133 358 0.857 38.59 447.1 80 99 78 99 429 413.4 10.231 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1016 Octadecane 38.8293 1798.8 10.0 scans 25% 56 m/z (99) 1.0% 0.0309% 5919 0.7 116 48191 1929245 1929245 0-0 17: 56 183 254 98 224 154 175 54 140 110 255 209 225 74 194 182 170 0.857 38.91 -1.2 82 92 77 88 254 13.2 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4479 1866.7 7.7 scans 36% 74 m/z (123) 1.2% 0.0266% 6024 1.0 115 40356 1657137 1552447 2-4 15: 74 87 143 75 102 213 129 229 256 59 225 228 211 227 214 0.870 39.45 505.2 68 96 88 98 256 15.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1018 ? Neophytadiene 39.7632 1905.8 7.6 scans 88% 68 m/z 0.13% 0.575% 6077 1.0 562 384404 35831489 32451489 2-2 20: 68 95 82 69 57 43 55 81 83 67 41 71 97 96 109 124 111 85 56 79 0.991 39.94 536.7 79 98 98 98 278 28.4 0.256 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8859 1921.0 7.9 scans 74% 58 m/z (249) 0.36% 0.174% 6098 1.1 288 142566 10857203 9976086 1-4 16: 58 43 71 59 85 55 109 95 41 110 124 123 56 81 82 250 0.986 39.88 552.7 76 98 99 99 250 28.6 0.984 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3074 1973.3 7.8 scans 49% 149 m/z (75) 0.19% 0.0640% 6170 1.1 175 263240 3990135 3698379 2-2 12: 149 150 223 104 76 167 65 132 224 205 50 121 0.952 40.31 598.4 76 98 95 99 223 36.0 4.223 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N406_R~1-N1110 ? Phytol 40.3883 1983.3 17.2 scans 32% TIC 1.3% 0.0147% 6183 1.3 137 38059 0.0310% 919620 919620 1930445 0-0 0.750 40.66 -33.9 77 89 64 87 278 18.3 1.786 -0.274 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6038 2010.0 7.3 scans 60% 221 m/z (239) 0.57% 0.0634% 6220 1.1 183 89842 3954191 3681822 2-3 20: 221 73 147 295 207 222 369 223 296 281 282 297 148 370 208 74 224 355 371 283 0.947 40.63 629.9 75 97 97 99 369 29.4 2.593 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1254 Phytol 40.8570 2041.4 >8 scans 41% TIC 1.5% 0.0287% 6263 0.7 149 33614 0.0588% 1789593 1698360 3661618 2-0 0.832 40.87 -1.3 82 86 73 87 278 18.6 1.548 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BQLD_R~1-N1056 Homosalate 40.9958 2058.6 8.1 scans 54% 138 m/z 0.46% 0.0829% 6286 1.1 218 111329 5164618 4637298 1-2 18: 138 109 120 69 121 124 83 139 92 65 262 82 81 93 95 68 39 67 0.922 41.00 672.8 80 100 97 100 262 28.3 1.685 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N407_R~1-N1144 ?? Sclareoloxide 41.0944 2070.8 9.9 scans 28% 109 m/z (70) 3.7% 0.0389% 6303 1.4 124 13687 2426597 2272269 1-2 16: 109 262 123 191 247 236 133 122 173 137 219 263 115 190 229 244 0.767 41.13 683.0 67 95 80 95 262 20.5 2.759 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2431 2089.3 8.4 scans 72% 79 m/z 0.26% 0.219% 6328 1.0 329 191484 13649891 12786484 2-2 20: 79 67 93 95 80 91 55 108 41 81 121 77 94 107 135 87 59 78 105 122 0.897 41.26 -1.7 98 99 90 98 264 23.7 0.517 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4491 2114.8 8.4 scans 76% TIC 0.32% 0.267% 6363 0.8 367 157440 16688914 15238254 4-1 0.913 41.49 -81.8 85 100 93 99 276 24.5 0.446 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8388 2139.0 8.8 scans 47% 57 m/z (74) 1.1% 0.0639% 6429 0.7 152 46669 3982230 3483487 3-2 20: 57 71 43 84 85 70 55 69 41 97 113 83 125 99 98 111 81 126 82 136 0.931 41.48 20.0 65 72 84 75 268 2.1 0.000 0.356 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0277 2149.6 8.9 scans 93% 74 m/z 0.016% 2.25% 6461 0.6 1010 3054022 140229705 131975744 2-2 20: 74 87 143 43 55 75 227 270 41 69 57 129 83 59 185 101 171 199 88 71 0.991 42.01 747.6 80 99 99 99 272 24.3 0.058 0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.1693 2157.5 8.0 scans 4.0% 97 m/z 7.7% 0.00149% 6485 1.0 35 6683 92876 90236 0-1 20: 97 81 55 96 93 95 137 109 79 175 67 91 149 98 123 136 257 187 134 201 0.136 42.40 -12.9 66 77 10 70 272 5.7 0.000 -0.230 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.1693 2157.5 8.0 scans 29% 97 m/z (57) 2.8% 0.0176% 6485 1.0 94 18031 1097098 1065916 0-1 20: 97 81 55 96 93 95 137 109 79 175 67 91 149 98 123 136 257 187 134 201 0.879 42.05 6.9 68 71 62 75 272 5.7 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3240 2166.2 8.8 scans 87% 73 m/z 0.083% 0.485% 6511 1.1 466 620118 30213790 28497762 2-3 20: 73 147 281 221 355 429 503 207 341 282 222 430 504 283 148 74 356 415 295 505 0.978 42.37 757.2 75 92 95 99 503 75.2 2.599 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1238 ?? Trachylobane 44.1464 2268.8 8.6 scans 12% 93 m/z (171) 21% 0.00357% 6819 0.6 39 2350 222873 208632 0-2 14: 93 135 216 272 53 355 119 95 81 80 65 120 133 131 0.529 44.15 -0.5 69 92 49 86 272 6.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN N419_R~1-N1158 ?? Manool oxide 44.2668 2275.7 8.4 scans 22% 275 m/z (221) 8.9% 0.00973% 6840 1.1 68 5746 605920 572380 1-1 14: 275 192 257 81 137 123 161 177 175 107 93 121 189 119 0.759 43.83 838.1 69 96 74 94 275 18.9 7.694 0.440 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2945 2277.3 7.1 scans 55% 221 m/z (79) 0.89% 0.0378% 6845 1.2 141 57710 0.0409% 2358346 2211825 2546942 2-0 18: 221 73 147 281 222 369 296 355 207 223 148 297 282 370 372 356 402 208 0.874 44.32 830.0 73 94 93 99 369 25.8 3.361 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1623 2327.3 8.7 scans 74% 137 m/z (180) 1.3% 0.100% 6992 1.1 202 38708 6269909 5685649 2-5 15: 137 95 81 93 107 79 257 123 121 109 67 91 80 105 136 0.942 44.90 15.1 82 84 84 84 272 14.6 0.519 0.261 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7898 2363.4 7.6 scans 70% 73 m/z (69) 0.41% 0.0851% 7098 1.0 205 123196 5304444 4968976 2-2 20: 73 355 147 221 281 356 207 429 282 341 222 148 295 283 74 223 357 415 401 503 0.921 45.78 0.8 97 99 93 98 503 19.0 0.852 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1026 Methyl stearate 45.9292 2371.4 7.9 scans 85% 74 m/z 0.034% 1.05% 7122 0.9 717 1505984 65846732 59826995 2-4 20: 74 87 43 143 75 255 55 57 298 69 41 199 83 97 129 101 59 71 56 185 0.987 45.92 892.7 80 100 99 99 298 117.9 2.704 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1086 2381.7 8.2 scans 83% 79 m/z (84) 0.15% 0.440% 7152 1.0 447 327391 27426896 25407696 1-4 20: 79 67 95 93 108 80 81 91 41 94 107 77 121 135 78 149 109 59 122 136 0.981 46.13 -1.5 94 95 96 99 292 32.5 0.529 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 46.4067 2398.9 12.3 scans 27% 109 m/z (113) 6.5% 0.0172% 7202 1.0 72 7942 1072426 963715 1-2 8: 109 235 137 69 81 107 93 190 0.583 45.56 48.5 67 86 53 81 290 5.5 0.000 0.844 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.4067 2398.9 12.3 scans 21% 109 m/z (147) 6.6% 0.0132% 7202 1.0 63 7738 823045 739613 1-2 8: 109 235 137 69 81 107 93 190 0.563 46.86 -26.0 61 76 40 72 290 2.4 0.000 -0.452 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4256 2400.0 9.2 scans 4.6% 177 m/z (147) 10% 0.00178% 7206 0.9 27 4812 0.00178% 110831 92202 110845 5-6 4: 177 195 290 178 0.305 46.49 -4.0 69 82 24 75 290 6.9 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1022 ?? Henicosane 46.6263 2411.5 8.7 scans 30% 155 m/z (152) 7.0% 0.00845% 7240 0.7 60 7375 526746 487668 2-0 18: 155 85 110 127 99 113 70 183 141 79 82 83 41 42 73 72 153 211 0.791 46.28 19.8 65 79 77 76 296 0.0 0.000 0.344 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7621 2419.3 8.2 scans 88% TIC 0.11% 0.313% 7263 1.0 394 465155 19552072 17956613 3-4 0.966 46.76 924.2 79 99 97 99 298 70.4 3.183 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BQLD_R~1-N1052 Dodecyl p-hydroxybenzoate 47.5018 2461.9 7.9 scans 86% 138 m/z 0.21% 0.172% 7388 1.0 297 239383 10734760 9965508 2-3 20: 138 120 121 57 139 43 55 41 71 70 69 111 56 85 92 65 93 306 83 168 0.974 47.50 949.1 80 99 97 99 168 35.2 1.401 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9339 2544.4 7.9 scans 75% 73 m/z (105) 0.76% 0.0465% 7631 1.0 149 67593 2901337 2689043 2-5 20: 73 147 221 355 429 281 356 430 357 295 222 283 74 249 133 149 207 265 251 327 0.895 48.95 994.0 74 96 95 99 429 39.0 6.878 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3519 2625.9 7.7 scans 78% 74 m/z 0.55% 0.0642% 7871 1.1 182 93953 4001655 3681898 2-4 20: 74 87 43 75 143 55 326 57 69 283 41 83 97 71 227 88 59 101 327 199 0.889 50.36 1038.9 77 99 90 97 326 35.5 3.832 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8567 2712.5 8.1 scans 63% 222 m/z 1.4% 0.0221% 8125 1.2 101 34727 1378466 1277183 2-6 16: 222 295 503 296 341 148 430 325 429 369 356 223 399 342 431 401 0.774 51.86 1081.6 76 99 78 97 503 15.7 2.452 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6354 2872.4 9.5 scans 46% 73 m/z (43) 5.1% 0.00752% 8597 1.1 54 9991 468526 430948 3-6 13: 73 221 147 355 356 357 295 222 429 223 148 74 431 0.727 45.81 1395.9 67 95 75 93 503 7.7 2.073 8.823 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 61.1302 3246.9 22.2 scans 32% 99 m/z (207) 10% 0.00729% 9696 0.9 39 5109 454054 453350 1-0 8: 99 127 55 85 57 111 98 84 0.779 36.21 1396.0 61 89 75 85 240 0.0 0.000 24.919 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1132 771.3 5.2 scans 83% 77 m/z 0.055% 0.185% 38 3.2 268 785513 8190528 6432964 8-5 12: 77 45 78 79 62 76 59 75 63 47 46 92 0.991 4.37 17.3 100 100 99 100 77 229.0 73.017 -0.258 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5206 834.0 19.8 scans 68% 207 m/z 0.49% 0.0610% 446 2.8 102 87018 2695217 2453177 2-1 17: 207 208 191 133 119 177 210 147 88 209 192 89 194 104 59 178 149 0.827 6.53 -142.8 79 100 87 99 207 76.2 55.546 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6239 862.7 8.0 scans 90% 41 m/z 0.34% 0.232% 633 1.9 266 125627 10246435 8985096 2-5 20: 41 69 55 83 39 42 57 98 70 97 56 43 80 53 54 79 68 40 51 81 0.985 7.71 7.4 100 99 97 99 98 55.3 4.326 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2102 982.1 11.3 scans 18% 281 m/z 0.50% 0.0393% 1410 2.4 99 84827 1735610 1592320 2-2 17: 281 43 282 99 71 283 265 207 249 125 100 251 111 284 266 205 69 0.525 12.22 35.8 92 99 75 99 281 75.3 57.805 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6565 993.8 9.8 scans 59% 81 m/z 0.39% 0.0749% 1486 1.8 137 108087 3307467 2937553 2-2 15: 81 110 53 79 67 77 51 65 82 66 95 50 91 40 52 0.909 13.22 30.2 94 96 88 98 110 41.5 9.140 -0.566 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1022 ?? Octanal 12.9133 1000.5 8.2 scans 43% 56 m/z (281) 4.9% 0.0194% 1529 1.2 78 8803 858468 768679 0-3 12: 56 57 84 41 68 55 85 69 82 110 100 66 0.872 12.96 -174.3 69 94 87 99 110 8.3 1.132 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1040 ?? Decane 13.6223 1019.7 7.8 scans 31% 71 m/z (74) 5.8% 0.00555% 1649 1.4 44 7417 245260 240127 1-0 4: 71 57 113 72 0.854 12.90 19.7 64 73 69 71 142 1.8 0.000 0.724 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1024 ? p-Cymene 13.7150 1022.2 8.9 scans 20% 119 m/z (51) 4.8% 0.00390% 1665 1.4 33 8924 172362 150531 3-2 6: 119 134 91 117 63 115 0.692 13.76 -177.3 72 99 72 97 134 12.9 15.502 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1016 Limonene 13.8897 1026.9 8.2 scans 72% TIC 0.57% 0.0903% 1694 1.2 181 74680 3985888 3625808 2-2 0.881 13.89 51.6 91 99 93 99 136 36.2 3.997 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0786 1032.0 10.3 scans 87% 79 m/z 0.16% 0.319% 1727 1.7 281 254914 14097546 12626762 3-3 20: 79 108 107 77 51 91 78 50 80 90 89 65 63 109 39 52 53 105 74 62 0.983 14.11 53.0 92 100 98 100 108 125.5 19.922 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4552 1042.2 9.6 scans 92% 91 m/z 0.014% 1.53% 1790 0.9 647 2958883 67573851 61110139 2-7 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 38 66 74 52 61 41 0.993 14.44 57.4 91 100 99 100 120 213.1 10.843 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1642 1061.5 10.4 scans 87% TIC 0.097% 0.306% 1910 1.4 287 444889 0.363% 13507076 12377812 16022205 8-0 0.977 15.17 64.1 90 100 98 100 123 102.8 12.804 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN 98-86-2 ? Acetophenone 15.2510 1063.8 >9 scans 71% 105 m/z 0.30% 0.0791% 1925 3.0 158 140026 3495284 3250519 0-3 16: 105 77 51 50 106 62 121 122 125 90 75 78 74 76 63 130 0.915 15.29 -181.9 77 97 94 99 120 46.6 8.686 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4228 1068.5 8.8 scans 48% 95 m/z 0.82% 0.0335% 1954 1.3 108 52613 1481009 1333905 2-1 17: 95 81 124 79 43 109 53 39 41 66 82 96 125 38 51 80 52 0.821 15.43 66.8 85 99 85 98 124 34.1 9.999 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1028 ? p-Cymenene 16.2050 1089.6 8.1 scans 24% 132 m/z (99) 5.3% 0.00562% 2087 1.1 42 8038 248382 218004 1-1 10: 132 117 115 91 116 133 131 92 118 89 0.763 16.25 -185.0 70 98 80 97 132 23.2 30.180 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1002 Undecane 16.5887 1100.1 >12 scans 31% TIC 1.3% 0.0174% 2152 1.2 92 31880 770446 700945 1-2 0.699 16.59 0.1 89 95 68 93 156 10.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1016 Nonanal 16.7723 1107.8 8.2 scans 79% TIC 0.43% 0.145% 2183 1.0 222 98348 6422184 5365273 7-8 0.952 16.82 85.4 81 98 94 97 124 14.9 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9641 1115.9 >11 scans 60% TIC 0.77% 0.0426% 2215 1.1 130 56052 0.0932% 1881537 1839484 4113690 1-0 0.889 16.97 91.2 80 99 92 99 128 31.1 5.732 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0427 1119.2 10.1 scans 59% 91 m/z 0.31% 0.0771% 2228 1.7 141 136973 3405858 3070322 5-3 12: 91 92 122 65 93 51 63 89 104 62 120 90 0.892 17.05 93.2 80 99 87 98 122 51.2 13.168 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0669 1162.5 >12 scans 52% TIC 0.38% 0.0850% 2402 0.8 157 113615 0.158% 3752938 3432185 6973852 2-0 0.925 18.13 -169.2 79 99 92 99 355 63.5 16.439 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.1389 1165.6 10.9 scans 21% 144 m/z 1.0% 0.0411% 2414 1.4 101 42636 1817745 1641400 3-4 3: 144 44 72 0.829 18.22 122.1 70 91 70 90 144 51.8 26.087 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN M4942-N1002 ? Pyranone 18.1389 1165.6 10.9 scans 35% 144 m/z (355) 1.0% 0.0717% 2414 1.4 129 42435 3165087 2858032 3-4 3: 144 44 72 0.907 20.04 -224.9 70 94 89 95 144 52.0 16.192 -1.903 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7103 1189.7 8.4 scans 3.7% 107 m/z (136) 4.3% 0.0142% 2511 0.7 69 10004 629524 629524 0-0 6: 107 135 95 80 96 124 0.675 18.71 138.9 64 96 63 92 153 3.1 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8296 1194.7 >13 scans 15% TIC 0.94% 0.0231% 2531 0.9 158 45840 1022803 945528 1-0 0.867 18.83 142.0 69 91 86 98 122 9.3 0.348 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1266 Octanoic acid 19.9122 1240.5 >21 scans 88% 60 m/z 0.073% 1.96% 2715 0.1 577 589736 86912333 84083630 0-6 20: 60 69 85 73 41 55 97 101 87 115 43 57 88 39 82 83 42 45 56 108 0.951 22.03 -68.6 82 92 91 99 175 0.0 0.000 -2.122 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 20.1425 1250.2 11.7 scans 76% 105 m/z 0.15% 0.238% 2754 0.1 257 279686 10522600 9924335 1-4 19: 105 122 77 51 50 123 106 76 78 74 75 52 94 39 49 38 66 37 63 0.961 20.03 179.5 75 95 93 95 122 127.5 24.539 0.113 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1024 Hexadecane 20.3320 1258.1 >12 scans 47% TIC 1.2% 0.0256% 2786 1.5 96 34574 1131626 1023412 0-2 0.809 33.32 -8.9 80 83 77 87 226 0.0 0.000 -12.987 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1004 ? Dodecane 20.3379 1258.2 >11 scans 44% 57 m/z (86) 1.3% 0.0335% 2786 1.3 94 31014 1481218 1423967 0-3 13: 57 71 85 43 99 113 127 56 155 69 83 55 112 0.820 20.32 0.5 73 80 77 79 170 2.8 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5309 1264.0 8.2 scans 72% 57 m/z 0.86% 0.0957% 2819 1.0 184 49971 4225053 3806783 3-2 20: 57 41 55 70 82 71 43 68 83 56 44 112 67 81 69 96 42 39 54 109 0.973 20.56 185.3 79 99 99 99 128 17.1 0.865 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1034 ? Decanal 20.5309 1264.0 8.2 scans 74% 57 m/z (85) 0.85% 0.111% 2819 1.0 186 50716 4938954 4450008 3-2 20: 57 41 55 70 82 71 43 68 83 56 44 112 67 81 69 96 42 39 54 109 0.979 20.57 -143.0 76 98 98 98 138 10.3 0.309 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9654 1277.1 11.4 scans 39% 94 m/z 0.21% 0.0929% 2893 1.6 155 198421 4102405 3695429 2-2 17: 94 138 77 66 88 51 45 87 59 63 78 99 50 73 89 71 74 0.638 20.98 192.1 73 98 64 96 152 5.6 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.0026 1278.2 9.0 scans 45% 137 m/z (44) 0.68% 0.102% 2899 1.0 173 62767 4505742 4078003 2-3 14: 137 152 109 123 81 67 91 93 119 53 110 124 108 106 0.652 21.00 192.9 74 99 61 97 155 0.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2842 1286.6 10.6 scans 8.6% 57 m/z (97) 3.9% 0.0132% 2947 1.1 62 10878 583687 533237 6-0 13: 57 56 71 70 99 49 67 55 111 96 48 58 72 0.755 16.82 -4.8 68 80 49 74 124 4.6 0.000 4.469 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0091 1308.4 7.9 scans 77% 175 m/z 0.056% 0.306% 3070 1.0 332 768403 13514341 12422141 5-2 19: 175 57 190 176 91 147 115 117 65 80 105 128 119 77 131 64 159 129 79 0.952 22.01 208.0 80 100 93 99 190 91.9 7.669 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9212 1335.8 8.5 scans 19% 109 m/z (71) 0.45% 0.0817% 3225 1.2 160 95481 3609590 3351155 7-3 6: 109 86 110 341 327 415 0.807 22.91 222.2 61 90 74 91 127 20.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 22.9465 1336.5 8.1 scans 52% 71 m/z (109) 0.18% 0.265% 3229 1.0 290 238918 11735335 10645188 7-2 13: 71 85 57 99 113 127 70 84 155 126 72 112 169 0.960 24.54 199.2 74 96 94 98 169 20.6 0.503 -1.595 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.3739 1349.4 >20 scans 83% 60 m/z (138) 0.11% 1.03% 3301 0.1 395 385801 1.11% 45580205 41833074 48993520 2-2 20: 60 73 57 115 55 41 129 43 98 87 69 56 45 101 61 39 83 42 70 96 0.990 22.70 -125.9 73 93 91 98 158 29.8 0.569 0.678 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.3739 1349.4 >20 scans 87% 60 m/z 0.11% 0.993% 3301 0.1 405 372828 1.07% 43845654 40241120 47227988 2-2 20: 60 73 57 115 55 41 129 43 98 87 69 56 45 101 61 39 83 42 70 96 0.985 25.35 200.2 76 94 94 99 162 0.0 0.000 -1.980 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.6968 1359.0 7.2 scans 58% 71 m/z (172) 1.0% 0.0396% 3356 1.0 123 41478 1749454 1667689 1-1 20: 71 57 85 43 99 41 113 84 70 127 55 155 56 59 72 83 42 126 173 112 0.947 23.86 -5.0 75 78 89 80 184 0.0 0.000 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0812 1371.3 7.4 scans 70% 73 m/z 0.19% 0.177% 3421 1.1 259 225463 7835444 7345845 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 327 207 59 432 191 75 45 251 311 0.952 24.17 -152.5 79 99 92 99 429 78.1 9.068 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7087 1392.3 9.5 scans 39% 43 m/z 1.2% 0.0249% 3528 1.2 94 35790 1099500 1015898 1-2 16: 43 83 82 111 41 58 67 113 93 142 127 39 128 68 112 108 0.756 24.70 252.7 74 96 73 94 170 4.1 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.5381 1420.0 17.4 scans 80% 84 m/z 0.066% 0.668% 3668 2.1 346 649600 29523591 28124521 1-1 19: 84 133 162 42 119 92 134 130 117 82 118 78 51 63 39 55 77 91 132 0.951 25.89 263.0 75 94 86 94 162 91.8 7.041 -0.354 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1080 ? Solanone 25.8002 1428.7 7.9 scans 88% 93 m/z 0.059% 0.603% 3712 0.8 467 731444 26641510 24955652 2-2 20: 93 121 43 136 91 79 77 194 81 94 41 123 107 95 108 67 137 92 122 39 0.973 25.78 273.4 75 94 90 96 194 71.7 2.360 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.1190 1439.4 11.9 scans 11% 171 m/z (60 121) 9.1% 0.00878% 3767 1.8 42 4731 387748 297477 8-6 8: 171 356 269 357 105 193 268 251 0.495 18.09 397.8 61 91 36 94 355 17.8 18.300 8.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0989 1472.1 6.9 scans 34% 221 m/z 1.9% 0.0152% 3932 1.1 80 22074 671277 642101 2-2 17: 221 73 147 222 267 355 223 356 443 282 268 148 281 283 444 357 205 0.836 27.12 297.2 75 96 78 95 355 16.1 4.052 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 7.4 scans 71% 57 m/z (119) 0.43% 0.0862% 3944 1.2 174 99103 0.130% 3807117 3470146 5737980 2-0 19: 57 71 43 85 41 55 56 70 99 198 84 42 98 113 112 126 127 199 141 0.980 27.21 -1.4 96 98 96 98 198 21.7 1.557 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8427 1499.6 9.8 scans 60% 57 m/z (121) 0.90% 0.117% 4058 1.6 177 47661 5183587 4870405 1-3 19: 57 43 41 91 79 55 168 69 133 56 67 39 113 119 161 148 80 94 108 0.839 27.84 314.3 61 89 83 97 212 6.6 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1032 ? Myosmine 28.0299 1506.7 9.2 scans 42% 118 m/z (165) 0.66% 0.0547% 4090 1.4 127 65072 2414758 2283303 1-4 6: 118 146 145 78 63 42 0.579 27.93 320.0 72 99 79 98 146 57.3 20.226 0.099 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3805 1519.8 8.9 scans 47% 80 m/z 0.54% 0.0382% 4149 1.0 112 79789 1687462 1556442 3-4 12: 80 171 104 53 172 170 78 77 65 51 103 165 0.850 28.39 326.4 75 96 81 95 171 53.1 22.595 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6621 1530.4 7.9 scans 72% 43 m/z (166) 0.18% 0.232% 4197 1.0 267 229419 10279665 8662951 6-10 17: 43 69 41 151 136 107 125 67 93 109 53 39 81 108 79 161 77 0.984 28.67 333.0 77 99 99 99 194 18.3 0.471 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0913 1546.6 7.7 scans 68% 71 m/z (73) 0.11% 0.465% 4270 1.2 395 380119 0.537% 20535027 19206854 23702271 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 69 183 97 42 72 127 140 0.849 29.10 342.7 69 94 91 96 227 8.2 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1010 Contamination 29.61min 29.5169 1562.6 8.3 scans 81% TIC 0.11% 0.384% 4342 1.2 371 387559 16979871 15655722 2-1 0.973 29.61 -150.5 80 99 96 99 503 63.5 2.920 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6657 1568.2 8.3 scans 74% 177 m/z 0.045% 0.628% 4367 0.8 466 954845 27745932 25865472 5-1 18: 177 158 178 91 135 157 77 105 93 107 149 79 159 133 121 122 119 192 0.901 29.68 355.7 68 88 83 88 192 55.5 1.417 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7654 1571.9 8.1 scans 56% 123 m/z 0.063% 0.222% 4384 1.1 280 685418 9809876 9041871 1-3 17: 123 43 135 124 107 91 95 79 109 77 39 193 81 105 53 125 93 0.773 29.77 357.9 77 98 77 97 193 25.6 0.830 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9384 1578.4 9.0 scans 83% TIC 0.15% 0.288% 4413 0.6 319 277270 12722815 11667876 1-1 0.956 29.94 362.0 77 97 94 98 254 8.8 0.076 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.3215 1592.8 8.2 scans 43% 57 m/z (168) 0.68% 0.0512% 4478 1.1 141 63437 0.0850% 2264124 2258207 3751756 1-0 19: 57 71 43 85 41 212 56 55 99 70 42 84 98 83 113 140 86 126 58 0.953 30.38 -2.1 87 91 93 94 212 18.5 1.730 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5051 1600.3 7.9 scans 88% 191 m/z 0.019% 0.962% 4509 0.9 588 2269101 42485333 39099574 2-2 20: 191 206 192 57 163 74 91 175 41 115 107 77 207 73 147 128 88 161 105 133 0.987 30.50 375.5 80 100 99 100 206 157.9 7.205 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8239 1613.7 8.4 scans 57% 124 m/z 0.27% 0.117% 4563 1.0 201 155461 5206042 4835739 3-4 13: 124 137 55 180 125 138 54 82 96 123 110 181 152 0.892 30.81 384.3 78 98 85 97 180 56.4 7.853 0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8753 1615.8 >7 scans 65% TIC 0.65% 0.0569% 4572 2.2 179 66109 0.186% 2514178 2411135 8209725 0-1 0.913 30.88 -0.2 89 90 81 91 204 38.1 4.534 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2082 1629.8 9.6 scans 72% 111 m/z 0.10% 0.422% 4628 0.7 357 423828 18658751 17435708 2-2 20: 111 109 137 180 67 110 43 124 152 95 79 41 81 39 77 112 69 91 53 93 0.886 31.18 394.8 77 97 84 98 180 83.0 5.396 0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 9.4 scans 46% TIC 0.76% 0.0298% 4679 1.1 122 56338 1317818 1264814 0-2 0.796 31.52 -0.3 94 96 80 94 166 25.7 4.437 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7915 1654.3 9.7 scans 22% 193 m/z (149) 2.3% 0.0190% 4727 1.2 72 18523 842515 759932 2-4 4: 193 194 175 52 0.573 31.80 -0.2 69 82 51 86 208 13.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9201 1659.7 8.2 scans 41% 83 m/z (220) 1.3% 0.0436% 4748 1.0 120 32040 1926126 1824943 4-1 9: 83 82 55 87 125 111 112 126 210 0.895 31.92 0.0 77 87 87 90 219 4.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0642 1665.8 6.4 scans 28% 221 m/z 0.87% 0.0285% 4773 1.2 111 49226 1260074 1148733 4-2 15: 221 147 207 295 222 341 355 223 267 326 208 297 342 265 249 0.837 32.08 -0.6 95 97 80 96 355 21.5 3.732 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2301 1672.8 8.3 scans 45% 57 m/z 0.82% 0.0416% 4802 1.0 134 52374 1839008 1728678 1-1 18: 57 43 85 149 105 183 41 77 42 55 100 70 211 182 69 184 72 141 0.801 32.24 -0.3 85 91 79 90 226 6.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4385 1681.5 8.6 scans 60% 57 m/z (119) 0.72% 0.0787% 4837 1.0 156 59320 3474592 3186271 1-2 17: 57 85 71 43 56 41 197 196 55 99 127 96 97 70 42 141 169 0.943 32.44 -0.2 86 90 92 90 226 5.1 0.106 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6770 1691.6 8.7 scans 79% 205 m/z (171) 0.83% 0.226% 4877 1.0 266 51753 10005055 9458144 2-2 20: 205 119 91 105 43 93 159 107 162 79 147 41 77 187 131 121 106 67 146 145 0.977 32.67 0.1 94 95 93 98 220 16.8 0.399 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8641 1699.4 7.5 scans 23% 70 m/z (149) 1.2% 0.0318% 4909 1.2 102 35132 1407248 1272449 2-5 2: 70 201 0.801 32.87 -0.1 71 83 79 82 186 2.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.7 scans 51% 71 m/z (177) 0.21% 0.0854% 4920 0.7 167 204643 3772129 3348932 3-3 9: 71 43 159 243 111 72 155 173 89 0.935 32.93 -0.1 93 95 89 99 243 26.6 2.548 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1212 ? Hexadecene 33.0801 1708.5 7.1 scans 34% 83 m/z (139) 3.7% 0.0233% 4946 1.3 96 11636 1031911 956747 1-1 19: 83 55 97 69 57 56 70 43 41 84 82 151 125 110 98 68 67 71 85 0.828 33.09 -0.2 74 78 87 95 224 4.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.6 scans 62% 57 m/z 0.37% 0.0945% 4984 0.6 186 114171 4173760 3921892 3-8 19: 57 71 43 85 41 55 99 56 70 226 113 112 42 140 84 155 98 72 58 0.912 33.37 -2.7 88 92 86 90 226 22.5 1.464 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8877 1728.2 >10 scans 34% TIC 2.0% 0.00957% 5082 0.9 87 20948 0.0343% 422555 383312 1513944 0-2 0.739 33.90 -0.1 87 95 83 93 197 16.3 3.531 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2691 1733.6 7.5 scans 23% 57 m/z (173) 1.7% 0.0194% 5147 1.1 83 25103 859642 785855 1-1 9: 57 71 85 211 183 98 182 169 162 0.784 34.27 0.0 84 94 77 92 211 16.6 4.002 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3612 1734.9 8.6 scans 92% 355 m/z 0.029% 1.81% 5162 0.9 778 1481883 80010858 74376143 2-2 20: 355 73 221 147 281 356 401 357 282 402 222 415 327 74 267 283 207 148 385 223 0.983 34.39 451.9 81 100 98 100 415 93.7 1.449 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8647 1742.1 18.5 scans 92% 91 m/z 0.019% 2.90% 5248 0.2 730 2177614 128310515 125606333 0-1 20: 91 155 199 90 65 184 120 89 44 137 63 106 77 39 64 51 107 134 154 78 0.996 34.79 453.1 80 99 98 99 199 208.7 8.176 0.079 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9043 1742.7 7.8 scans 27% 68 m/z (57) 1.6% 0.0382% 5254 1.1 115 26665 1689302 1624752 3-1 1: 68 0.935 34.90 0.0 71 73 71 83 224 16.1 1.969 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1042 ? Phytol 35.3476 1749.0 8.0 scans 74% 57 m/z (205) 0.41% 0.217% 5329 0.9 267 104375 9591437 8654520 7-1 20: 57 71 43 69 55 85 56 95 41 126 81 70 111 83 82 96 67 97 109 84 0.965 35.35 451.6 77 98 98 100 196 26.7 0.998 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6935 1754.0 8.6 scans 33% 123 m/z (183) 1.4% 0.0384% 5388 1.1 107 30415 1697309 1523913 6-3 13: 123 193 195 209 124 105 147 167 131 165 210 166 179 0.880 35.70 451.3 67 91 78 91 224 12.3 1.302 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5041 1765.6 7.0 scans 13% 221 m/z (91) 0.46% 0.0803% 5525 1.0 177 93115 3547834 3368598 1-3 18: 221 73 147 295 281 369 341 296 223 297 355 148 74 370 325 327 267 209 0.839 36.58 449.1 70 97 86 96 369 28.7 2.630 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2001 1775.5 8.3 scans 19% 224 m/z (57) 1.8% 0.0152% 5643 0.9 71 23085 674655 614109 2-3 12: 224 209 181 165 105 166 129 103 225 182 194 167 0.718 37.20 449.2 71 97 77 97 224 23.6 11.123 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0537 1787.8 7.7 scans 56% 57 m/z (193) 0.84% 0.0583% 5788 1.0 140 51088 2576628 2333345 2-2 19: 57 71 85 43 56 225 41 99 55 224 113 70 98 127 155 226 72 169 183 0.893 38.06 448.1 72 97 93 98 225 25.5 3.315 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5584 1795.0 9.1 scans 95% 73 m/z 0.020% 2.76% 5873 1.1 914 2110801 121920345 115221701 2-3 20: 73 147 221 355 281 341 207 431 356 401 222 357 74 148 342 295 282 223 459 283 0.993 38.59 446.9 80 99 98 100 429 269.6 8.702 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN HCMIX_~1-N1016 Octadecane 38.8111 1798.6 10.6 scans 60% 169 m/z (127) 0.80% 0.0674% 5917 1.0 134 53730 2976950 2919112 0-1 20: 169 99 254 55 126 111 155 240 225 42 84 141 69 72 183 58 54 100 212 156 0.933 38.91 -1.4 84 92 90 90 254 11.5 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4410 1865.8 7.9 scans 50% 74 m/z (175) 1.0% 0.0382% 6023 1.2 115 39858 1687877 1618816 1-4 12: 74 87 143 213 75 228 225 59 129 101 185 60 0.918 39.45 504.3 68 93 86 97 256 16.0 1.923 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1018 ? Neophytadiene 39.7544 1904.7 7.4 scans 82% 68 m/z 0.43% 0.193% 6076 1.1 281 99838 8521132 8176878 1-1 20: 68 95 82 123 57 69 43 55 81 67 83 41 71 97 96 109 124 111 79 85 0.955 39.94 535.6 77 97 94 97 278 15.2 0.290 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8837 1920.7 7.7 scans 67% 43 m/z 0.63% 0.0905% 6098 1.0 191 68543 3996789 3628581 2-5 20: 43 58 71 59 55 57 85 109 95 41 69 110 83 124 70 56 123 81 82 96 0.921 39.88 552.4 76 97 92 96 250 20.2 1.121 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.1913 1958.9 8.0 scans 38% 119 m/z (113) 2.7% 0.0236% 6149 1.2 89 15690 1044048 974748 9-1 17: 119 159 161 105 91 160 120 132 92 162 93 145 115 146 81 272 130 0.827 40.24 585.0 71 97 81 96 272 10.4 1.348 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.1913 1958.9 8.0 scans 21% 119 m/z 3.0% 0.0110% 6149 1.2 68 14376 488729 456290 9-1 17: 119 159 161 105 91 160 120 132 92 162 93 145 115 146 81 272 130 0.552 39.14 602.2 68 91 50 88 272 10.5 0.000 1.050 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3028 1972.7 7.9 scans 62% TIC 0.17% 0.0463% 6169 1.0 166 243463 2046675 2003204 1-0 0.958 40.31 597.8 78 99 95 98 223 35.1 4.469 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1110 Phytol 40.3873 1983.2 7.7 scans 87% 81 m/z 0.18% 0.482% 6183 1.0 420 228309 21299621 19997958 9-5 20: 81 82 95 68 123 57 43 69 79 83 67 55 41 96 71 124 109 97 110 111 0.979 40.66 -34.0 94 97 96 97 278 46.9 1.245 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6004 2009.6 7.2 scans 61% 221 m/z 0.57% 0.0635% 6220 1.1 160 75154 2806613 2642915 2-2 20: 221 73 147 295 207 281 222 369 223 296 282 148 355 370 208 297 74 341 267 339 0.893 40.63 629.5 75 96 89 99 369 27.1 2.887 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1254 Phytol 40.8471 2040.2 7.9 scans 74% 82 m/z (119) 0.52% 0.179% 6261 1.3 239 82369 7907781 7412591 1-4 15: 82 95 81 123 68 43 79 67 71 96 41 109 278 124 110 0.963 40.87 -2.5 94 98 94 97 278 33.4 1.955 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BQLD_R~1-N1056 ?? Homosalate 40.9941 2058.4 8.3 scans 23% 138 m/z (195) 4.0% 0.0136% 6286 0.7 67 10683 603235 544428 2-1 7: 138 120 149 140 92 139 104 0.810 41.00 672.6 69 93 84 98 262 8.4 1.570 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2521 2090.4 8.5 scans 89% 79 m/z 0.058% 1.28% 6330 0.8 654 735318 56818689 53981295 1-9 20: 79 67 93 95 80 91 55 108 121 81 41 77 94 107 135 87 59 78 105 122 0.959 41.26 -0.6 98 99 93 99 264 48.6 0.554 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4593 2116.1 8.1 scans 80% 205 m/z 0.20% 0.479% 6365 0.6 413 213936 21180464 19166778 3-2 20: 205 57 217 175 189 177 232 41 91 261 203 192 161 109 135 115 105 163 67 219 0.913 41.49 -80.5 85 100 92 99 276 28.2 0.467 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5573 2123.2 9.1 scans 50% TIC 0.93% 0.0454% 6381 1.2 152 46276 0.0691% 2004414 1862024 3049957 1-0 0.840 41.76 725.5 76 97 78 97 272 43.2 8.145 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1008 ? UNK diterpene 41.87min 41.7391 2133.4 7.7 scans 18% 189 m/z (292) 7.5% 0.00952% 6412 0.7 58 5739 420244 377770 1-1 12: 189 191 147 187 121 190 133 160 257 272 148 129 0.750 41.87 734.0 70 96 67 94 272 15.8 7.529 -0.131 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0219 2149.3 8.8 scans 94% 74 m/z 0.015% 2.92% 6460 0.6 974 2797225 129205035 122598840 2-2 20: 74 143 43 55 227 270 41 239 129 59 185 97 101 199 241 56 84 42 271 85 0.983 42.01 747.3 80 99 98 99 272 26.6 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3241 2166.2 8.9 scans 89% 73 m/z 0.072% 0.687% 6511 1.1 466 595708 30366547 28383422 2-3 20: 73 147 281 221 429 355 503 341 207 282 222 283 74 504 415 295 505 431 461 342 0.980 42.37 757.2 75 92 95 99 503 76.9 2.720 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1559 2212.9 8.4 scans 31% 187 m/z (83) 4.5% 0.0200% 6652 0.9 79 9525 887059 794764 5-1 9: 187 134 161 119 72 59 188 142 189 0.745 43.24 -4.5 81 92 58 92 272 15.9 4.057 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3153 2221.9 >22 scans 7.4% 263 m/z (135) 4.3% 0.00900% 6679 1.9 40 9907 397484 390037 0-1 10: 263 278 264 236 101 45 124 183 161 85 0.334 43.31 0.5 74 87 21 81 278 13.7 11.709 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2952 2277.4 7.2 scans 58% 221 m/z (82) 1.0% 0.0386% 6845 1.1 121 40642 1707667 1606764 2-2 19: 221 73 147 295 281 222 207 369 296 297 282 355 148 356 371 223 429 209 74 0.876 44.32 830.1 73 94 94 99 369 21.8 3.217 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9676 2316.1 9.1 scans 56% TIC 2.4% 0.0581% 6959 0.9 140 17939 0.0639% 2566286 2295211 2820438 4-0 0.758 44.99 855.7 74 97 80 97 270 22.6 2.598 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1234 ? Thunbergol 45.2221 2330.7 8.5 scans 53% 107 m/z (257) 1.6% 0.0663% 7002 1.2 131 25515 2928267 2549004 3-3 12: 107 43 71 79 97 93 135 133 163 108 147 124 0.800 44.90 18.5 74 81 69 78 272 0.0 0.000 0.321 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4464 2343.6 7.9 scans 61% 81 m/z (105) 1.7% 0.0500% 7040 1.3 130 24973 2210517 2096849 1-1 19: 81 43 79 71 41 107 95 69 55 93 68 135 53 139 149 97 65 83 108 0.919 45.47 873.7 70 96 90 94 288 4.7 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7847 2363.1 7.9 scans 49% 73 m/z 0.39% 0.104% 7098 1.2 193 108670 4634377 4383993 2-2 20: 73 355 147 221 281 356 357 207 429 282 341 295 148 283 503 74 199 327 430 325 0.760 45.78 0.5 97 99 87 98 503 18.7 0.931 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1026 Methyl stearate 45.9287 2371.4 9.1 scans 88% TIC 0.038% 1.20% 7122 1.0 633 1129463 1.60% 53165161 50586620 70621291 2-0 0.994 45.92 892.7 80 99 99 99 298 105.2 2.756 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1228 ? C18:2-butanoate 45.9783 2374.2 >7 scans 73% TIC 0.19% 0.306% 7130 2.6 400 217620 1.31% 13519311 13026281 57821182 0-1 0.915 46.00 -1.4 75 79 67 78 294 44.5 1.236 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1182 2382.3 8.5 scans 86% TIC 0.055% 1.44% 7154 0.8 688 776226 63638443 58328490 2-3 0.934 46.13 -0.9 96 96 93 99 292 53.1 0.595 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4193 2399.6 12.0 scans 11% 175 m/z (71) 6.3% 0.00969% 7205 0.9 48 6797 427746 377181 1-2 9: 175 195 157 148 290 59 268 45 178 0.399 46.49 -4.4 64 81 22 74 290 6.3 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7611 2419.3 7.8 scans 86% 74 m/z 0.13% 0.288% 7263 1.0 324 310182 12723650 11969401 2-2 20: 74 87 43 55 75 143 298 41 255 57 69 199 83 129 59 267 101 88 71 299 0.962 46.76 924.2 79 99 97 99 298 59.2 3.350 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9299 2544.1 7.9 scans 73% TIC 0.62% 0.0624% 7630 1.3 152 69132 2754831 2485342 2-4 0.867 48.95 993.7 71 91 86 99 429 41.4 7.439 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3520 2625.9 7.8 scans 75% 74 m/z 0.50% 0.0812% 7871 1.1 171 85162 3587539 3386189 2-3 20: 74 87 43 75 143 326 55 57 69 283 41 97 83 59 129 130 71 101 241 88 0.861 50.36 1038.9 77 99 87 97 326 35.0 4.179 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8503 2712.1 8.7 scans 63% 73 m/z 1.0% 0.0428% 8125 1.1 115 41217 1891372 1765999 2-6 19: 73 147 429 355 281 356 221 430 431 207 222 295 357 148 504 74 325 282 505 0.802 51.86 1081.2 76 99 82 98 503 17.5 2.342 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0867 770.7 5.2 scans 79% 77 m/z (57) 0.057% 0.141% 34 2.9 279 890944 0.152% 8972830 7799590 9652623 3-6 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 64 48 0.976 4.37 16.7 99 100 100 100 77 237.2 72.178 -0.284 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5856 835.7 19.5 scans 61% 207 m/z 0.53% 0.0401% 457 2.8 97 95098 2547123 2282789 2-2 18: 207 209 177 191 208 163 192 161 119 105 147 133 178 176 179 149 135 194 0.770 6.53 -141.1 79 100 80 99 207 77.5 63.269 0.058 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6748 864.1 10.8 scans 40% TIC 0.58% 0.0763% 642 2.1 156 86601 4849848 4450243 2-2 0.439 7.71 8.8 90 97 46 91 98 81.3 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.4411 988.2 >5 scans 20% 265 m/z (69) 3.8% 0.00432% 1448 999.0 51 13194 274755 249221 0-7 8: 265 179 284 249 283 266 96 125 0.592 12.22 41.9 81 91 53 95 281 28.9 32.495 0.221 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6808 994.4 11.0 scans 67% 81 m/z 0.34% 0.0728% 1490 2.3 150 146934 4623069 4171950 2-2 17: 81 110 53 39 41 67 79 51 65 82 109 95 66 50 40 54 52 0.846 13.22 30.8 92 94 81 96 110 47.7 10.133 -0.541 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1022 ? Octanal 12.9364 1001.1 8.2 scans 55% 57 m/z 1.4% 0.0423% 1533 1.5 141 35998 2691362 2521822 3-5 19: 57 43 41 56 84 44 55 69 42 82 68 67 85 39 100 95 110 101 54 0.800 12.96 -173.7 75 97 76 95 110 16.2 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1024 ? p-Cymene 13.7392 1022.8 8.5 scans 27% 119 m/z (109) 3.5% 0.00404% 1669 1.1 40 14454 257066 227676 3-5 5: 119 134 120 117 93 0.782 13.76 -176.7 71 96 71 96 134 16.0 15.856 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1016 Limonene 13.9098 1027.5 8.4 scans 81% TIC 0.34% 0.146% 1698 1.3 249 146299 9331826 7993589 2-9 0.896 13.89 52.2 90 100 95 99 136 48.6 3.805 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0946 1032.5 11.0 scans 56% 108 m/z (82) 1.4% 0.0306% 1729 1.6 99 34858 1943325 1788231 1-1 19: 108 79 107 77 78 91 90 51 80 89 74 106 63 53 94 109 37 64 110 0.962 14.11 53.5 88 99 96 99 108 44.3 20.050 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4600 1042.4 10.4 scans 91% TIC 0.030% 0.665% 1791 1.3 468 1659116 42263300 36537414 4-5 0.992 14.44 57.6 91 100 99 100 120 152.4 10.596 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1850 1062.0 >12 scans 83% 105 m/z 0.11% 0.218% 1914 1.0 280 438372 13847306 13155070 2-0 19: 105 77 123 46 51 106 124 78 50 74 76 79 66 62 52 80 40 49 67 0.970 15.17 64.6 89 100 99 100 123 100.5 12.862 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN 98-86-2 ? Acetophenone 15.2770 1064.5 9.8 scans 80% 105 m/z 0.050% 0.444% 1930 1.1 427 1002720 0.507% 28205533 25200321 32196577 2-3 20: 105 77 120 51 106 43 50 78 74 121 76 63 75 39 65 91 52 62 38 89 0.992 15.29 -181.2 79 98 98 99 120 151.4 12.597 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4347 1068.8 9.6 scans 67% 95 m/z (99) 0.17% 0.194% 1956 1.8 259 282651 12358812 11699142 1-2 17: 95 81 124 79 43 53 109 91 39 65 82 96 67 66 125 63 54 0.904 15.43 67.1 85 98 97 98 124 76.5 8.727 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1028 ?? p-Cymenene 16.2151 1089.9 9.4 scans 24% 132 m/z (208) 4.8% 0.00581% 2088 1.5 50 10393 369432 332009 0-2 14: 132 117 115 116 131 118 91 99 92 78 89 65 64 96 0.864 16.25 -184.7 69 93 77 96 132 25.6 26.613 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1002 Undecane 16.6112 1101.0 8.4 scans 34% 57 m/z (127) 1.9% 0.0217% 2155 1.1 96 25411 1378801 1254772 2-1 20: 57 71 85 41 58 55 70 56 193 59 84 98 42 67 284 113 99 69 223 46 0.831 16.59 1.0 84 89 88 91 156 12.6 1.704 0.024 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1016 Nonanal 16.7895 1108.6 8.5 scans 89% 57 m/z 0.10% 0.594% 2186 1.1 504 491109 37748562 32936982 5-5 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 42 71 54 83 0.985 16.82 86.2 82 98 98 99 124 33.2 0.436 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9689 1116.1 9.2 scans 69% TIC 0.48% 0.0630% 2216 1.6 171 104983 0.0706% 4001442 3878166 4483389 1-0 0.906 16.97 91.4 79 97 92 98 128 43.1 6.353 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0569 1119.8 10.6 scans 33% 91 m/z (81) 1.5% 0.0174% 2231 1.7 74 32845 1109390 979879 9-2 9: 91 92 122 120 65 134 104 93 125 0.778 17.05 93.8 68 90 85 94 122 22.3 9.226 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0669 1162.5 9.3 scans 53% 73 m/z 0.51% 0.0644% 2402 1.7 157 98915 4091289 3560972 8-3 20: 73 355 267 356 268 357 269 339 251 205 74 193 358 249 75 323 191 179 253 203 0.933 18.13 -169.2 79 99 88 99 355 68.4 18.953 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN M4942-N1002 ?? Pyranone 18.1555 1166.3 14.3 scans 25% 144 m/z (73 82) 2.2% 0.0312% 2417 1.3 90 22814 1983123 1905495 3-1 4: 144 44 72 145 0.913 20.04 -224.2 69 94 87 94 144 36.5 16.482 -1.887 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7057 1189.5 9.0 scans 8.4% 98 m/z (127) 2.8% 0.0254% 2510 1.5 99 17967 1613044 1421990 1-1 16: 98 107 111 126 99 125 95 91 100 70 71 79 92 110 80 112 0.893 18.71 138.7 70 95 90 97 153 3.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8350 1195.0 >13 scans 25% TIC 0.88% 0.0364% 2532 0.9 200 57239 2317516 2065788 2-1 0.924 18.83 142.3 71 88 91 99 122 12.8 0.405 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1195 1207.0 9.2 scans 2.3% 81 m/z (44) 1.4% 0.0112% 2580 1.8 68 33902 714434 661151 5-0 1: 81 0.670 19.12 149.9 64 95 69 93 97 12.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1266 ? Octanoic acid 19.8179 1236.5 >22 scans 65% 60 m/z (74) 0.11% 1.33% 2699 0.1 506 431132 85049289 72301277 0-7 20: 60 85 69 41 55 73 97 101 87 43 115 88 39 42 98 82 83 108 70 67 0.762 22.03 -72.6 76 91 86 97 175 0.0 0.000 -2.216 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 19.8179 1236.5 >22 scans 64% 60 m/z 0.094% 1.15% 2699 0.1 501 540142 73243775 62265288 0-7 20: 60 85 69 41 55 73 97 101 87 43 115 88 39 42 98 82 83 108 70 67 0.955 19.87 168.2 79 98 93 98 144 0.0 0.000 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8409 1237.5 >6 scans 70% 45 m/z (60) 0.12% 0.169% 2703 3.2 311 394175 0.439% 10742250 10020572 27878299 0-3 20: 45 57 75 72 100 59 44 132 131 89 41 62 56 77 71 58 63 76 33 135 0.985 19.81 170.0 69 90 91 94 144 7.1 0.053 0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 19.9891 1243.7 6.9 scans 58% 105 m/z 0.46% 0.0418% 2728 0.5 153 109275 2658567 2459228 1-3 16: 105 122 77 51 50 74 78 76 123 106 52 94 65 75 38 104 0.872 20.03 173.0 75 95 90 95 122 76.9 25.143 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3202 1257.7 10.9 scans 26% 57 m/z (83) 3.4% 0.0108% 2783 1.5 59 14860 688252 601157 1-4 7: 57 71 85 72 142 127 113 0.895 20.32 0.0 85 92 81 89 170 8.1 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5369 1264.2 8.2 scans 91% 57 m/z 0.17% 0.433% 2820 0.9 450 286124 27532783 25606976 4-2 20: 57 41 43 55 82 70 71 68 56 44 83 69 67 81 112 95 96 42 84 110 0.989 16.82 -27.2 69 70 83 73 124 0.0 0.000 3.722 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9843 1277.6 14.3 scans 77% 65 m/z (94) 0.63% 0.198% 2896 1.0 234 79527 12593069 11859049 1-2 14: 65 105 77 139 95 63 40 74 151 59 62 150 125 87 0.954 21.00 192.3 64 88 80 87 155 0.0 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9843 1277.6 14.3 scans 43% 65 m/z (137) 0.29% 0.111% 2896 1.0 175 172108 7070804 6658663 1-2 14: 65 105 77 139 95 63 40 74 151 59 62 150 125 87 0.922 20.98 192.6 77 99 97 99 152 7.7 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1024 ?? Hexadecane 21.0888 1280.8 8.5 scans 18% 70 m/z (148) 6.4% 0.00531% 2913 2.0 46 7924 337734 337734 0-0 8: 70 57 85 99 133 113 144 140 0.694 33.32 13.8 68 79 71 78 226 0.0 0.000 -12.230 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.2736 1286.3 8.5 scans 19% 281 m/z (85) 3.0% 0.00864% 2945 2.1 56 16404 548670 482774 5-3 8: 281 283 282 193 265 207 251 267 0.518 12.25 133.2 68 94 41 93 281 32.2 33.093 9.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4306 1291.0 8.1 scans 6.0% 133 m/z 8.3% 0.00208% 2972 1.4 33 6059 132397 119531 0-2 14: 133 147 281 369 73 117 282 74 148 207 249 72 86 92 0.630 21.56 -147.7 71 96 67 94 369 9.6 8.259 -0.127 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1042 ?? Phytol 22.5068 1323.3 7.9 scans 56% 85 m/z (148) 1.1% 0.0531% 3154 1.2 152 42756 3378347 2954856 1-4 9: 85 57 43 71 70 84 56 99 155 0.850 35.35 25.9 62 67 72 76 196 0.0 0.000 -12.840 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9071 1335.3 9.2 scans 49% 69 m/z (71) 0.40% 0.0880% 3222 0.9 176 125311 5591969 5046496 3-3 6: 69 109 43 86 110 128 0.785 22.91 221.7 68 95 79 93 127 23.0 1.699 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.3480 1348.6 16.8 scans 67% 73 m/z 0.36% 0.179% 3297 0.2 226 137362 0.189% 11425223 10750968 12002274 0-9 20: 73 60 57 41 115 55 129 43 69 98 87 101 61 45 56 39 42 74 83 70 0.881 22.70 -126.7 75 96 87 98 158 16.0 0.500 0.652 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.3480 1348.6 16.8 scans 75% 73 m/z (147) 0.39% 0.230% 3297 0.2 240 129220 0.242% 14641441 13777381 15367992 0-9 20: 73 60 57 41 115 55 129 43 69 98 87 101 61 45 56 39 42 74 83 70 0.896 25.35 199.4 73 94 93 99 162 3.2 0.000 -2.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8345 1363.2 9.4 scans 44% 57 m/z (72 123) 1.3% 0.0295% 3379 1.1 100 37355 1873556 1746266 2-2 8: 57 71 85 70 184 113 154 120 0.843 23.86 -0.8 83 92 83 92 184 12.9 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0854 1371.5 7.2 scans 67% 73 m/z 0.19% 0.132% 3421 1.0 265 259138 8389419 7859552 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 432 251 45 82 193 191 267 0.870 24.17 -152.3 79 99 90 99 429 83.4 9.883 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5387 1386.6 7.7 scans 64% 71 m/z 0.67% 0.0411% 3499 1.1 150 75535 2613283 2386790 2-1 19: 71 57 85 43 84 127 70 113 41 99 55 126 155 56 72 42 86 58 141 0.897 24.54 249.3 78 100 90 98 169 17.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6834 1391.4 11.8 scans 56% 43 m/z (71) 0.97% 0.0637% 3523 0.9 137 51871 4050538 3597382 2-2 18: 43 83 142 82 55 58 56 113 85 39 108 67 127 44 107 53 81 109 0.945 24.70 251.8 66 87 84 96 170 5.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2206 1409.4 7.5 scans 49% 43 m/z 0.44% 0.0271% 3614 0.8 114 113997 1725363 1521454 5-4 10: 43 103 145 116 115 86 74 61 104 146 0.972 25.24 -150.5 78 98 95 98 145 42.1 13.651 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5381 1420.0 21.4 scans 95% 84 m/z 0.0075% 7.51% 3668 0.3 1250 6741148 477458657 462014866 0-2 20: 84 133 161 162 42 119 92 118 85 82 65 130 134 51 78 117 63 77 39 91 0.996 25.89 263.0 79 97 97 98 162 340.8 7.431 -0.354 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN GLAU_R~1-N1080 ?? Solanone 25.7891 1428.4 7.6 scans 42% 93 m/z (59) 1.5% 0.0242% 3710 1.0 109 33605 1538344 1407831 1-1 15: 93 43 121 136 70 123 91 94 194 79 108 99 77 155 125 0.899 25.78 273.1 69 93 86 97 194 14.4 1.754 0.012 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5146 1452.6 7.6 scans 13% 73 m/z 4.8% 0.00330% 3833 1.1 43 10366 210145 189775 1-2 16: 73 355 267 356 401 281 163 251 357 89 269 74 402 75 268 193 0.652 18.09 411.0 64 94 73 94 355 21.2 24.098 8.423 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0825 1471.6 6.7 scans 42% 221 m/z 1.2% 0.0196% 3929 1.2 106 40650 1244717 1163363 1-2 19: 221 73 147 281 222 223 355 267 148 282 356 74 339 251 269 207 249 189 191 0.813 27.12 296.7 76 97 80 96 355 21.6 4.158 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 7.9 scans 71% 57 m/z (163) 0.44% 0.0690% 3944 1.1 179 113250 0.117% 4386724 4040043 7429979 2-0 20: 57 71 85 43 41 56 99 55 70 42 84 98 69 112 126 127 113 86 39 141 0.991 27.21 -1.3 96 98 97 98 198 19.8 1.226 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN N407_R~1-N1114 ? Caryophyllene 27.8410 1499.6 8.8 scans 39% TIC 0.84% 0.0898% 4058 1.3 200 60204 5702780 5140123 2-2 0.476 27.84 314.2 70 94 57 94 204 15.8 0.626 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9686 1504.4 10.4 scans 77% 118 m/z (98) 0.25% 0.159% 4079 2.0 222 196571 10104583 9639000 1-2 17: 118 146 145 78 58 105 51 119 63 104 64 39 65 42 117 50 76 0.947 27.93 317.7 76 99 95 99 146 96.7 19.019 0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3859 1520.0 9.0 scans 79% TIC 0.11% 0.159% 4150 1.0 277 444366 0.179% 10150477 9313272 11367233 0-2 0.944 28.39 326.6 78 98 94 98 171 122.5 19.569 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6586 1530.3 8.0 scans 82% 43 m/z (166) 0.091% 0.383% 4196 0.9 412 554208 24369203 21944813 7-2 20: 43 69 41 151 136 107 67 125 93 109 83 53 121 81 39 68 108 79 91 77 0.992 28.67 332.9 78 99 99 100 194 26.6 0.417 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0902 1546.5 7.8 scans 74% 71 m/z 0.13% 0.243% 4269 1.0 371 380829 0.339% 15459250 14784193 21527889 1-0 20: 71 57 43 85 41 70 55 113 141 56 112 99 84 97 183 69 42 177 140 72 0.941 29.10 342.6 73 94 92 93 227 7.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5087 1562.3 7.1 scans 68% 73 m/z 0.15% 0.197% 4340 1.0 325 321785 12571551 12014946 2-2 20: 73 281 147 327 282 415 341 503 283 399 221 328 504 416 329 148 74 342 417 505 0.953 29.61 -150.8 79 99 93 99 503 57.1 3.089 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7620 1571.8 7.9 scans 58% 123 m/z 0.046% 0.246% 4383 1.0 349 1088079 15652083 14395101 1-4 18: 123 135 124 107 95 79 109 91 77 81 39 53 93 125 67 105 193 165 0.827 29.77 357.8 78 99 80 98 193 31.6 0.816 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9391 1578.4 8.7 scans 77% 71 m/z 0.084% 0.474% 4413 0.7 448 602894 30136357 27452843 1-3 20: 71 85 57 43 99 113 41 69 55 127 70 84 155 56 83 169 126 111 86 42 0.922 29.94 362.0 77 99 95 98 254 12.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1658 1587.0 8.3 scans 65% TIC 0.30% 0.0924% 4452 1.0 247 168531 0.145% 5870298 5870298 9208094 0-0 0.933 30.38 -7.9 81 83 89 84 212 0.0 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5040 1600.2 8.3 scans 85% TIC 0.029% 0.482% 4509 1.3 488 1719469 30621917 29128078 1-3 0.968 30.50 375.4 80 100 96 99 206 132.9 7.425 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN N406_R~1-N1098 ?? Olivetol 30.8246 1613.7 8.8 scans 23% 124 m/z (71) 1.7% 0.0175% 4563 1.0 87 29511 1117360 1030621 3-2 5: 124 137 180 138 168 0.898 30.81 384.3 63 87 68 91 180 23.2 7.201 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8765 1615.9 8.8 scans 43% 162 m/z 0.42% 0.0587% 4572 1.2 171 119569 3730923 3580741 1-2 19: 162 147 161 77 134 163 119 71 51 133 145 115 131 103 79 165 135 65 78 0.726 30.88 -0.1 88 92 58 91 204 21.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9415 1618.6 8.7 scans 7.9% 172 m/z (71) 4.2% 0.00528% 4583 1.1 46 12026 0.00611% 335543 317779 388010 3-0 3: 172 171 173 0.610 30.93 0.6 81 88 67 90 171 27.3 35.204 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2230 1630.5 12.6 scans 67% TIC 0.075% 0.584% 4631 0.8 436 674101 37123026 34172679 2-1 0.818 31.18 395.5 75 98 81 97 180 101.5 5.426 0.045 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5105 1642.5 10.5 scans 66% 43 m/z (113) 0.45% 0.106% 4680 1.2 194 111450 6735786 6060170 2-1 20: 43 85 71 98 57 111 55 166 127 99 41 151 191 84 82 107 69 68 126 70 0.954 31.52 -0.2 86 89 89 91 166 29.7 2.337 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7974 1654.6 8.8 scans 14% 193 m/z (154) 2.0% 0.00905% 4728 0.9 61 24629 575151 540023 5-2 2: 193 208 0.722 31.80 0.1 68 77 39 80 208 14.0 5.224 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9137 1659.5 7.8 scans 62% 71 m/z (109) 0.69% 0.0761% 4748 0.7 179 72577 4837429 4354508 3-1 19: 71 57 85 43 83 55 99 69 41 70 113 127 56 155 111 112 141 169 97 0.903 31.92 -0.2 78 84 88 89 219 7.7 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0519 1665.3 6.6 scans 38% 221 m/z (71) 0.55% 0.0441% 4771 1.0 158 91995 2804145 2720579 1-2 17: 221 73 147 295 222 207 296 325 281 208 148 267 342 356 74 326 297 0.897 32.08 -1.1 94 98 93 98 355 27.2 2.976 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2325 1672.9 9.3 scans 66% 57 m/z (204) 0.35% 0.140% 4802 1.5 213 143098 8916992 8153232 2-1 18: 57 43 71 85 41 99 183 56 55 113 149 182 70 42 69 141 105 97 0.936 32.24 -0.2 89 94 91 94 226 10.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4309 1681.2 12.1 scans 49% 85 m/z (126) 0.77% 0.0793% 4835 0.9 156 65397 5042059 4639591 1-1 18: 85 57 71 197 196 149 159 41 160 51 113 104 42 131 78 145 65 53 0.843 32.44 -0.5 86 97 86 95 226 4.5 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6817 1691.8 8.7 scans 76% 205 m/z (171) 1.0% 0.145% 4878 0.8 248 48088 9235656 8500006 1-2 20: 205 119 91 43 159 93 79 162 107 147 77 187 149 41 106 121 146 145 135 117 0.964 32.67 0.3 93 94 91 98 220 13.5 0.297 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8624 1699.3 7.8 scans 12% 70 m/z (149) 1.2% 0.0125% 4908 1.3 77 42302 0.0203% 795927 790852 1289133 3-0 2: 70 201 0.576 32.87 -0.2 61 76 49 73 186 3.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9350 1702.4 8.4 scans 83% TIC 0.030% 0.508% 4921 0.6 472 1676503 32281644 30713393 3-1 0.937 32.93 0.1 95 94 89 98 243 73.1 2.398 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0802 1708.5 7.4 scans 46% 83 m/z (103) 2.2% 0.0334% 4946 1.0 130 22439 2127227 2010830 1-1 19: 83 97 57 55 70 69 41 56 84 82 151 98 110 68 67 224 196 42 54 0.902 33.09 -0.2 82 83 91 96 224 5.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 7.5 scans 70% 57 m/z (79) 0.29% 0.118% 4983 0.8 236 174573 7496545 7050347 3-1 20: 57 71 43 85 41 55 99 56 70 113 226 69 84 42 98 112 83 72 127 126 0.982 33.37 -2.9 96 98 98 99 226 27.4 1.356 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8890 1728.2 8.0 scans 53% TIC 0.75% 0.0309% 5082 0.9 154 67476 0.0530% 1968085 1899687 3365717 0-1 0.841 33.90 -0.1 91 97 87 95 197 31.0 4.048 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2662 1733.6 7.9 scans 20% 57 m/z (100) 2.9% 0.0105% 5146 1.0 73 17503 671946 628721 0-1 20: 57 85 211 71 41 43 113 98 106 212 159 182 107 68 72 183 83 169 187 58 0.734 34.27 -0.0 79 91 75 92 211 16.1 4.870 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3860 1735.3 12.5 scans 95% TIC 0.0098% 6.35% 5166 0.5 1442 5142258 403650515 389515841 2-1 0.996 34.39 452.3 80 100 99 100 415 176.0 1.492 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8335 1741.7 16.8 scans 89% 91 m/z 0.027% 1.67% 5242 0.3 652 1864338 106666343 103116366 1-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 39 77 64 51 200 156 134 0.982 34.79 452.7 80 99 97 99 199 185.0 8.056 0.048 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9038 1742.7 7.9 scans 23% 68 m/z (71) 1.6% 0.0298% 5254 1.2 116 30856 1893626 1731507 3-3 2: 68 224 0.831 34.90 -0.0 80 88 84 91 224 16.2 1.963 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6865 1753.9 8.5 scans 43% 123 m/z (57) 0.31% 0.0955% 5387 1.1 203 159869 6067300 5766371 2-2 10: 123 124 79 121 194 149 115 152 103 151 0.838 35.70 451.2 72 96 81 97 224 30.4 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9380 1757.5 9.0 scans 50% 91 m/z (72) 0.26% 0.156% 5429 1.0 247 190679 9932239 9062819 2-4 16: 91 155 184 65 199 92 44 148 89 63 133 131 156 120 107 185 0.791 35.94 451.1 68 93 69 93 238 6.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4852 1765.3 6.8 scans 10% 221 m/z (91) 0.87% 0.0366% 5522 1.0 141 58101 2325924 2178147 2-3 15: 221 73 147 295 281 369 341 296 148 297 429 327 370 342 282 0.873 36.58 448.8 71 96 86 97 369 22.8 2.596 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1996 1775.5 8.4 scans 40% 209 m/z 0.28% 0.0846% 5643 1.0 199 179992 5378564 5007725 2-2 19: 209 224 181 210 165 167 178 105 166 179 103 225 194 77 193 115 152 119 182 0.898 37.20 449.2 78 98 87 98 224 64.9 10.597 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1016 Octadecane 37.2987 1777.0 8.9 scans 65% 71 m/z (215) 0.35% 0.164% 5660 1.0 249 142243 0.232% 10477854 9564258 14732951 0-4 20: 71 85 57 43 99 113 41 127 55 69 84 70 126 169 155 56 141 111 72 86 0.973 38.91 -23.0 80 84 94 84 254 4.0 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.7 scans 61% 57 m/z (73) 0.42% 0.103% 5788 1.1 208 118431 6586447 6179106 2-1 20: 57 71 85 43 56 225 41 99 55 113 224 69 87 127 196 70 86 83 74 98 0.950 38.06 448.1 76 99 98 99 225 35.6 2.931 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5862 1795.4 15.8 scans 84% TIC 0.013% 5.35% 5878 0.4 1319 3731883 6.60% 339808785 319370409 419127044 2-0 0.998 38.59 447.3 80 99 97 99 429 399.7 9.191 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3489 1854.4 9.6 scans 19% 71 m/z (151) 2.9% 0.0139% 6007 1.4 75 17040 887208 887208 0-0 17: 71 155 57 85 70 99 41 224 169 239 127 55 225 56 113 111 168 0.830 36.21 3.5 62 72 77 74 240 2.2 0.000 3.138 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4428 1866.1 8.0 scans 38% 74 m/z (151) 1.3% 0.0356% 6023 1.1 126 37508 2261697 2049928 4-2 17: 74 87 102 228 91 60 59 213 185 129 75 211 73 61 199 101 115 0.861 39.45 504.6 68 94 90 97 256 14.6 1.341 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.7929 1909.5 9.2 scans 94% 68 m/z 0.036% 2.54% 6082 0.5 1048 1397636 161379844 155980865 2-1 20: 68 95 82 123 69 57 81 55 83 43 67 41 97 71 96 109 124 111 79 56 0.997 39.94 540.4 80 99 100 99 278 58.2 0.308 -0.143 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8909 1921.6 7.5 scans 68% 58 m/z 0.28% 0.162% 6099 1.1 305 180247 10320542 9413080 1-4 14: 58 43 71 59 109 55 95 41 69 110 124 123 81 250 0.944 39.88 553.3 78 98 95 97 250 32.6 1.147 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3100 1973.6 8.0 scans 62% 149 m/z 0.074% 0.146% 6170 0.9 271 679155 9307599 8658000 2-2 17: 149 150 223 104 76 167 56 205 65 93 121 132 105 50 122 39 77 0.946 40.31 598.7 77 98 95 98 223 57.1 4.444 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5945 2008.8 7.3 scans 21% 222 m/z (207) 2.4% 0.0126% 6219 1.2 79 20730 803079 705772 3-3 16: 222 370 369 355 297 282 223 148 283 279 208 267 74 415 357 327 0.783 40.63 628.7 70 98 85 97 369 14.1 3.191 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1254 Phytol 40.8431 2039.7 7.8 scans 60% 82 m/z (241) 1.0% 0.0907% 6260 1.4 203 46416 5765047 5348954 2-4 12: 82 95 81 68 123 79 96 67 109 124 137 53 0.967 40.87 -3.0 89 92 94 95 278 23.8 1.375 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9901 2057.9 8.3 scans 32% 120 m/z 1.0% 0.0319% 6286 1.1 133 49199 2030000 1866729 1-1 14: 120 109 69 121 138 124 262 92 139 65 82 93 66 39 0.837 41.00 672.1 77 100 87 99 262 18.3 1.879 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2374 2088.6 8.2 scans 70% 79 m/z (191) 0.46% 0.151% 6327 0.9 263 109051 9640967 9281465 1-1 19: 79 67 93 95 80 91 108 55 121 81 41 94 107 135 59 87 78 122 77 0.974 41.26 -2.4 95 97 97 99 264 17.6 0.449 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4381 2113.4 8.3 scans 62% 205 m/z 0.43% 0.182% 6361 0.8 297 117909 11579450 10777726 2-2 18: 205 217 175 189 220 177 55 232 91 261 203 191 192 206 219 77 161 105 0.862 41.49 -83.2 83 99 86 98 276 20.5 0.477 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8330 2138.6 8.6 scans 47% 57 m/z (224) 1.2% 0.0464% 6428 0.9 146 39929 2951017 2951017 0-0 20: 57 71 85 43 84 55 99 70 69 83 97 41 113 155 127 253 56 98 126 179 0.943 41.48 19.6 69 73 88 78 268 2.0 0.000 0.350 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0119 2148.7 8.8 scans 90% 74 m/z 0.023% 1.48% 6458 0.7 812 2122669 94216348 88243503 3-2 20: 74 87 143 43 55 75 227 41 270 69 57 239 83 129 59 185 97 101 88 171 0.976 42.01 746.7 80 100 98 99 272 20.8 0.066 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3000 2164.9 9.8 scans 93% 73 m/z 0.032% 1.53% 6507 1.2 775 1571885 97657116 92643779 2-3 20: 73 147 281 221 355 429 503 341 282 283 430 504 148 431 357 461 342 267 325 343 0.989 42.37 755.9 74 90 93 98 503 131.1 2.862 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.3596 2168.2 9.2 scans 5.0% 91 m/z (73) 7.3% 0.0153% 6517 1.5 68 6914 974603 713901 12-4 16: 91 161 93 229 162 182 81 77 257 160 110 79 107 53 106 92 0.594 42.40 -2.2 65 83 50 78 272 5.6 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.3136 2221.8 >7 scans 6.0% TIC 16% 0.000952% 6679 1.6 32 3020 0.00127% 60474 60474 80650 0-0 0.299 43.31 0.4 66 84 20 77 278 9.3 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8431 2251.5 8.5 scans 49% 71 m/z (210) 1.2% 0.0412% 6769 1.3 129 41801 2619140 2398662 1-5 15: 71 85 55 99 126 41 239 69 70 84 155 266 182 183 86 0.851 43.94 -5.2 68 81 87 79 282 5.0 0.000 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2959 2277.4 6.7 scans 17% 221 m/z (149 155) 6.1% 0.00465% 6845 1.0 48 8282 295604 246598 1-12 7: 221 295 207 222 296 371 369 0.759 44.32 830.1 67 97 86 97 369 9.0 3.561 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1234 ? Thunbergol 45.1554 2326.9 21.5 scans 20% TIC 6.3% 0.00563% 6991 1.2 63 7944 0.0104% 357885 331977 660443 2-0 0.406 44.90 14.7 73 81 31 76 272 6.8 0.000 0.254 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7824 2362.9 9.1 scans 68% TIC 0.34% 0.101% 7097 1.3 214 145777 6457598 5786349 3-2 0.884 45.78 0.3 98 98 88 98 503 20.5 0.921 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9376 2371.9 8.8 scans 92% 74 m/z 0.019% 2.13% 7123 0.6 972 2660065 135301844 127718858 2-3 20: 74 87 43 143 255 75 55 298 69 57 41 199 83 97 101 71 185 111 85 42 0.975 45.92 893.2 78 97 97 99 298 164.9 2.877 0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1041 2381.5 7.9 scans 77% 79 m/z (110) 0.29% 0.209% 7152 1.1 309 171071 13312356 12277811 2-5 17: 79 67 95 93 80 108 81 91 94 107 77 121 135 78 122 149 109 0.974 46.13 -1.7 94 97 96 98 292 22.7 0.542 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1022 Henicosane 46.1808 2385.9 >9 scans 66% TIC 0.55% 0.0482% 7164 1.4 173 90696 0.212% 3066140 3066140 13462869 0-0 0.954 46.28 -5.8 95 96 88 95 296 14.7 0.725 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7588 2419.1 8.0 scans 86% 74 m/z 0.10% 0.303% 7262 1.1 386 463363 19259043 17658325 2-3 20: 74 87 43 143 75 55 298 41 255 57 69 199 83 97 59 88 101 129 267 71 0.967 46.76 924.0 79 99 98 99 298 68.9 3.179 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5020 2461.9 7.7 scans 41% 138 m/z (111) 3.1% 0.0109% 7388 1.0 72 16330 693960 649258 2-3 7: 138 120 121 139 168 65 92 0.795 47.50 949.1 73 99 83 97 168 9.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9347 2544.4 7.5 scans 51% 73 m/z 2.1% 0.0116% 7630 1.2 77 23101 741846 704823 2-2 20: 73 147 221 429 355 281 356 222 430 207 341 431 357 148 295 296 401 415 342 327 0.759 48.95 994.0 71 98 75 97 429 23.5 9.298 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3521 2625.9 8.0 scans 88% TIC 0.21% 0.172% 7871 1.0 288 232402 10979985 10255210 2-5 0.945 50.36 1038.9 79 100 96 99 326 54.0 3.510 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN HCMIX_~1-N1026 Tricosane 50.5770 2638.9 8.2 scans 50% 57 m/z 2.4% 0.0106% 7909 1.1 75 20802 676515 639164 2-4 18: 57 71 85 43 99 55 41 84 127 70 113 56 69 197 140 83 141 97 0.751 50.69 -6.3 82 86 67 82 324 6.3 0.000 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8521 2712.2 8.1 scans 45% 73 m/z 3.3% 0.00746% 8125 1.0 60 14938 473812 415389 4-6 20: 73 147 355 281 429 221 327 283 356 357 148 222 282 207 431 267 504 369 149 503 0.697 51.86 1081.3 72 95 67 92 503 10.2 2.954 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1276 771.7 4.9 scans 92% 77 m/z (73) 0.036% 0.207% 41 2.7 327 1233746 11749082 10051456 1-8 16: 77 45 78 79 62 76 59 75 63 47 61 46 92 58 64 133 0.995 4.37 17.7 99 100 100 100 77 278.2 72.351 -0.243 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5798 835.6 20.8 scans 69% 207 m/z 0.48% 0.0470% 456 3.2 98 94887 2663817 2528313 1-1 20: 207 208 209 191 147 163 133 192 165 103 177 134 89 119 210 193 176 178 149 88 0.804 6.53 -141.2 80 100 82 99 207 77.1 61.865 0.052 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6802 864.2 9.9 scans 55% 41 m/z 0.97% 0.0622% 642 1.9 138 46893 3519737 3160358 2-2 19: 41 69 55 39 83 42 57 43 54 51 56 80 70 38 79 68 71 37 40 0.637 7.71 8.9 96 97 82 96 98 59.3 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKSTART-N1002 ? Contamination 12.22min 12.4294 987.9 8.4 scans 25% 81 m/z (112) 2.8% 0.00768% 1447 1.5 52 16222 434751 379140 2-2 11: 81 82 138 53 134 94 251 177 83 205 250 0.696 12.22 41.6 75 82 25 96 281 23.7 20.497 0.209 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6897 994.6 10.2 scans 66% 81 m/z 0.45% 0.0488% 1491 2.0 120 100113 2763608 2592163 1-3 20: 81 110 53 39 79 82 41 67 68 77 65 95 66 54 63 50 40 111 109 52 0.817 13.22 31.0 93 96 79 98 110 39.6 10.807 -0.532 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1022 ? Octanal 12.9424 1001.3 8.2 scans 65% 84 m/z (71) 2.3% 0.0370% 1534 1.4 116 19798 2095667 1863504 2-4 17: 84 57 41 56 43 44 55 69 68 82 42 67 85 100 81 110 95 0.898 12.96 -173.5 75 98 96 99 110 13.2 1.290 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1016 Limonene 13.9158 1027.6 8.2 scans 78% 68 m/z 0.40% 0.120% 1699 1.3 214 112791 6791496 6046173 2-7 20: 68 93 67 79 94 121 136 92 107 91 53 77 39 80 41 124 81 95 123 51 0.875 13.89 52.3 90 100 93 99 136 43.2 4.083 0.024 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1018 1032.7 10.1 scans 54% 108 m/z (109) 1.8% 0.0218% 1730 1.7 82 24131 1234200 1163444 1-2 13: 108 79 107 77 51 90 80 50 74 78 91 89 52 0.945 14.11 53.7 87 98 93 97 108 38.2 21.811 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4625 1042.4 9.5 scans 88% 91 m/z 0.039% 0.470% 1791 1.3 388 1158596 26641780 24258473 2-4 19: 91 92 120 65 63 39 89 51 50 62 90 121 93 66 38 74 52 61 77 0.988 14.44 57.6 91 100 100 100 120 127.6 10.818 0.020 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1862 1062.0 >12 scans 86% 105 m/z 0.088% 0.287% 1914 1.1 302 514508 16258478 14598192 2-1 20: 105 77 123 51 46 106 50 124 78 74 76 79 75 52 38 63 61 92 62 73 0.973 15.17 64.6 89 100 99 100 123 109.6 13.137 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN 98-86-2 ? Acetophenone 15.2771 1064.5 10.7 scans 81% TIC 0.083% 0.266% 1929 1.1 308 546322 0.456% 15101919 14004274 25799953 0-3 0.976 15.29 -181.2 79 98 96 99 120 107.3 12.118 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4383 1068.9 9.1 scans 71% 95 m/z (99) 0.23% 0.146% 1957 1.4 219 197988 0.153% 8276170 7446232 8656563 1-5 20: 95 81 124 79 43 109 53 39 41 82 65 96 67 66 55 51 63 125 80 50 0.907 15.43 67.2 85 98 97 100 124 64.2 8.582 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1028 ?? p-Cymenene 16.2199 1090.1 8.1 scans 23% 132 m/z (133) 6.6% 0.00357% 2089 1.2 39 6834 202405 196645 1-1 7: 132 117 115 131 116 65 89 0.856 16.25 -184.5 69 95 79 95 132 20.7 28.134 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1016 Nonanal 16.7872 1108.5 8.3 scans 89% TIC 0.16% 0.383% 2185 0.9 374 274465 21670517 18266828 6-5 0.975 16.82 86.1 82 98 97 98 124 24.2 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9696 1116.2 8.5 scans 60% 71 m/z 0.62% 0.0463% 2216 1.3 139 73227 2620637 2315315 1-6 16: 71 95 110 58 43 128 41 85 55 84 57 69 72 70 111 113 0.886 16.97 91.5 79 98 89 97 128 36.0 6.755 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0593 1120.0 10.3 scans 25% 91 m/z (105) 2.1% 0.0105% 2231 1.6 54 21674 595597 514917 3-3 4: 91 92 122 116 0.835 17.05 94.0 70 94 84 95 122 18.3 11.552 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0747 1162.8 >9 scans 54% TIC 0.45% 0.0504% 2403 0.5 146 99718 2855183 2596283 2-0 0.951 18.13 -168.9 79 99 93 99 355 59.6 16.699 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN M4942-N1002 ? Pyranone 18.1668 1166.7 17.4 scans 37% 43 m/z 0.69% 0.0749% 2419 1.3 132 65167 4243355 3580673 4-4 12: 43 44 101 144 55 45 116 47 42 65 113 67 0.939 20.04 -223.8 72 92 82 92 144 61.3 21.531 -1.875 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7105 1189.7 >10 scans 8.1% 98 m/z (108) 2.8% 0.0254% 2512 0.8 98 15756 1441143 1441143 0-0 18: 98 111 107 125 93 91 95 69 96 70 79 100 43 80 81 112 71 58 0.840 18.71 138.9 69 95 89 97 153 4.2 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8380 1195.1 >12 scans 21% TIC 0.91% 0.0320% 2533 0.7 180 49997 1813847 1630550 2-1 0.900 18.83 142.4 73 94 93 99 122 11.6 0.413 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.2554 1212.7 10.7 scans 0.48% 119 m/z (97) 6.4% 0.00306% 2604 1.0 32 7094 173306 162958 4-1 4: 119 134 91 120 0.624 13.76 13.2 70 84 60 82 134 13.4 17.454 5.498 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8622 1238.4 >3 scans 18% 45 m/z 0.17% 0.0639% 2706 0.3 248 266569 0.352% 3619611 3619611 19915753 0-0 18: 45 85 57 41 73 97 83 87 101 115 43 108 88 39 59 56 42 89 0.777 19.81 170.9 68 92 85 95 144 2.9 0.000 0.048 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1266 Octanoic acid 19.8829 1239.2 >5 scans 88% 60 m/z 0.082% 0.433% 2710 0.4 556 551172 1.45% 24508085 22423816 82039325 0-6 20: 60 69 85 55 73 97 41 101 87 115 88 43 57 83 39 82 108 42 98 56 0.996 22.03 -69.9 81 89 92 99 175 0.0 0.000 -2.151 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 20.0789 1247.5 9.6 scans 81% 105 m/z 0.22% 0.125% 2743 0.2 210 200417 7100896 6632555 1-7 16: 105 122 77 51 50 74 123 106 78 76 52 75 38 66 37 49 0.977 20.03 176.8 75 95 93 95 122 105.0 24.903 0.050 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3268 1257.9 11.6 scans 17% 57 m/z (107) 4.9% 0.00620% 2785 0.9 41 9118 350795 331467 1-1 4: 57 71 99 170 0.757 20.32 0.2 84 94 70 90 170 6.0 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1034 ? Decanal 20.5376 1264.2 8.1 scans 87% 57 m/z (110) 0.26% 0.295% 2820 0.9 339 172257 16698343 15318550 4-3 20: 57 41 55 43 82 70 71 68 83 56 44 67 112 81 69 96 95 84 42 39 0.987 20.57 -142.8 73 93 95 99 138 18.6 0.300 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5376 1264.2 8.1 scans 89% 57 m/z (85) 0.27% 0.302% 2820 0.9 344 165769 17127418 15712171 4-3 20: 57 41 55 43 82 70 71 68 83 56 44 67 112 81 69 96 95 84 42 39 0.997 16.82 -27.2 68 71 85 74 124 2.3 0.000 3.723 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9715 1277.3 11.5 scans 54% 94 m/z (137) 0.29% 0.0879% 2894 1.6 157 156249 4977001 4605567 2-3 9: 94 138 66 45 139 64 37 129 75 0.956 20.98 192.3 77 98 96 100 152 5.9 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0069 1278.3 8.7 scans 59% 137 m/z (94) 0.59% 0.101% 2900 1.0 193 76771 5716779 5309236 2-3 18: 137 152 123 109 67 91 81 79 93 41 119 55 53 110 69 82 96 121 0.923 21.00 193.0 62 86 71 84 155 0.0 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3079 1287.3 9.2 scans 10% 281 m/z (43) 2.5% 0.00707% 2951 1.7 46 18013 400053 340306 7-3 13: 281 282 283 207 133 251 193 191 267 208 415 265 266 0.761 12.25 134.2 71 97 69 96 281 33.6 53.059 9.057 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.0470 1309.5 9.6 scans 74% 138 m/z (98) 1.1% 0.0729% 3076 1.2 158 41364 4127597 3847256 2-3 18: 138 95 67 109 123 41 83 43 39 65 69 55 70 66 124 63 53 56 0.962 17.80 -11.9 61 61 65 74 128 2.4 0.000 4.252 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9172 1335.6 9.0 scans 52% 69 m/z (85) 0.41% 0.0883% 3224 0.9 172 110544 4998824 4503532 3-5 10: 69 43 109 86 110 128 58 173 87 170 0.757 22.91 222.0 71 97 87 96 127 22.8 1.765 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.5784 1355.5 >20 scans 86% 73 m/z 0.13% 0.629% 3336 0.1 374 335421 0.664% 35636370 34046133 37568353 1-3 20: 73 60 57 41 129 115 55 43 87 69 98 61 39 45 42 70 83 74 56 101 0.969 25.35 206.3 77 95 94 99 162 0.0 0.000 -1.776 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.5784 1355.5 >20 scans 81% 73 m/z (96) 0.14% 0.642% 3336 0.1 363 321521 0.677% 36370992 34747973 38303878 1-3 20: 73 60 57 41 129 115 55 43 87 69 98 61 39 45 42 70 83 74 56 101 0.970 22.70 -119.8 72 92 92 97 158 22.5 0.383 0.882 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.6970 1359.0 7.1 scans 31% 71 m/z (134) 3.4% 0.00914% 3355 1.0 67 13361 517513 501165 0-1 15: 71 57 85 43 75 107 69 70 84 41 56 99 83 72 172 0.841 23.86 -5.0 74 81 84 81 184 0.0 0.000 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0866 1371.5 7.3 scans 65% 73 m/z 0.27% 0.101% 3422 1.0 217 166585 5737041 5277679 2-2 20: 73 341 429 342 325 147 343 430 431 326 82 74 344 207 327 432 251 191 311 267 0.894 24.17 -152.3 79 99 90 99 429 68.3 9.892 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5424 1386.7 7.4 scans 60% TIC 0.85% 0.0240% 3499 1.1 129 53396 1359666 1202541 1-1 0.919 24.54 249.4 78 98 91 98 169 14.2 1.203 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6846 1391.5 9.9 scans 57% 43 m/z (59) 0.84% 0.0622% 3523 1.2 135 53776 3520221 2994520 6-3 19: 43 69 83 41 55 58 111 39 113 56 68 67 142 72 81 109 95 82 85 0.941 24.70 251.9 71 92 90 98 170 5.1 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2384 1410.0 7.2 scans 48% 43 m/z 0.50% 0.0242% 3617 0.8 103 90644 1372278 1182264 10-3 11: 43 103 145 116 115 86 147 74 61 146 158 0.888 25.24 -149.9 77 100 94 99 145 39.5 14.646 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.5749 1421.2 21.5 scans 94% 84 m/z 0.0073% 7.61% 3674 0.3 1178 6216721 430877772 408175920 0-3 20: 84 133 162 161 119 118 130 82 65 117 78 51 134 39 163 77 55 104 105 159 0.997 25.89 264.2 78 97 96 98 162 320.3 7.393 -0.317 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7998 1428.7 7.5 scans 76% 93 m/z 0.16% 0.155% 3712 0.9 273 276968 8812341 8515935 1-1 20: 93 121 136 43 91 79 77 194 94 81 41 123 107 95 108 137 67 122 105 39 0.921 25.78 273.4 75 96 88 95 194 43.1 2.489 0.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0755 1471.3 >7 scans 40% TIC 2.2% 0.00747% 3928 999.0 85 20597 0.0163% 422938 422938 922235 0-0 0.923 27.12 296.4 77 97 94 97 355 15.8 3.432 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1681 1474.4 8.3 scans 66% TIC 0.60% 0.0326% 3944 1.4 141 75497 0.0786% 1846602 1695988 4447097 1-0 0.948 27.21 -1.4 96 97 91 96 198 18.1 1.631 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1032 ? Myosmine 28.0017 1505.6 11.9 scans 76% 118 m/z 0.20% 0.188% 4085 1.2 234 227756 10691686 9819908 2-3 20: 118 146 145 105 104 119 51 117 65 63 42 39 91 64 77 50 76 90 89 78 0.938 27.93 318.9 79 99 93 98 146 104.6 19.957 0.071 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3872 1520.1 8.7 scans 74% 80 m/z 0.15% 0.127% 4150 1.0 226 298806 7236975 6770710 3-2 20: 80 171 104 53 78 170 172 91 77 81 51 65 103 105 79 128 39 63 168 167 0.932 28.39 326.7 78 98 93 98 171 102.3 20.471 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6599 1530.3 8.1 scans 76% TIC 0.11% 0.244% 4196 0.9 330 386109 0.287% 13858612 12145681 16238129 5-3 0.942 28.67 332.9 78 98 92 97 194 23.4 0.506 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0885 1546.5 7.5 scans 76% 71 m/z (180) 0.14% 0.270% 4269 1.2 337 312464 0.362% 15314239 14615833 20481542 1-0 20: 71 57 43 85 41 70 55 113 141 56 112 99 84 69 97 183 42 140 127 72 0.960 29.10 342.6 71 94 93 94 227 6.7 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1010 Contamination 29.61min 29.5053 1562.1 8.0 scans 95% TIC 0.025% 1.71% 4340 1.0 839 1791714 97178116 86952863 2-3 0.992 29.61 -151.0 80 99 97 99 503 145.0 2.992 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6688 1568.3 9.4 scans 67% 177 m/z (43) 0.040% 1.04% 4367 0.6 607 1118857 59238739 56312396 2-2 20: 177 158 157 130 159 91 77 105 117 116 149 133 89 131 192 63 156 90 78 119 0.944 29.68 355.8 76 98 88 98 192 59.7 0.966 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7644 1571.9 8.0 scans 55% 123 m/z 0.060% 0.186% 4383 0.9 285 751045 10570487 9918137 1-2 12: 123 135 124 107 95 79 109 77 93 125 193 81 0.814 29.77 357.9 78 98 77 98 193 26.5 0.870 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1635 1586.9 7.8 scans 53% TIC 0.37% 0.0635% 4451 1.2 206 123096 0.0920% 3598158 3598158 5205254 0-0 0.849 30.38 -8.0 80 84 85 83 212 2.1 0.000 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2337 1589.5 6.8 scans 34% TIC 0.68% 0.0143% 4463 1.1 143 66292 0.0524% 811829 811829 2964731 0-0 0.867 29.94 373.1 70 93 87 93 254 6.5 0.000 0.293 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5124 1600.6 8.4 scans 79% TIC 0.042% 0.339% 4510 1.3 381 1083383 19222877 18085271 1-2 0.953 30.50 375.8 80 99 93 99 206 104.5 7.529 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8229 1613.6 8.8 scans 28% 124 m/z (71) 1.9% 0.0190% 4563 1.0 84 23676 1080086 996473 3-2 4: 124 137 180 138 0.937 30.81 384.2 64 87 73 91 180 22.0 6.861 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8825 1616.1 8.2 scans 39% TIC 0.56% 0.0265% 4573 1.0 139 80037 1502748 1355218 1-1 0.736 30.88 0.1 91 93 65 91 204 16.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9362 1618.4 8.7 scans 7.0% 172 m/z (162) 4.7% 0.00448% 4582 1.6 40 9591 0.00534% 253501 235412 302131 3-0 2: 172 171 0.550 30.93 0.4 78 83 57 90 171 24.5 37.690 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2226 1630.4 12.2 scans 66% TIC 0.088% 0.516% 4631 0.9 385 517159 0.657% 29233344 27673677 37172301 2-0 0.834 31.18 395.4 76 98 84 97 180 89.9 5.461 0.045 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5136 1642.7 10.0 scans 59% TIC 0.37% 0.0770% 4680 1.2 184 120841 4358235 3966504 2-1 0.829 31.52 -0.0 93 96 82 95 166 34.9 3.601 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9150 1659.5 7.8 scans 56% 71 m/z (89) 0.83% 0.0717% 4748 0.7 162 54752 4057276 3433569 3-2 20: 71 57 85 43 83 55 82 99 69 70 41 113 84 169 112 56 111 126 67 155 0.834 31.92 -0.2 78 85 88 90 219 8.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0531 1665.3 6.7 scans 43% 221 m/z 0.47% 0.0474% 4771 1.0 156 95378 2686438 2448731 2-2 20: 221 73 147 222 295 207 341 355 223 296 342 281 297 148 267 208 356 326 74 182 0.878 32.08 -1.1 96 98 87 97 355 28.0 3.235 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2296 1672.8 9.0 scans 68% 57 m/z (281) 0.44% 0.101% 4801 0.9 193 101405 5732630 5286494 1-1 20: 57 71 43 85 41 183 99 56 55 113 182 70 42 149 69 127 105 141 97 211 0.967 32.24 -0.3 90 92 95 96 226 9.2 0.227 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4339 1681.3 12.1 scans 49% 57 m/z (160) 0.80% 0.0714% 4836 0.8 142 56896 4040033 3833412 0-1 20: 57 85 71 56 197 43 196 41 55 113 168 141 83 149 70 128 121 69 198 93 0.858 32.44 -0.4 76 87 82 85 226 3.7 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6777 1691.6 8.9 scans 63% 205 m/z (171) 1.9% 0.0777% 4878 1.0 168 23632 4399741 4185312 2-3 19: 205 119 91 93 105 159 107 147 162 79 187 131 146 121 135 202 133 117 149 0.940 32.67 0.1 91 94 90 96 220 10.8 0.414 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8719 1699.7 >8 scans 16% 109 m/z 1.2% 0.00874% 4910 0.0 84 35803 0.0418% 494569 460668 2364996 1-0 20: 109 134 84 67 45 165 164 80 54 41 195 222 151 117 58 147 221 69 115 83 0.563 32.87 0.2 60 68 45 73 186 4.7 0.310 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9315 1702.2 7.9 scans 78% 71 m/z 0.051% 0.270% 4920 1.0 346 880485 15322772 13900622 7-2 15: 71 43 159 111 243 56 41 155 72 173 83 143 98 89 73 0.971 32.93 -0.1 93 91 86 98 243 54.0 2.441 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0856 1708.7 7.5 scans 40% 83 m/z (101) 2.8% 0.0270% 4946 1.0 109 16110 1529060 1425820 1-1 20: 83 55 69 57 41 56 43 111 70 84 85 71 112 109 67 147 54 82 98 127 0.875 33.09 0.0 84 87 93 97 224 6.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3058 1718.0 7.3 scans 65% 57 m/z (196) 0.37% 0.0956% 4984 0.6 198 122634 5414183 4759943 4-1 16: 57 71 85 43 41 99 56 70 113 226 84 42 98 112 126 141 0.974 33.37 -2.8 94 98 98 99 226 22.9 1.342 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8879 1728.2 7.7 scans 58% 71 m/z (247) 0.87% 0.0542% 5082 1.1 148 52247 3066698 2690270 8-1 19: 71 57 43 85 70 197 55 41 99 169 56 113 168 127 196 141 72 211 58 0.924 33.90 -0.1 89 91 93 98 197 27.4 3.441 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2686 1733.6 7.3 scans 25% 57 m/z (173) 2.0% 0.0145% 5146 0.9 80 22396 823826 742548 0-1 18: 57 71 43 85 211 210 98 41 55 141 100 127 113 182 86 70 183 168 0.848 34.27 0.0 88 95 90 94 211 15.4 3.689 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3784 1735.2 10.6 scans 95% 355 m/z 0.0092% 5.86% 5165 0.5 1400 4931416 331586371 307914160 2-2 20: 355 73 147 356 401 282 222 402 327 267 403 74 223 385 191 339 131 265 205 268 0.997 34.39 452.2 80 100 99 100 415 174.3 1.552 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8365 1741.7 16.4 scans 88% 91 m/z 0.027% 1.66% 5243 0.2 618 1666030 94027566 86706050 1-2 20: 91 155 199 90 65 184 92 89 120 44 137 63 106 77 39 156 200 64 51 134 0.987 34.79 452.7 80 100 98 99 199 177.4 8.247 0.051 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9174 1742.9 >7 scans 35% TIC 1.1% 0.00952% 5256 0.0 136 41117 0.0378% 538610 538610 2138680 0-0 0.894 34.90 0.2 89 92 91 96 224 15.4 1.290 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3460 1749.0 8.7 scans 62% 69 m/z (169) 0.53% 0.134% 5329 0.7 216 84529 7615275 6837554 3-1 20: 69 55 56 126 95 81 41 70 111 82 83 109 96 137 67 97 72 112 98 110 0.976 35.35 451.6 72 93 95 98 196 18.8 0.760 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7002 1754.1 8.4 scans 47% 209 m/z (71) 0.73% 0.0971% 5389 1.0 195 62060 5494920 5310534 1-2 17: 209 193 224 165 181 105 167 210 166 77 195 175 178 78 179 103 131 0.800 35.70 451.4 61 85 64 87 224 40.1 4.218 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9416 1757.5 9.6 scans 53% 91 m/z (85 72) 0.26% 0.158% 5430 1.0 231 173597 8952991 8548577 1-4 17: 91 155 184 65 199 92 44 89 63 120 156 186 90 185 157 148 221 0.844 35.94 451.1 62 90 68 89 238 6.5 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4883 1765.4 6.8 scans 17% 221 m/z 0.41% 0.0710% 5523 0.9 189 110901 4020509 3765652 1-3 17: 221 73 147 295 281 369 223 341 296 327 148 282 74 370 355 297 371 0.904 36.58 448.9 76 98 89 98 369 31.1 2.695 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1996 1775.5 8.0 scans 52% 209 m/z 0.17% 0.129% 5643 1.0 237 260392 7351366 6881275 2-2 20: 209 224 181 167 210 165 178 105 179 166 194 225 103 77 91 115 193 152 119 182 0.897 37.20 449.2 78 98 87 98 224 78.8 11.023 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1016 Octadecane 37.2982 1776.9 8.8 scans 63% 71 m/z (150) 0.42% 0.134% 5659 1.2 216 106837 0.200% 7586513 6924502 11315769 0-4 19: 71 85 57 43 99 113 127 55 41 84 69 155 169 70 111 141 56 72 126 0.972 38.91 -23.1 80 85 94 85 254 4.0 0.000 -1.612 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0550 1787.8 8.7 scans 61% 57 m/z (138) 0.47% 0.0974% 5788 1.1 189 95571 5511333 5015383 2-2 20: 57 71 85 43 56 225 41 99 55 113 224 69 127 141 97 70 87 226 155 239 0.958 38.06 448.1 75 98 97 99 225 33.5 3.150 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5893 1795.4 13.1 scans 95% TIC 0.010% 7.02% 5878 0.4 1396 4238585 397473993 387968308 2-1 0.986 38.59 447.3 80 99 97 99 429 411.1 8.684 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4429 1866.1 7.7 scans 38% 74 m/z (123) 1.6% 0.0293% 6023 0.9 110 27474 1662996 1517680 2-2 14: 74 87 129 60 75 143 211 59 101 230 185 228 189 157 0.885 39.45 504.6 68 92 86 97 256 13.0 1.400 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1018 ? Neophytadiene 39.7682 1906.4 7.7 scans 92% 68 m/z 0.073% 1.07% 6078 0.8 697 619361 60674309 58445230 2-1 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 124 79 85 56 70 0.994 39.94 537.3 79 99 99 99 278 37.2 0.285 -0.168 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8850 1920.9 7.4 scans 67% 58 m/z 0.35% 0.129% 6098 1.0 257 127003 7299212 6893683 1-3 13: 58 43 59 55 109 95 110 124 81 56 123 82 250 0.931 39.88 552.6 77 98 94 97 250 27.9 1.173 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3060 1973.1 8.1 scans 60% 149 m/z 0.080% 0.132% 6169 1.0 237 563777 7498030 7123415 2-2 14: 149 150 223 104 76 205 65 93 121 132 167 224 77 206 0.893 40.31 598.2 78 99 88 98 223 53.3 5.072 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5923 2008.6 7.3 scans 54% 221 m/z (91) 0.61% 0.0552% 6218 1.1 157 74130 3125643 2899929 2-2 20: 221 73 147 295 207 281 222 369 297 296 223 148 282 355 370 341 208 74 401 371 0.934 40.63 628.5 75 97 96 99 369 25.9 2.710 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1254 ?? Phytol 40.8479 2040.3 8.3 scans 28% 81 m/z (83) 2.3% 0.0317% 6261 1.5 108 19394 1798637 1647816 1-2 14: 81 82 95 124 123 68 79 183 278 127 147 122 72 221 0.833 40.87 -2.4 64 71 59 77 278 14.2 1.705 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9949 2058.5 8.4 scans 41% 138 m/z 0.72% 0.0486% 6286 0.9 153 63094 2755011 2578903 1-1 17: 138 109 120 69 121 124 83 262 139 65 92 93 82 95 81 263 149 0.873 41.00 672.7 78 100 90 99 262 21.5 1.963 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2375 2088.6 8.1 scans 67% 79 m/z 0.27% 0.198% 6327 1.0 295 168073 11249222 10877842 1-1 20: 79 67 93 95 80 91 108 55 41 121 81 77 94 107 135 87 59 78 122 105 0.852 41.26 -2.4 98 99 86 97 264 21.7 0.541 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4441 2114.2 8.5 scans 76% 205 m/z 0.26% 0.312% 6362 0.7 360 168902 17674875 16428510 3-2 20: 205 57 217 189 177 220 55 175 232 91 41 261 203 191 192 206 161 77 109 115 0.918 41.49 -82.4 84 100 93 99 276 24.6 0.466 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8290 2138.4 8.9 scans 38% 71 m/z (101) 1.3% 0.0433% 6428 1.0 118 33426 0.0542% 2454570 1929632 3066573 3-2 20: 71 57 85 43 84 55 81 69 252 125 41 97 98 140 56 113 253 111 127 94 0.885 41.48 19.4 66 74 86 78 268 2.1 0.000 0.346 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0126 2148.7 8.2 scans 89% 74 m/z 0.021% 1.57% 6458 0.7 809 2092726 88987609 83387976 3-2 20: 74 87 143 43 55 75 227 41 270 69 57 239 129 83 97 185 101 199 88 241 0.955 42.01 746.7 80 100 97 99 272 25.7 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3042 2165.1 9.3 scans 93% TIC 0.034% 1.34% 6508 1.2 698 1313990 76033254 70805465 2-5 0.989 42.37 756.1 74 90 93 99 503 115.1 2.720 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 42.3414 2167.2 >11 scans 0.33% 258 m/z 12% 0.000789% 6514 999.0 25 3664 0.00151% 44643 39985 85434 0-1 20: 258 250 97 106 443 190 165 196 116 309 312 508 136 215 82 111 182 129 183 125 0.028 42.99 -36.4 65 80 4 75 272 10.2 0.000 -0.649 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3591 2168.2 8.3 scans 18% 161 m/z (115) 2.2% 0.0440% 6517 1.0 127 20416 2490131 2185340 6-4 17: 161 119 91 77 93 79 105 81 107 229 162 67 121 120 92 109 53 0.857 42.40 -2.2 85 94 86 92 272 9.6 0.567 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2854 2220.2 8.5 scans 44% 91 m/z (141) 4.0% 0.0327% 6674 1.1 111 11123 1852432 1663433 2-3 20: 91 105 93 131 77 79 119 145 146 107 147 106 133 117 81 134 159 132 143 157 0.799 43.31 -1.2 73 84 61 83 278 11.1 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8456 2251.6 8.2 scans 46% 71 m/z (205) 1.3% 0.0415% 6769 1.3 123 34436 2353437 2084864 2-4 18: 71 85 127 43 99 113 136 84 239 69 70 268 121 141 72 183 169 42 0.859 43.94 -5.1 61 73 81 82 282 6.0 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1234 Thunbergol 44.8975 2312.0 >13 scans 23% 99 m/z (131) 8.1% 0.0145% 6947 0.0 63 5589 0.0308% 821354 764854 1742628 3-0 20: 99 201 189 71 107 105 68 224 106 161 121 94 43 149 109 119 67 93 169 133 0.643 44.90 -0.2 80 91 58 86 272 6.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9631 2315.8 8.7 scans 45% 131 m/z (83) 3.9% 0.0417% 6958 1.0 116 11559 2360390 1959228 5-9 16: 131 105 145 134 119 157 133 159 171 227 270 143 199 129 106 130 0.842 44.99 855.4 70 95 79 98 270 17.3 2.221 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4519 2343.9 8.0 scans 63% 81 m/z (58) 1.3% 0.0646% 7040 1.2 158 33464 3657099 3336893 2-0 19: 81 43 79 69 68 41 55 67 109 93 53 97 149 82 121 133 135 94 107 0.919 45.47 874.0 72 97 90 96 288 6.2 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7789 2362.7 9.1 scans 58% TIC 0.36% 0.109% 7096 1.1 212 126279 6203061 5785231 2-2 0.757 45.78 0.1 98 99 90 98 503 19.9 0.881 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9418 2372.1 8.9 scans 91% TIC 0.017% 2.40% 7124 0.7 964 2639450 135998347 125664878 2-5 0.967 45.92 893.4 79 98 98 99 298 167.7 3.026 0.022 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1228 ?? C18:2-butanoate 45.9731 2373.9 13.3 scans 16% 294 m/z (266) 1.0% 0.0452% 7130 1.9 144 44274 0.0911% 2560249 2414167 5154333 0-1 10: 294 263 77 150 164 80 178 295 120 94 0.866 46.00 -1.7 64 71 53 72 294 15.6 1.171 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1083 2381.7 8.2 scans 81% 79 m/z (265) 0.19% 0.346% 7152 0.9 364 229082 19604203 17623518 2-5 20: 79 67 95 93 108 80 81 55 91 41 94 107 77 121 135 149 109 78 136 122 0.983 46.13 -1.5 95 96 97 99 292 27.9 0.586 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7618 2419.3 7.7 scans 89% 74 m/z 0.076% 0.439% 7263 1.0 442 596883 24845395 23379331 2-2 20: 74 87 43 143 75 55 298 255 41 57 69 199 83 97 129 59 101 88 267 71 0.974 46.76 924.2 79 99 98 99 298 81.5 3.397 0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5003 2461.8 7.6 scans 22% 138 m/z (237) 5.3% 0.00578% 7388 1.1 48 8467 327459 288954 5-2 6: 138 120 121 140 122 306 0.687 47.50 949.0 68 97 74 95 168 6.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9224 2543.7 7.7 scans 67% 73 m/z (69) 1.0% 0.0336% 7629 1.2 117 43247 1905509 1714658 3-4 20: 73 147 355 221 429 281 295 430 207 357 341 222 369 415 267 149 401 283 358 327 0.850 48.95 993.3 73 97 91 99 429 32.9 7.851 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3516 2625.9 7.6 scans 88% 74 m/z 0.16% 0.223% 7871 1.1 313 276673 12670876 11956057 2-4 20: 74 87 43 143 326 75 55 57 69 283 41 97 83 129 71 59 199 227 88 185 0.945 50.36 1038.9 78 99 96 99 326 62.3 3.945 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8398 2711.5 8.4 scans 59% 73 m/z 1.4% 0.0239% 8123 1.0 97 32295 1357002 1236283 2-5 20: 73 147 221 355 281 429 207 431 295 222 504 356 505 327 282 283 401 223 369 432 0.785 51.86 1080.6 76 98 77 97 503 15.3 2.469 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1327 771.8 5.0 scans 89% 77 m/z (72) 0.045% 0.226% 42 2.6 344 1084993 10900183 8950658 1-9 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 58 64 80 1.000 4.37 17.8 99 100 100 100 77 292.3 72.408 -0.238 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.1634 824.7 8.6 scans 56% 57 m/z (77) 2.6% 0.00710% 386 0.4 54 18937 341703 301811 2-1 10: 57 41 87 39 58 45 59 83 56 55 0.960 6.03 -136.9 75 97 95 97 102 6.1 1.279 0.130 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5938 835.9 19.8 scans 69% 207 m/z 0.61% 0.0462% 458 2.8 102 80203 2222187 2100960 1-1 19: 207 208 96 177 209 191 193 119 161 103 147 89 75 149 194 135 134 176 67 0.817 6.53 -140.9 80 100 82 99 207 79.5 60.792 0.066 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6823 864.3 10.8 scans 51% TIC 0.85% 0.0882% 643 1.9 166 58130 4244074 4019598 1-3 0.557 7.71 9.0 90 92 51 89 98 82.0 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.6878 994.6 >17 scans 19% 191 m/z (60) 2.7% 0.00726% 1490 999.0 57 17884 0.0473% 349328 349328 2274800 0-0 12: 191 205 284 267 163 282 251 249 250 147 110 235 0.708 12.22 48.3 84 97 76 96 281 37.5 43.195 0.468 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.0603 1004.5 9.7 scans 82% 81 m/z 0.28% 0.114% 1554 1.9 196 175904 5523392 5128315 2-2 20: 81 110 53 39 79 67 41 68 95 65 77 51 82 66 50 40 54 91 109 52 0.950 13.22 40.9 92 96 92 99 110 58.1 8.796 -0.162 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1022 ? Octanal 13.2982 1010.9 8.0 scans 67% 43 m/z (98) 2.2% 0.0433% 1594 1.4 132 21601 2085607 1888079 1-5 20: 43 57 84 56 41 44 55 69 82 68 42 85 39 67 100 71 54 110 99 70 0.916 12.96 -163.9 75 96 97 99 110 13.0 0.971 0.343 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.0567 1031.4 >14 scans 33% TIC 4.4% 0.00296% 1723 0.0 43 11097 0.00384% 142673 130454 184677 1-0 0.813 13.76 -168.1 75 96 81 97 134 16.1 14.063 0.300 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1016 Limonene 14.2191 1035.8 8.1 scans 84% 68 m/z 0.40% 0.155% 1750 1.2 256 121926 7479022 6927251 1-7 20: 68 93 67 79 94 121 136 92 107 91 53 39 77 80 41 124 81 95 123 65 0.928 13.89 60.5 84 92 91 99 136 49.9 3.797 0.327 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.3909 1040.5 10.0 scans 53% 108 m/z (82) 2.2% 0.0239% 1780 1.6 89 22278 1151824 1045623 1-2 18: 108 79 107 77 51 89 91 78 50 80 105 65 93 63 58 75 90 61 0.950 14.11 61.5 86 99 94 99 108 40.5 20.863 0.282 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.7380 1049.9 9.8 scans 91% TIC 0.042% 0.562% 1838 1.2 438 1156055 27069923 23881595 4-5 0.993 14.44 65.1 89 100 99 100 120 141.6 10.473 0.296 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4310 1068.7 >11 scans 83% 105 m/z 0.16% 0.180% 1955 0.9 255 291896 8673142 7837963 2-1 20: 105 77 123 51 46 106 50 78 124 74 76 66 79 75 52 53 95 67 64 49 0.978 15.17 71.3 88 100 98 100 123 91.2 12.753 0.261 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN 98-86-2 ? Acetophenone 15.5178 1071.0 9.6 scans 79% 105 m/z 0.11% 0.240% 1970 1.0 312 432094 0.322% 11547813 10820491 15485952 0-2 20: 105 77 120 51 106 50 78 43 74 121 76 63 65 39 75 52 91 62 89 38 0.987 15.29 -174.7 79 98 98 99 120 111.4 12.787 0.225 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.6636 1075.0 8.3 scans 52% TIC 0.31% 0.0704% 1995 1.4 201 158121 0.0819% 3389287 3228891 3938818 1-0 0.703 15.43 73.3 80 100 80 99 124 63.8 10.090 0.231 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.4198 1095.5 7.6 scans 28% 132 m/z (105) 6.0% 0.00519% 2123 1.2 49 8160 249917 229831 1-2 9: 132 117 131 115 81 128 116 92 89 0.892 16.25 -179.1 71 95 81 96 132 25.3 26.771 0.166 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1016 Nonanal 16.9612 1115.8 8.2 scans 89% 57 m/z 0.17% 0.427% 2215 1.2 423 278735 20555368 18769277 4-5 20: 57 41 56 55 43 98 70 44 69 82 68 81 95 96 67 39 42 71 54 45 0.979 16.82 93.4 80 98 96 99 124 27.7 0.000 0.146 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1518 1123.9 9.2 scans 52% TIC 0.87% 0.0380% 2247 1.6 134 56474 0.0424% 1829696 1692679 2039144 1-0 0.773 16.97 99.2 77 98 76 98 128 35.3 6.963 0.184 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.2327 1127.3 9.5 scans 28% 91 m/z (129) 2.2% 0.0121% 2261 1.4 63 22192 585819 515611 5-2 6: 91 92 122 93 119 135 0.812 17.05 101.3 72 98 88 97 122 22.2 12.623 0.181 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1961 1168.0 9.7 scans 49% 73 m/z 0.61% 0.0627% 2424 1.5 152 80134 3018678 2692963 8-1 20: 73 355 267 356 268 269 251 249 357 193 155 74 270 223 358 253 75 162 154 339 0.934 18.13 -163.7 79 99 89 99 355 62.3 16.893 0.065 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN M4942-N1002 ? Pyranone 18.3000 1172.4 12.2 scans 55% 144 m/z (282) 0.43% 0.175% 2442 1.2 212 112935 8428055 7672880 2-4 10: 144 43 44 101 72 45 115 58 71 54 0.978 20.04 -218.1 77 99 97 99 144 91.2 18.524 -1.742 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.3024 1172.5 11.8 scans 50% TIC 0.44% 0.0772% 2442 1.1 201 112428 3714968 3362223 1-2 0.898 18.22 129.0 79 99 87 98 144 90.3 20.219 0.081 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8526 1195.7 >12 scans 11% 79 m/z (60) 2.3% 0.0456% 2535 0.6 120 21426 2197780 2197780 0-0 11: 79 108 125 81 110 100 41 69 65 109 43 0.885 18.71 144.9 68 93 83 95 153 2.8 0.000 0.147 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.9553 1200.0 >13 scans 23% TIC 0.95% 0.0402% 2553 0.9 206 51834 1934811 1720047 7-1 0.951 18.83 147.3 69 85 90 99 122 12.9 0.395 0.125 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.2363 1211.9 9.4 scans 1.8% 81 m/z (43) 2.4% 0.0113% 2600 1.5 63 20202 546325 528062 2-0 2: 81 54 0.818 19.12 154.8 65 94 79 93 97 11.1 0.000 0.115 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1266 Octanoic acid 20.0185 1245.0 >20 scans 94% 60 m/z 0.088% 1.79% 2733 0.1 620 558267 86500069 81551441 1-3 20: 60 69 85 55 41 73 97 101 57 87 43 115 88 45 42 39 56 83 108 82 0.991 22.03 -64.1 83 90 92 99 175 0.0 0.000 -2.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 20.1785 1251.7 7.4 scans 78% 105 m/z 0.31% 0.0904% 2760 0.4 208 155315 4349559 4064489 0-10 16: 105 122 77 51 50 74 78 106 123 76 52 75 66 94 37 49 0.956 20.03 181.0 75 94 92 95 122 102.1 23.995 0.149 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4264 1260.9 10.9 scans 13% 43 m/z (97) 9.0% 0.00483% 2802 0.5 40 5490 232472 199565 0-1 7: 43 84 85 58 98 113 93 0.816 20.32 3.2 82 93 74 88 170 4.3 0.000 0.106 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6183 1266.7 8.1 scans 84% TIC 0.30% 0.294% 2834 0.8 361 159969 14159131 13212789 2-2 0.955 20.56 188.0 78 97 97 99 128 31.0 0.739 0.055 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1034 ? Decanal 20.6183 1266.7 7.9 scans 82% 57 m/z 0.31% 0.282% 2834 0.9 358 157197 13596342 12791619 3-2 20: 57 41 43 55 70 82 71 68 44 83 112 81 56 67 69 96 42 84 39 54 0.956 20.57 -140.3 78 97 98 98 138 18.9 0.280 0.049 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 20.6183 1266.7 7.9 scans 88% 57 m/z (88) 0.31% 0.321% 2834 0.9 370 157005 15468184 14552673 3-2 20: 57 41 43 55 70 82 71 68 44 83 112 81 56 67 69 96 42 84 39 54 0.997 16.82 -24.7 70 72 86 75 124 3.6 0.000 3.803 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0687 1280.2 13.9 scans 43% 77 m/z (152) 0.38% 0.100% 2910 1.2 162 127344 4830995 4506436 1-4 12: 77 66 138 95 78 50 52 62 40 135 154 38 0.890 20.98 195.2 77 100 98 99 152 7.2 0.000 0.086 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0687 1280.2 13.9 scans 71% 77 m/z (94) 1.0% 0.164% 2910 1.2 207 47650 7913997 7382314 1-4 12: 77 66 138 95 78 50 52 62 40 135 154 38 0.874 21.00 194.9 65 89 74 87 155 0.0 0.000 0.068 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1024 ? Hexadecane 21.1507 1282.6 7.7 scans 18% 71 m/z (144) 6.7% 0.00544% 2925 1.3 50 7292 261848 248131 0-2 8: 71 70 56 112 99 141 72 58 0.878 33.32 15.6 70 80 69 78 226 0.0 0.000 -12.168 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3237 1287.8 9.6 scans 15% 281 m/z 2.2% 0.00841% 2954 1.4 55 21999 404491 354821 3-4 16: 281 135 283 193 136 207 251 125 63 208 282 179 267 191 133 265 0.324 12.25 134.7 73 97 65 96 281 41.6 58.288 9.073 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9713 1337.3 9.9 scans 47% 43 m/z (71 97) 0.43% 0.100% 3233 1.0 187 114564 0.108% 4826014 4556829 5194046 0-2 17: 43 69 109 86 41 55 110 84 70 128 39 67 42 111 112 53 170 0.874 22.91 223.7 64 92 80 92 127 24.2 1.668 0.058 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.4778 1352.5 >22 scans 82% 60 m/z 0.22% 0.470% 3319 0.1 331 219094 22608493 21523980 0-3 20: 60 73 57 41 55 129 43 115 98 69 87 39 45 70 56 61 101 42 83 84 0.980 22.70 -122.8 77 95 94 99 158 22.3 0.453 0.782 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1006 ? Tridecane 23.8751 1364.4 9.3 scans 50% 57 m/z (135) 2.2% 0.0289% 3385 0.8 101 22081 1394187 1266116 2-1 15: 57 71 85 184 41 84 56 70 112 86 42 141 98 164 72 0.801 23.86 0.4 76 91 84 89 184 10.5 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1130 1372.4 7.3 scans 59% 73 m/z 0.35% 0.0821% 3426 1.0 202 140954 3950697 3727099 2-3 19: 73 341 429 342 147 325 343 430 431 326 74 207 327 251 432 75 148 45 344 0.925 24.17 -151.4 79 99 90 99 429 55.7 7.631 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.5758 1387.8 7.5 scans 66% 71 m/z (119) 0.94% 0.0495% 3504 1.0 151 52528 2383015 2155164 2-1 18: 71 57 85 43 41 84 70 113 127 55 99 155 56 86 112 42 72 126 0.975 24.54 250.5 76 98 96 99 169 15.3 1.032 0.034 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7358 1393.2 9.7 scans 47% 43 m/z (57) 1.1% 0.0506% 3532 0.6 122 44558 2436974 2185211 1-3 19: 43 83 82 41 55 58 113 56 85 111 39 68 127 128 93 42 100 40 53 0.716 24.70 253.6 66 96 78 95 170 4.8 0.000 0.040 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2594 1410.7 7.2 scans 49% 43 m/z 0.56% 0.0269% 3620 0.7 112 87322 1297797 1119833 7-3 8: 43 103 145 116 115 86 74 61 0.937 25.24 -149.2 78 99 94 99 145 42.2 14.276 0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5959 1421.9 17.5 scans 94% TIC 0.0097% 5.81% 3677 0.5 1146 5064390 279894701 269802023 1-2 0.996 25.89 264.9 78 97 95 97 162 302.7 6.975 -0.296 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8232 1429.5 7.7 scans 76% 93 m/z 0.17% 0.193% 3716 1.0 308 279085 9288529 8475653 2-2 20: 93 121 43 136 91 79 77 81 194 94 41 107 123 95 108 67 137 122 39 53 0.924 25.78 274.2 75 96 88 96 194 47.6 2.387 0.046 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0965 1472.0 6.8 scans 24% 221 m/z (98) 3.7% 0.00856% 3931 0.9 66 13320 411785 391242 1-2 15: 221 73 147 281 222 267 356 355 268 148 223 191 282 283 357 0.852 27.12 297.1 71 96 81 94 355 12.1 3.344 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1827 1474.9 7.9 scans 68% 57 m/z (98) 0.69% 0.0586% 3946 1.1 159 70976 0.107% 2820713 2614424 5145953 2-0 19: 57 71 85 43 41 56 55 99 198 70 126 84 42 112 69 127 154 86 169 0.991 27.21 -0.9 95 97 97 97 198 19.3 1.472 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0299 1506.7 14.4 scans 65% 118 m/z (190) 0.39% 0.158% 4090 1.5 195 124858 7641084 7012989 2-2 19: 118 145 146 78 51 65 117 104 41 63 105 39 42 59 82 76 38 140 92 0.915 27.93 320.0 75 98 94 98 146 85.9 19.486 0.099 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4041 1520.7 8.7 scans 80% 80 m/z 0.12% 0.206% 4153 0.9 297 407316 9940629 9468469 2-2 20: 80 171 104 53 78 172 170 77 91 81 65 51 103 39 79 105 52 63 115 50 0.953 28.39 327.3 79 99 95 98 171 129.6 19.062 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6733 1530.9 7.9 scans 71% 43 m/z 0.13% 0.259% 4199 1.0 352 366723 0.272% 12499988 11223465 13081301 6-5 19: 43 69 41 151 136 107 67 125 93 109 83 53 39 121 81 68 79 108 77 0.942 28.67 333.5 78 98 92 97 194 23.3 0.437 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1013 1546.9 7.8 scans 71% 71 m/z (165) 0.16% 0.321% 4271 0.9 371 295143 0.439% 15462425 14141217 21112835 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 69 97 183 42 140 135 72 0.907 29.10 343.0 70 94 93 95 227 8.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5139 1562.5 7.6 scans 95% TIC 0.028% 1.64% 4341 1.0 863 1767224 78958868 72708199 2-2 0.992 29.61 -150.6 80 99 98 99 503 124.1 2.071 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6786 1568.6 9.3 scans 65% 177 m/z (43) 0.050% 0.972% 4369 0.8 600 971858 46775698 42611070 3-2 20: 177 158 157 130 91 159 105 149 117 119 133 116 192 89 131 63 78 156 90 103 0.934 29.68 356.1 75 97 88 97 192 61.0 1.031 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7766 1572.3 8.0 scans 61% 123 m/z (85) 0.078% 0.253% 4386 1.0 330 632080 12191911 11132009 1-3 18: 123 135 124 107 79 95 109 77 39 93 81 108 125 53 67 193 105 165 0.979 29.77 358.3 77 99 98 99 193 26.8 0.659 0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1716 1587.2 7.9 scans 66% 57 m/z 0.36% 0.117% 4452 1.3 250 135559 0.184% 5669874 5301301 8849115 1-0 20: 57 71 85 43 41 99 55 113 84 56 70 127 69 98 155 86 83 141 196 100 0.927 30.38 -7.7 80 81 90 83 212 0.0 0.000 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5122 1600.6 8.4 scans 76% TIC 0.045% 0.415% 4510 1.4 433 1090797 19977978 18968561 1-2 0.935 30.50 375.8 80 99 93 99 206 117.1 7.321 0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8333 1614.1 9.0 scans 29% 124 m/z (71) 1.8% 0.0236% 4565 1.1 94 26649 1136114 1035734 2-3 3: 124 137 180 0.938 30.81 384.7 66 89 73 92 180 24.4 6.684 0.026 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8888 1616.4 9.3 scans 42% 162 m/z 0.57% 0.0635% 4574 1.1 161 86613 3056224 2871399 1-2 20: 162 147 161 105 91 119 77 134 51 115 131 133 103 144 79 145 163 50 63 65 0.757 30.88 0.4 86 89 59 88 204 21.9 1.835 0.009 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2342 1630.9 9.6 scans 70% 111 m/z (225) 0.10% 0.556% 4633 0.6 439 473991 26782823 24488555 2-11 19: 111 109 137 67 180 110 73 124 152 95 79 77 81 39 223 91 65 165 341 0.948 31.18 395.9 75 96 95 99 180 95.2 4.714 0.056 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5364 1643.6 9.3 scans 63% 43 m/z (73) 0.38% 0.123% 4684 0.8 214 129271 5937389 5421185 2-1 20: 43 98 111 166 151 82 41 127 68 123 83 107 67 99 39 81 105 69 124 113 0.873 31.52 0.9 88 89 87 98 166 38.3 3.191 0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8097 1655.1 8.9 scans 13% 193 m/z (135) 2.8% 0.00851% 4730 1.1 59 17419 409589 402575 2-2 4: 193 161 194 175 0.732 31.80 0.6 61 69 30 75 208 11.2 3.562 0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9166 1659.6 7.7 scans 60% 71 m/z (134) 0.83% 0.0780% 4748 0.7 177 59511 3753291 3475337 2-1 20: 71 57 85 43 83 55 69 70 99 41 82 113 84 127 112 111 56 155 141 86 0.929 31.92 -0.1 74 80 82 84 219 3.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1200 ?? Contamination 32.08min 32.0453 1665.0 7.7 scans 31% 71 m/z (167) 2.8% 0.0415% 4770 0.8 132 17622 1996801 1818049 1-1 20: 71 223 70 123 267 131 183 57 43 105 154 41 342 91 224 177 182 146 117 124 0.601 32.08 -1.4 61 64 0 89 355 14.7 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2348 1673.0 8.5 scans 63% 57 m/z (157) 0.49% 0.112% 4802 1.2 216 100708 5412198 5039008 1-0 20: 57 71 43 85 41 183 99 56 55 182 113 70 42 149 69 127 184 83 97 105 0.973 32.24 -0.1 89 91 94 96 226 10.2 0.224 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4408 1681.6 >10 scans 49% 56 m/z (73) 0.83% 0.0748% 4837 1.4 165 59641 3599260 3348873 0-2 17: 56 197 85 196 149 99 97 113 55 150 168 164 198 141 170 67 127 0.907 32.44 -0.1 77 82 84 85 226 6.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6905 1692.1 8.7 scans 67% 205 m/z (136) 1.6% 0.118% 4879 1.0 216 29235 5720095 5205121 3-2 16: 205 105 93 159 107 79 162 147 187 77 131 106 121 146 133 145 0.939 32.67 0.6 93 95 90 98 220 12.2 0.319 0.016 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9408 1702.6 8.6 scans 81% TIC 0.044% 0.454% 4922 0.6 432 1120421 21856222 20424010 3-2 0.940 32.93 0.3 95 93 89 98 243 63.6 2.172 0.008 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1212 ? Hexadecene 33.0878 1708.8 7.9 scans 29% 57 m/z 2.7% 0.0153% 4946 1.2 109 17796 738478 677051 1-1 20: 57 83 55 97 69 43 41 70 147 84 85 82 96 81 71 98 125 89 42 77 0.713 33.09 0.1 79 90 74 87 224 6.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.3 scans 68% 57 m/z (152) 0.35% 0.128% 4984 0.7 236 138536 6184656 5699528 2-1 18: 57 71 43 85 41 55 56 99 70 113 226 42 84 98 112 72 141 58 0.981 33.37 -2.7 95 98 98 99 226 25.8 1.195 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8387 1727.5 8.3 scans 16% 217 m/z 0.99% 0.0162% 5073 1.1 86 49522 783815 745301 2-2 11: 217 232 218 115 129 87 201 189 116 157 158 0.781 33.83 452.8 69 92 60 93 232 38.4 19.952 0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8918 1728.2 >10 scans 60% TIC 0.78% 0.0399% 5083 1.0 170 63378 0.0784% 1923210 1867245 3770493 0-1 0.874 33.90 -0.1 92 98 91 97 197 30.0 3.108 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2726 1733.7 8.2 scans 30% 57 m/z (173) 1.6% 0.0227% 5147 0.9 99 29478 1092362 980054 1-1 18: 57 71 210 85 43 98 41 182 99 55 183 70 113 184 42 54 69 95 0.888 34.27 0.1 87 94 86 93 211 18.8 3.578 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3842 1735.3 11.1 scans 81% TIC 0.012% 5.09% 5166 0.4 1330 3882403 244823911 232868975 2-1 0.859 34.39 452.3 81 100 83 100 415 164.4 1.530 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8411 1741.8 16.2 scans 87% 91 m/z 0.035% 1.58% 5244 0.2 625 1382589 76431602 72468245 1-1 20: 91 155 199 90 65 184 89 44 120 137 63 39 106 77 134 64 51 200 109 121 0.982 34.79 452.8 80 100 98 99 199 174.6 7.809 0.055 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9072 1742.7 8.2 scans 27% 68 m/z (71 86) 1.6% 0.0427% 5254 1.1 130 29555 2054968 1842710 3-3 2: 68 224 0.882 34.90 0.0 89 94 94 99 224 16.6 1.629 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3529 1749.1 8.5 scans 68% 57 m/z (170) 0.42% 0.221% 5330 0.7 293 117721 10675093 9663773 3-0 20: 57 69 55 41 56 126 81 70 95 111 82 83 96 67 109 97 112 110 137 72 0.963 35.35 451.7 74 95 96 100 196 24.7 0.710 0.006 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7000 1754.1 8.4 scans 53% 209 m/z (57) 0.50% 0.130% 5389 1.1 231 98810 6253816 5727843 2-3 16: 209 193 224 105 181 167 165 210 77 166 195 79 175 103 194 179 0.977 35.70 451.4 67 88 87 91 224 45.3 3.845 0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 36.1109 1760.0 8.5 scans 62% 71 m/z 0.15% 0.290% 5459 1.2 377 318255 13959416 13090212 1-2 20: 71 85 57 43 99 113 69 127 55 41 155 84 70 83 141 56 86 111 169 205 0.838 29.94 543.6 69 93 87 97 254 0.0 0.000 6.170 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4863 1765.3 7.0 scans 10% 221 m/z 0.92% 0.0329% 5522 1.0 132 53437 1586438 1479154 2-2 16: 221 73 147 295 281 369 297 296 223 341 298 148 205 355 370 283 0.773 36.58 448.8 74 97 73 95 369 21.3 2.603 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2048 1775.6 8.3 scans 52% 209 m/z 0.18% 0.171% 5644 0.9 276 265548 8254073 7392967 3-2 20: 209 224 181 210 165 167 178 105 179 166 103 194 225 77 91 115 152 193 89 182 0.918 37.20 449.3 79 99 91 99 224 88.6 10.269 0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.3016 1777.0 9.0 scans 62% 71 m/z (225) 0.41% 0.176% 5660 1.1 250 118472 0.253% 8486467 7693540 12167533 0-3 20: 71 85 57 43 99 113 127 41 55 69 84 70 169 155 56 141 126 111 72 86 0.972 38.91 -23.0 78 83 94 83 254 2.8 0.000 -1.608 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0543 1787.8 8.8 scans 63% 57 m/z (209) 0.48% 0.120% 5788 1.0 216 102545 5797826 5321176 1-2 19: 57 71 85 43 56 41 99 225 55 224 69 113 127 70 83 141 155 98 58 0.955 38.06 448.1 75 99 97 99 225 35.8 2.764 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5791 1795.3 11.0 scans 80% 73 m/z 0.023% 4.71% 5877 0.4 1280 2120202 226932836 212732398 2-2 20: 73 147 221 355 341 281 430 207 356 222 431 148 267 357 282 223 325 208 133 283 0.844 38.59 447.2 80 99 79 99 429 385.2 9.065 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7751 1907.3 7.9 scans 93% 68 m/z 0.066% 1.54% 6079 0.7 853 746788 74451988 70557876 2-2 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.996 39.94 538.2 79 98 99 99 278 42.4 0.247 -0.161 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8866 1921.1 8.0 scans 69% 43 m/z 0.36% 0.160% 6098 1.0 290 133875 7699560 7130489 1-3 20: 43 58 71 59 57 85 55 109 95 41 69 110 124 83 81 123 56 70 82 96 0.936 39.88 552.8 77 98 94 97 250 29.0 1.004 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3087 1973.4 7.6 scans 49% 149 m/z 0.13% 0.0893% 6170 0.9 206 364023 4299234 3959236 2-2 11: 149 150 104 223 76 167 205 65 121 132 224 0.845 40.31 598.5 78 99 82 98 223 44.8 4.710 0.004 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N406_R~1-N1110 ? Phytol 40.3825 1982.6 17.5 scans 21% 81 m/z (42) 3.4% 0.0204% 6183 1.3 99 14549 0.0426% 981092 981092 2048763 0-0 20: 81 95 82 123 79 124 109 57 278 96 68 67 71 97 43 110 94 53 80 137 0.859 40.66 -34.6 71 85 74 84 278 12.5 1.598 -0.279 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5956 2009.0 7.1 scans 38% 221 m/z (187) 1.4% 0.0285% 6218 1.0 119 34820 1372972 1304663 1-4 20: 221 73 147 295 281 222 369 223 207 296 148 279 282 297 283 74 327 355 267 371 0.925 40.63 628.9 75 99 95 99 369 17.8 2.227 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1254 Phytol 40.8477 2040.2 7.9 scans 54% 82 m/z (150) 1.4% 0.0792% 6260 1.2 183 35006 3811850 3408741 2-4 12: 82 95 81 123 68 67 96 79 278 124 109 110 0.967 40.87 -2.5 91 94 95 96 278 20.9 1.312 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9906 2057.9 8.4 scans 29% 138 m/z 1.4% 0.0330% 6285 1.1 122 35000 1587134 1445109 3-2 7: 138 120 109 121 124 92 65 0.805 41.00 672.1 77 99 82 99 262 16.7 1.882 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2367 2088.5 8.2 scans 36% 79 m/z (72) 3.5% 0.0394% 6327 1.1 128 13830 1896382 1691314 1-5 9: 79 67 93 91 80 95 78 210 77 0.904 41.26 -2.5 75 85 78 83 264 5.6 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5260 2121.4 13.0 scans 92% 205 m/z 0.064% 2.55% 6376 0.3 865 763729 122700343 119256391 1-1 20: 205 217 57 175 189 220 177 232 55 91 203 192 109 161 105 149 206 135 176 115 0.994 41.49 -75.2 87 100 98 100 276 55.7 0.415 0.036 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8324 2138.6 8.1 scans 46% 57 m/z (175) 1.6% 0.0475% 6428 1.0 145 29641 2288374 2071444 1-1 20: 57 71 85 43 84 99 69 70 55 112 41 125 111 97 113 98 83 121 56 109 0.948 41.48 19.6 68 70 87 78 268 2.1 0.000 0.349 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9965 2147.8 7.9 scans 58% 74 m/z 0.16% 0.214% 6456 1.0 319 292282 10325136 9694031 3-4 19: 74 87 43 55 143 75 41 227 69 270 59 129 83 97 185 239 101 88 199 0.818 42.01 745.8 77 98 87 97 272 16.8 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0101 2148.6 9.1 scans 12% 93 m/z 2.2% 0.0470% 6457 0.9 144 22256 2262776 2035682 2-4 20: 93 81 107 105 119 91 121 79 77 229 133 109 159 161 273 148 257 145 112 173 0.494 42.05 -2.0 83 89 51 92 272 18.0 1.566 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3094 2165.4 9.6 scans 90% TIC 0.058% 0.834% 6509 1.2 565 849794 40129841 36409128 2-4 0.983 42.37 756.4 76 93 96 100 503 76.1 1.813 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3548 2167.9 8.5 scans 19% 161 m/z (73) 3.2% 0.0394% 6517 1.1 123 15352 1898800 1669174 7-2 16: 161 91 93 119 79 105 77 67 121 109 120 187 92 174 65 53 0.888 42.40 -2.5 91 96 88 94 272 9.4 0.585 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.3962 2226.4 >5 scans 22% 263 m/z (219) 3.5% 0.0126% 6693 9.8 77 14111 609913 517735 0-1 5: 263 156 161 235 264 0.576 43.31 5.0 82 89 45 88 278 11.3 2.139 0.089 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9723 2316.3 9.0 scans 49% 105 m/z (57) 3.8% 0.0538% 6959 0.8 140 12918 0.0596% 2589956 2310268 2866344 3-0 18: 105 131 91 145 119 157 133 79 270 93 143 77 147 227 92 228 120 185 0.833 44.99 855.9 71 96 79 98 270 19.5 1.961 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4487 2343.7 8.0 scans 66% 81 m/z (171) 1.4% 0.0721% 7040 1.1 175 33967 3470738 3162458 2-1 20: 81 43 107 71 79 69 123 41 95 68 55 93 67 53 97 94 109 135 83 149 0.948 45.47 873.8 73 98 93 96 288 6.4 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1234 ?? Thunbergol 45.5461 2349.4 9.7 scans 37% 107 m/z (85) 4.6% 0.0209% 7057 1.2 91 10669 1007868 905967 1-1 19: 107 79 147 43 137 71 121 125 136 109 124 123 163 93 146 65 133 149 73 0.854 44.90 37.2 64 77 74 76 272 2.0 0.000 0.645 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7764 2362.6 7.8 scans 43% 73 m/z 0.53% 0.0717% 7096 1.1 183 93005 3452858 3225346 3-3 18: 73 147 355 221 281 356 207 357 148 227 282 341 131 295 222 429 117 415 0.649 45.78 0.0 94 96 82 95 503 14.2 0.600 0.000 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9104 2370.3 7.7 scans 82% 74 m/z 0.14% 0.293% 7119 0.9 377 352686 14126046 12979022 1-4 19: 74 87 43 143 75 255 55 41 57 69 298 199 83 97 59 101 129 88 56 0.961 45.92 891.6 78 98 95 99 298 56.9 2.276 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0910 2380.7 8.9 scans 40% 79 m/z (270) 2.9% 0.0289% 7149 1.1 100 16623 1393412 1190820 3-7 13: 79 95 67 80 94 136 59 135 236 66 122 292 78 0.911 46.13 -2.5 82 89 85 88 292 7.5 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN HCMIX_~1-N1022 ? Henicosane 46.6194 2411.1 7.8 scans 40% 71 m/z (55) 2.7% 0.0216% 7238 0.9 93 18003 1039534 923747 4-2 19: 71 85 57 43 99 113 112 127 41 70 83 84 56 155 169 86 125 154 197 0.882 46.28 19.4 70 78 76 76 296 0.0 0.000 0.337 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7557 2419.0 7.8 scans 62% 74 m/z (127) 0.88% 0.0462% 7262 1.2 142 56130 2224240 2060648 2-5 12: 74 87 143 75 298 255 199 129 101 241 267 256 0.949 46.76 923.9 76 99 93 98 298 24.5 2.977 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6755 2471.9 7.8 scans 19% TIC 8.5% 0.00122% 7418 1.4 40 5818 58856 51580 1-0 0.704 44.32 1024.6 68 95 66 91 369 9.0 0.000 3.355 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9222 2543.7 7.5 scans 58% 73 m/z 1.7% 0.0178% 7629 1.2 92 28132 858948 775352 2-3 20: 73 147 221 355 281 430 207 295 356 341 74 429 148 282 223 431 283 296 325 342 0.783 48.95 993.3 74 99 79 98 429 22.6 6.095 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3502 2625.8 7.7 scans 64% 74 m/z (141) 2.0% 0.0229% 7871 1.1 99 24171 1103744 981207 4-4 10: 74 87 43 75 143 283 129 88 326 101 0.836 50.36 1038.8 72 97 84 95 326 17.5 3.124 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8444 2711.8 8.2 scans 52% 147 m/z 2.5% 0.0123% 8123 1.1 72 19273 592149 543996 3-5 18: 147 281 341 356 355 283 503 267 149 357 429 222 369 430 431 265 327 209 0.703 51.86 1080.9 71 94 68 92 503 10.0 1.890 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\B WA_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6083 2870.8 9.1 scans 49% TIC 3.5% 0.00802% 8592 1.5 61 13814 385912 351108 2-2 0.701 45.81 1394.3 71 94 69 93 503 6.8 0.000 8.796 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1068 771.2 7.6 scans 80% 77 m/z (72) 0.075% 0.130% 37 4.3 254 670037 0.145% 8900301 8224862 9917767 0-4 15: 77 45 78 79 62 76 59 61 75 63 47 46 92 64 53 0.996 4.37 17.2 99 100 99 100 77 217.0 73.012 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1747 825.0 >4 scans 54% 57 m/z 0.69% 0.00932% 388 0.9 97 72498 0.0301% 638098 530816 2058792 0-9 13: 57 41 59 45 39 87 102 58 54 85 52 53 86 0.932 6.03 -136.6 72 92 90 93 102 11.8 1.494 0.142 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5200 834.0 18.8 scans 75% 207 m/z 0.48% 0.0459% 446 2.4 115 103632 3144392 2986487 1-1 20: 207 97 208 96 209 191 119 177 135 88 210 179 87 211 163 149 103 102 75 194 0.912 6.53 -142.8 80 100 90 100 207 85.3 55.410 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6334 863.0 8.5 scans 95% 69 m/z 0.077% 0.850% 635 1.4 627 654840 58144400 50868495 2-5 20: 69 55 41 83 39 42 57 98 70 97 43 56 80 53 54 79 40 68 51 81 0.996 7.71 7.7 100 99 99 100 98 129.9 4.291 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2061 982.0 9.4 scans 54% 281 m/z 0.38% 0.0557% 1410 2.3 149 130243 3812534 3272405 2-3 19: 281 43 282 283 108 69 41 249 55 71 193 133 111 265 191 251 67 207 284 0.654 12.22 35.7 92 97 71 99 281 95.7 41.302 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6571 993.8 9.8 scans 72% 81 m/z 0.20% 0.118% 1485 1.9 223 249115 8110645 7180475 2-3 19: 81 110 53 79 39 68 67 77 65 82 51 95 50 66 109 40 54 52 80 0.970 13.22 30.2 95 96 94 99 110 65.4 8.598 -0.565 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1040 Decane 12.7911 997.3 7.4 scans 24% 57 m/z (60) 1.8% 0.0132% 1508 1.0 84 27330 906882 798305 5-1 12: 57 43 71 85 142 99 70 84 113 83 72 86 0.792 12.90 -2.7 90 94 76 95 142 13.3 2.501 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1022 ? Octanal 12.9163 1000.5 8.1 scans 55% 84 m/z (45) 2.8% 0.0235% 1529 1.6 108 17742 1612092 1474255 0-3 12: 84 56 57 41 44 55 69 42 82 100 85 67 0.911 12.96 -174.3 70 95 86 94 110 12.0 1.252 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0857 1032.2 13.7 scans 68% 108 m/z 0.88% 0.0514% 1727 2.0 131 56958 3518449 3175811 10-2 19: 108 79 107 77 51 91 78 80 90 50 105 74 63 53 106 62 38 76 110 0.930 14.11 53.2 91 99 91 99 108 60.6 21.362 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4370 1041.7 9.6 scans 93% 91 m/z 0.048% 0.354% 1787 1.4 391 1046668 24274718 22305101 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 64 74 93 61 66 121 38 52 41 0.991 14.44 56.9 91 100 99 100 120 126.6 10.481 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1654 1061.5 >11 scans 44% 105 m/z 0.30% 0.0711% 1910 0.9 181 167543 4867696 4434053 2-1 12: 105 77 123 51 46 50 106 124 76 78 75 52 0.961 15.17 64.1 89 100 96 99 123 65.9 13.281 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN 98-86-2 ? Acetophenone 15.2569 1064.0 9.4 scans 69% 105 m/z 0.10% 0.189% 1926 1.2 305 491638 0.213% 12990881 11349885 14568858 4-4 19: 105 77 120 51 106 50 78 53 121 76 63 75 52 65 91 62 38 49 37 0.975 15.29 -181.7 78 98 93 98 120 110.9 13.228 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4234 1068.5 9.1 scans 46% 95 m/z 0.47% 0.0528% 1954 1.7 156 105783 3615883 3170605 2-4 12: 95 81 124 79 109 53 82 96 65 66 46 63 0.820 15.43 66.8 83 96 82 96 124 49.5 10.017 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2003 1089.5 8.3 scans 16% 117 m/z (209) 8.6% 0.00219% 2086 1.2 33 5831 150372 137996 1-1 8: 117 132 118 115 133 131 63 193 0.685 16.25 -185.1 67 95 71 94 132 20.2 36.524 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1002 Undecane 16.5834 1099.9 >9 scans 53% TIC 1.4% 0.0138% 2151 1.4 112 34032 946075 897751 0-1 0.833 16.59 -0.1 84 91 82 90 156 8.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7735 1107.9 8.4 scans 81% 57 m/z 0.23% 0.215% 2183 1.3 341 216288 14772209 13491594 5-4 20: 57 41 56 55 43 70 98 44 82 69 68 95 81 96 67 39 42 83 54 45 0.917 16.82 85.5 78 98 95 97 124 20.7 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1008 ? Maltol 16.9630 1115.9 8.5 scans 37% 71 m/z (81) 2.7% 0.0134% 2215 1.1 82 18669 920509 849932 1-2 14: 71 95 58 110 128 72 85 84 57 69 70 113 52 80 0.820 16.96 91.3 72 95 89 94 156 4.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0574 1119.9 >12 scans 30% TIC 1.9% 0.00672% 2231 2.5 61 25322 460032 408602 1-1 0.575 17.05 93.9 70 93 79 96 122 22.1 13.147 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0628 1162.3 8.1 scans 76% 73 m/z 0.28% 0.0864% 2402 1.5 215 175958 5912800 5407734 2-2 20: 73 355 267 356 357 268 269 251 207 74 193 339 75 358 249 191 59 179 270 162 0.897 18.13 -169.4 80 100 87 99 355 92.5 18.530 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN M4942-N1002 ? Pyranone 18.2198 1169.0 13.4 scans 62% 144 m/z (68) 1.3% 0.0435% 2428 1.1 118 37374 2981331 2673409 2-4 8: 144 43 72 101 45 44 88 146 0.940 20.04 -221.5 76 99 95 99 144 50.7 18.539 -1.822 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3201 1173.2 >8 scans 5.2% TIC 8.0% 0.000351% 2445 2.8 22 6319 23988 23988 0-0 0.150 12.25 20.1 75 94 36 91 281 21.1 89.619 6.069 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8249 1194.5 9.1 scans 26% 70 m/z 1.2% 0.0467% 2531 1.1 161 39303 3198757 2980126 2-1 12: 70 96 81 97 93 67 98 72 79 54 68 80 0.839 18.83 141.8 70 91 89 97 122 12.1 0.564 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7552 1233.8 10.6 scans 0.89% 119 m/z (73) 3.3% 0.00643% 2688 1.5 50 15197 439992 416705 2-2 3: 119 91 120 0.464 13.76 34.3 71 82 68 81 134 19.7 15.751 5.998 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8078 1236.1 >33 scans 35% TIC 0.087% 0.200% 2697 1.0 390 579253 0.821% 13740017 12941984 56155081 2-0 0.893 19.81 168.6 76 98 90 99 144 9.7 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1004 ? Octanoic acid 19.8627 1238.4 >17 scans 72% 109 m/z (57) 0.11% 1.04% 2706 0.7 491 435377 71187340 49983848 8-2 9: 109 96 65 135 95 94 112 138 142 0.982 19.87 170.1 78 99 99 100 144 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1266 Octanoic acid 19.8904 1239.6 >10 scans 89% 60 m/z 0.095% 0.611% 2711 0.2 557 531033 1.35% 41841356 39877873 92337831 0-4 20: 60 69 85 73 41 55 101 43 88 57 82 39 42 98 111 84 56 67 53 68 0.978 22.03 -69.5 80 90 89 98 175 0.0 0.000 -2.144 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3125 1257.4 8.1 scans 89% 57 m/z (131) 0.12% 0.243% 2783 1.1 359 409362 16668984 15272903 1-3 20: 57 71 43 85 41 56 55 70 170 42 84 99 98 69 112 113 39 58 127 72 0.996 20.32 -0.3 98 99 99 99 170 46.9 1.705 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1034 ? Decanal 20.5280 1263.9 8.8 scans 84% TIC 0.40% 0.180% 2819 1.0 304 123987 12320971 10703575 4-3 0.964 20.57 -143.1 73 91 94 98 138 16.0 0.277 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 20.5705 1265.2 >29 scans 22% 122 m/z 1.5% 0.0332% 2826 1.4 82 32586 2271490 2088275 2-1 9: 122 77 50 125 88 130 106 104 119 0.832 20.03 194.5 73 95 82 94 122 44.3 29.357 0.541 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9938 1277.9 11.3 scans 85% 94 m/z 0.022% 1.01% 2898 0.7 636 2225827 69201688 61599790 3-6 20: 94 138 77 95 66 65 51 107 39 45 78 50 139 63 91 43 40 55 38 74 0.928 20.98 192.9 79 98 97 100 152 48.2 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1024 ? Hexadecane 21.0811 1280.5 7.6 scans 36% 71 m/z (74) 1.5% 0.0217% 2913 1.0 111 32159 1487852 1343494 1-2 16: 71 57 85 43 70 41 99 140 113 115 141 56 86 125 169 72 0.875 33.32 13.5 77 79 89 82 226 0.0 0.000 -12.238 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1030 ?? Contamination 21.50min 21.4318 1291.1 11.1 scans 11% 133 m/z (97 71) 2.9% 0.00842% 2973 1.1 56 17339 576231 527655 2-4 9: 133 148 134 282 265 284 155 283 370 0.484 21.50 198.3 62 94 27 91 369 13.2 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4483 1291.6 7.1 scans 10% 147 m/z (71) 5.4% 0.00395% 2975 0.7 49 9272 0.00403% 270193 245372 275646 3-2 4: 147 148 370 371 0.716 21.56 -147.1 68 95 72 95 369 13.2 7.118 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0079 1308.4 8.0 scans 77% 175 m/z 0.072% 0.185% 3070 1.0 330 693415 12681056 11866015 3-2 20: 175 57 190 176 91 147 65 41 115 117 191 105 80 66 77 128 131 64 119 79 0.937 22.01 208.0 80 100 94 100 190 90.2 7.441 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 22.8368 1333.2 8.7 scans 60% 57 m/z 1.2% 0.0379% 3210 1.1 161 40509 2594384 2476094 1-0 20: 57 82 41 56 95 96 67 81 55 68 43 69 85 44 109 71 70 84 42 124 0.931 16.82 41.8 73 77 81 81 124 17.6 1.196 6.022 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.8256 1362.9 >20 scans 83% 73 m/z (72) 0.13% 0.685% 3377 0.2 428 383383 46896866 40354270 2-8 20: 73 60 57 129 115 55 41 43 69 87 98 61 39 56 83 42 70 96 158 84 0.973 25.35 213.7 74 94 92 99 162 0.0 0.000 -1.528 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.8256 1362.9 >20 scans 81% 73 m/z 0.12% 0.611% 3377 0.2 424 404796 41825815 35990683 2-8 20: 73 60 57 129 115 55 41 43 69 87 98 61 39 56 83 42 70 96 158 84 0.964 22.70 -112.4 76 94 93 99 158 28.2 0.443 1.130 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0936 1371.7 7.6 scans 78% TIC 0.11% 0.205% 3423 0.8 357 421835 14089693 13035427 4-3 0.937 24.17 -152.1 80 99 93 99 429 104.6 8.579 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5523 1387.1 8.3 scans 74% TIC 0.51% 0.0572% 3501 1.0 188 97894 3913019 3418815 2-3 0.927 24.54 249.8 78 99 92 99 169 21.4 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1006 ? Tridecane 24.5523 1387.1 8.0 scans 74% 71 m/z (111) 0.54% 0.0664% 3501 1.1 188 93504 4545879 4089228 2-3 19: 71 57 85 43 41 84 70 55 99 127 113 56 155 169 126 42 112 58 141 0.975 23.86 23.1 77 80 92 82 184 0.0 0.000 0.690 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7376 1393.2 10.0 scans 71% 43 m/z 0.33% 0.112% 3532 1.0 227 150031 7709877 7040988 3-2 20: 43 83 55 41 82 142 58 56 85 113 69 111 39 70 67 93 127 57 128 108 0.897 24.70 253.6 73 94 87 97 170 7.9 0.121 0.042 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2483 1410.3 6.7 scans 76% 43 m/z 0.12% 0.0823% 3619 0.9 239 416632 5629939 5333049 3-1 16: 43 103 145 116 115 86 73 74 61 146 44 42 104 117 158 75 0.987 25.24 -149.6 79 97 97 100 145 85.2 12.713 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1004 Nicotine 25.5747 1421.2 >24 scans 94% TIC 0.0070% 11.0% 3674 0.2 1558 7167767 756174428 722480690 0-4 0.998 25.89 264.2 80 99 98 99 162 447.8 8.262 -0.317 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN GLAU_R~1-N1080 ? Solanone 25.7996 1428.7 7.4 scans 70% 93 m/z 0.18% 0.120% 3712 0.9 283 269297 8225360 7782961 3-1 20: 93 121 43 136 91 79 77 194 81 94 41 107 95 123 71 108 67 137 151 122 0.935 25.78 273.4 74 95 88 95 194 43.6 2.376 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0948 1472.0 6.7 scans 54% 221 m/z 0.99% 0.0241% 3931 1.1 130 50823 1653043 1545483 2-2 20: 221 73 147 281 222 267 355 223 148 282 443 356 74 149 224 357 191 269 193 75 0.920 27.12 297.1 78 98 89 97 355 23.9 3.408 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1787 1474.8 7.6 scans 92% 57 m/z (58) 0.058% 0.518% 3946 1.1 537 870749 35497620 33721561 1-3 20: 57 71 43 85 41 55 56 70 99 84 69 42 198 98 113 112 83 39 126 127 0.999 27.21 -1.0 98 99 99 99 198 65.1 1.471 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9738 1504.6 10.9 scans 74% TIC 0.24% 0.0960% 4080 1.5 239 209791 0.128% 6572625 6432997 8754994 1-0 0.955 27.93 317.9 77 97 94 99 146 103.7 18.897 0.043 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3853 1520.0 8.6 scans 69% 80 m/z (71) 0.29% 0.0661% 4150 1.0 182 171725 4522458 4067012 3-3 16: 80 171 104 53 78 170 172 77 91 51 81 103 65 168 52 63 0.966 28.39 326.6 77 99 97 99 171 78.9 18.733 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6598 1530.3 8.1 scans 83% TIC 0.087% 0.316% 4196 0.9 425 580387 0.335% 21650882 18751467 22913462 5-4 0.961 28.67 332.9 79 98 95 98 194 27.4 0.415 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0890 1546.5 7.6 scans 69% 71 m/z (165) 0.20% 0.210% 4269 1.1 341 246465 0.261% 14383554 13186737 17851981 2-0 20: 71 57 43 85 177 41 70 55 220 141 56 113 99 112 135 84 149 67 69 183 0.870 29.09 342.8 72 99 87 97 220 48.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5128 1562.4 7.4 scans 76% 73 m/z 0.093% 0.312% 4341 1.0 439 541577 21353361 19535930 3-2 20: 73 281 147 327 415 341 503 283 221 148 416 74 504 329 325 342 505 417 207 149 0.969 29.61 -150.7 79 99 96 99 503 72.2 2.705 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1022 ? Nicotyrine 29.6651 1568.1 10.4 scans 67% 158 m/z 0.023% 1.09% 4367 0.7 699 2177100 74565416 67887681 3-5 20: 158 157 177 130 159 116 117 89 156 63 90 77 131 105 78 104 143 142 103 62 0.838 29.68 355.5 78 99 91 99 158 391.2 31.286 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7596 1571.7 7.8 scans 51% 123 m/z (85) 0.17% 0.0805% 4383 1.0 211 288373 5511969 4995711 1-3 10: 123 135 124 107 95 109 153 193 165 137 0.942 29.77 357.7 76 98 96 98 193 16.9 0.641 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9361 1578.3 8.2 scans 66% 71 m/z 0.19% 0.159% 4413 0.9 295 258979 10891910 10210715 1-2 16: 71 57 85 43 99 113 69 84 127 70 155 56 169 112 86 126 0.901 29.94 361.9 73 95 88 93 254 8.7 0.087 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3204 1592.8 7.8 scans 40% 57 m/z (150 153) 0.70% 0.0383% 4478 1.3 154 71436 0.0571% 2620739 2446871 3905548 1-0 19: 57 71 43 85 41 56 212 55 70 99 113 69 42 98 127 112 72 86 83 0.968 30.38 -2.1 87 93 93 92 212 21.2 1.901 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5057 1600.3 8.1 scans 87% 191 m/z 0.017% 0.800% 4509 0.8 679 2847658 54753891 49773308 2-4 20: 191 206 192 57 163 74 91 175 41 115 107 73 77 88 207 128 161 133 121 117 0.988 30.50 375.5 80 100 99 100 206 181.4 7.131 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8180 1613.4 8.9 scans 26% 124 m/z (71) 1.4% 0.0197% 4562 1.0 100 34766 1349039 1279603 4-2 5: 124 137 180 168 138 0.959 30.81 384.0 70 92 82 92 180 27.0 7.345 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8712 1615.7 9.3 scans 53% 162 m/z (124) 0.31% 0.101% 4571 1.0 223 158319 6949060 6677905 1-2 18: 162 147 161 91 77 163 133 115 51 131 145 103 79 50 65 63 93 120 0.760 30.88 -0.3 85 90 62 89 204 41.4 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9408 1618.6 8.6 scans 14% 171 m/z (144) 1.9% 0.00941% 4583 1.4 67 26498 644123 586962 3-5 3: 171 172 156 0.862 30.93 0.6 90 95 79 96 171 43.2 41.035 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2000 1629.5 9.4 scans 58% 111 m/z 0.19% 0.149% 4627 0.9 280 264741 10241237 9457764 2-2 20: 111 109 137 67 180 43 110 124 152 95 94 41 39 79 77 81 112 165 65 93 0.826 31.18 394.5 77 98 81 98 180 65.5 5.467 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5193 1642.9 10.5 scans 61% 43 m/z (157) 0.54% 0.0720% 4681 1.2 175 93551 4929074 4564707 2-1 20: 43 98 111 166 55 127 71 82 85 57 41 68 167 99 122 105 83 107 39 58 0.972 31.52 0.2 95 98 97 98 166 32.6 3.485 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9202 1659.7 7.9 scans 48% 83 m/z (143) 0.72% 0.0425% 4749 0.8 154 70173 2910261 2730565 2-1 7: 83 82 55 210 126 54 155 0.959 31.92 0.0 72 75 86 78 219 2.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0495 1665.2 6.7 scans 50% 221 m/z 0.28% 0.0804% 4771 0.9 235 179740 5501983 5189861 2-1 20: 221 73 147 222 207 295 341 355 281 296 325 148 74 356 342 208 297 149 343 205 0.865 32.08 -1.2 96 97 92 98 355 39.6 2.840 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2336 1672.9 8.4 scans 72% 57 m/z (157) 0.38% 0.121% 4802 1.1 248 131007 8276454 7498715 2-3 19: 57 149 105 77 100 43 71 123 41 85 137 51 150 106 99 113 92 70 183 0.975 32.24 -0.2 62 63 70 70 226 6.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4385 1681.5 8.1 scans 66% 57 m/z (145) 0.38% 0.0950% 4836 1.0 225 131818 6500988 6011472 1-2 18: 57 71 85 56 43 41 197 55 196 99 113 70 83 141 42 97 198 100 0.972 32.44 -0.2 94 97 96 97 226 8.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6823 1691.8 8.4 scans 80% 205 m/z 0.53% 0.234% 4878 0.9 367 95226 16051716 15137295 3-2 20: 205 105 91 119 43 93 159 79 107 147 162 77 41 187 106 131 121 123 67 69 0.954 32.67 0.3 96 97 93 97 220 22.1 0.362 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8789 1700.0 >10 scans 38% TIC 0.62% 0.0627% 4911 0.0 190 80710 0.118% 4292041 4110532 8071010 2-0 0.688 32.87 0.5 68 77 66 83 186 6.6 0.119 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9261 1702.0 18.7 scans 61% TIC 0.12% 0.130% 4919 0.9 255 417869 0.196% 8894037 8308022 13406085 0-7 0.963 32.93 -0.3 95 93 87 99 243 35.2 1.899 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0902 1708.9 7.7 scans 37% 83 m/z (187) 2.4% 0.0281% 4947 1.2 127 20619 1922777 1889191 0-2 20: 83 55 97 70 41 56 43 111 110 85 112 98 71 42 68 67 125 54 126 129 0.807 33.09 0.2 83 93 88 97 224 6.1 0.230 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.5 scans 79% 57 m/z (165) 0.16% 0.198% 4984 0.7 330 308514 13582381 12767169 2-1 17: 57 71 43 85 41 55 56 99 70 113 84 42 226 98 112 58 72 0.974 33.37 -2.7 94 98 97 99 226 36.0 1.190 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2732 1733.7 7.6 scans 37% 57 m/z (91) 1.0% 0.0297% 5147 1.0 135 46507 2038131 1978550 1-0 19: 57 71 43 85 41 98 211 210 182 162 119 39 70 106 202 97 212 79 127 0.759 34.27 0.1 80 87 86 96 211 21.3 2.482 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3889 1735.3 18.6 scans 78% TIC 0.010% 5.76% 5167 0.6 1374 5053966 6.99% 393986576 380777310 478104770 2-0 0.885 34.39 452.3 80 99 82 99 415 179.9 1.716 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9149 1742.9 8.3 scans 2.9% 68 m/z 0.81% 0.0469% 5256 1.2 159 62256 3212479 2938133 2-5 2: 68 224 0.693 34.90 0.2 77 88 76 87 224 23.0 2.080 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 35.0773 1745.2 >20 scans 92% 91 m/z 0.010% 4.94% 5284 0.1 1138 4765150 338428703 319143057 1-2 20: 91 155 90 65 184 44 120 63 106 77 39 134 51 78 154 107 62 42 41 50 0.993 34.79 456.2 80 100 99 99 199 327.0 8.254 0.291 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3689 1749.3 8.4 scans 59% 57 m/z (58) 0.66% 0.117% 5333 0.8 246 76452 8017856 7440705 3-1 20: 57 55 69 43 81 56 95 70 41 126 85 111 82 83 96 67 137 109 72 98 0.981 35.35 451.9 73 95 97 98 196 15.0 0.373 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7119 1754.3 8.0 scans 27% 195 m/z (113) 1.3% 0.0252% 5391 1.0 116 37106 1726246 1596892 2-4 11: 195 209 210 165 166 181 224 167 211 178 196 0.888 35.70 451.6 67 92 74 92 224 13.5 1.346 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4840 1765.3 6.8 scans 40% 221 m/z 0.36% 0.0802% 5522 1.0 228 137944 0.0982% 5488935 4973377 6716722 1-4 20: 221 73 147 295 207 281 222 369 296 341 223 148 74 327 282 297 370 208 355 326 0.960 36.58 448.8 78 98 92 98 369 35.0 2.354 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 37.0431 1773.3 9.3 scans 57% TIC 0.66% 0.0434% 5617 1.1 186 76178 2973908 2684382 2-1 0.929 33.90 45.0 65 71 79 82 197 13.7 0.543 3.147 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2048 1775.6 8.3 scans 18% 209 m/z (155) 1.7% 0.0147% 5644 1.2 89 29317 1006299 922761 2-2 9: 209 224 181 210 165 167 225 103 179 0.776 37.20 449.3 71 95 81 97 224 26.2 8.729 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3075 1777.1 10.1 scans 50% 71 m/z (179) 0.84% 0.0673% 5662 1.2 168 59626 4603700 4088489 1-2 20: 71 85 57 43 84 99 55 113 225 69 224 127 56 111 86 211 97 155 67 126 0.906 38.91 -22.9 79 87 91 86 254 3.8 0.000 -1.602 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 7.6 scans 59% 57 m/z 0.31% 0.0796% 5788 1.1 232 159178 5448971 5206135 2-1 18: 57 71 85 43 56 225 41 99 55 224 113 127 70 141 155 98 226 42 0.888 38.06 448.1 76 97 86 96 225 46.3 3.967 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5761 1795.2 18.5 scans 88% TIC 0.014% 6.01% 5876 0.8 1412 3533362 7.28% 411559273 402756852 497940305 1-0 0.996 38.59 447.1 80 99 97 99 429 422.0 8.938 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.7662 1906.2 7.4 scans 89% 68 m/z 0.11% 0.564% 6078 0.8 604 436271 38620429 35287857 2-2 20: 68 95 82 123 69 57 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.993 39.94 537.1 79 98 98 98 278 29.7 0.242 -0.170 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8891 1921.4 7.9 scans 64% 43 m/z 0.52% 0.0787% 6098 1.0 229 95849 5389410 4835356 1-4 20: 43 58 71 59 57 55 85 109 95 110 69 41 124 56 83 70 250 81 82 113 0.916 39.88 553.1 77 98 92 96 250 23.9 1.089 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3106 1973.6 7.8 scans 64% 149 m/z 0.075% 0.124% 6170 0.9 274 667835 8538387 7765693 6-3 19: 149 57 150 223 104 76 167 56 65 93 121 132 105 39 122 50 148 224 151 0.877 40.31 598.7 79 99 88 99 223 58.7 4.600 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN N406_R~1-N1110 ? Phytol 40.3867 1983.1 >8 scans 7.5% TIC 2.6% 0.00120% 6183 1.5 58 19431 0.00348% 82205 82205 238026 0-0 0.246 40.66 -34.1 72 82 17 77 278 15.2 0.000 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6051 2010.2 7.2 scans 54% 221 m/z (104) 0.89% 0.0337% 6220 1.1 145 56365 2307957 2167679 1-3 18: 221 73 147 295 207 281 222 369 223 296 282 148 355 279 297 401 341 251 0.929 40.63 630.1 75 99 96 99 369 23.2 2.550 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1254 Phytol 40.8466 2040.1 7.7 scans 67% 81 m/z (184) 1.0% 0.0746% 6261 1.1 204 48111 5109031 4632599 2-4 16: 81 82 95 68 123 43 79 69 83 67 41 96 97 124 109 278 0.964 40.87 -2.6 91 94 97 98 278 22.9 1.257 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BQLD_R~1-N1056 ?? Homosalate 40.9947 2058.5 7.9 scans 11% 138 m/z 3.4% 0.00545% 6286 1.0 62 14585 372860 347882 1-2 10: 138 120 109 121 124 82 139 140 65 182 0.488 41.00 672.7 68 96 54 94 262 10.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2362 2088.4 7.7 scans 41% 79 m/z (195) 2.7% 0.0267% 6327 1.1 124 18340 1827746 1708026 1-2 10: 79 67 93 121 80 108 68 91 107 54 0.821 41.26 -2.6 82 89 82 91 264 7.6 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4717 2117.6 >4 scans 79% 101 m/z 0.73% 0.0537% 6366 999.0 263 69149 0.169% 3675514 3675514 11559328 0-0 7: 101 263 174 168 68 197 225 0.945 41.49 -79.0 85 99 94 99 276 15.6 0.352 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8277 2138.3 8.3 scans 40% 57 m/z (95) 2.2% 0.0264% 6427 1.4 114 22654 0.0287% 1806721 1655232 1963034 1-0 20: 57 71 84 125 85 126 97 55 41 253 69 98 99 111 93 56 127 113 67 136 0.853 41.48 19.3 60 72 77 72 268 2.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9989 2148.0 8.1 scans 85% 74 m/z (267) 0.11% 0.262% 6456 1.1 380 431941 17948321 16883736 1-4 20: 74 87 43 55 75 143 41 227 69 270 129 59 239 83 185 101 88 97 171 199 0.967 42.01 746.0 78 100 98 100 272 9.2 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3094 2165.4 9.6 scans 94% 73 m/z 0.028% 1.50% 6509 1.0 841 1774463 103093928 97685389 2-4 20: 73 147 221 355 429 207 282 222 430 356 415 295 431 505 461 325 401 343 75 208 0.992 42.37 756.4 74 90 94 99 503 134.1 2.544 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.1500 2212.6 9.4 scans 26% 57 m/z (98) 1.7% 0.0181% 6651 1.0 90 29739 1241868 1121771 3-2 19: 57 71 43 85 56 253 252 99 113 42 141 72 155 254 127 225 166 139 125 0.551 43.94 -44.1 68 82 67 79 282 1.8 0.000 -0.786 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2734 2219.5 10.7 scans 18% 263 m/z (98) 4.1% 0.00810% 6672 1.8 53 12196 554164 462028 3-5 14: 263 264 141 78 77 219 187 117 153 91 131 145 203 179 0.467 43.31 -1.9 84 94 45 90 278 14.9 7.843 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3018 2277.7 6.8 scans 38% 221 m/z 2.4% 0.00859% 6846 1.1 78 20517 587630 552797 1-5 20: 221 73 147 295 222 296 281 207 369 223 355 265 282 370 267 74 341 208 371 356 0.777 44.32 830.4 71 98 78 96 369 15.3 3.850 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7882 2363.3 8.3 scans 78% TIC 0.41% 0.0680% 7098 1.3 202 122035 4655724 4423693 2-1 0.930 45.78 0.7 98 98 90 98 503 17.7 0.762 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9122 2370.4 7.9 scans 65% 74 m/z 0.48% 0.0521% 7119 1.3 176 103779 3563652 3413723 1-5 17: 74 87 43 143 75 255 55 69 41 298 199 88 59 101 129 213 200 0.847 45.92 891.7 77 98 84 96 298 28.7 2.666 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1011 2381.3 8.0 scans 64% 79 m/z (74) 1.5% 0.0340% 7151 0.9 136 32987 2331791 2120855 2-5 18: 79 67 95 108 80 81 94 41 91 107 93 121 135 59 77 87 96 136 0.919 46.13 -1.9 91 96 90 95 292 9.1 0.452 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN HCMIX_~1-N1022 ? Henicosane 46.1837 2386.0 8.2 scans 30% 57 m/z (74) 3.8% 0.00780% 7165 1.4 59 13049 0.00869% 534064 461752 594382 2-2 11: 57 71 85 43 113 99 141 127 56 126 42 0.857 46.28 -5.7 70 78 68 74 296 5.6 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7617 2419.3 8.0 scans 42% 74 m/z (213) 2.5% 0.0107% 7263 0.9 75 19655 738063 675125 3-6 10: 74 87 75 298 255 299 143 199 129 101 0.845 46.76 924.2 72 96 82 94 298 14.1 3.490 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9412 2544.8 7.9 scans 63% 73 m/z (56) 2.1% 0.0129% 7632 1.1 85 23653 887480 832469 2-1 20: 73 147 355 429 281 221 356 430 357 341 432 431 415 207 282 222 401 295 342 358 0.846 48.95 994.4 72 97 87 99 429 23.1 7.382 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3544 2626.1 8.5 scans 48% TIC 4.2% 0.00593% 7871 1.7 57 11864 406224 361712 1-4 0.740 50.36 1039.1 63 85 67 83 326 12.2 4.529 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BLab_REP1.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8580 2712.6 7.8 scans 45% 73 m/z 3.5% 0.00551% 8126 1.1 57 14334 376994 336616 2-3 19: 73 147 221 355 429 357 222 503 341 430 295 282 431 415 149 74 356 148 504 0.670 51.86 1081.7 69 92 64 89 503 9.7 2.876 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0844 770.6 11.9 scans 59% 77 m/z 0.17% 0.0711% 33 3.1 151 253903 4145634 3911253 1-2 20: 77 55 45 78 84 79 62 76 59 56 47 63 83 75 46 53 85 86 39 61 0.768 4.37 16.6 97 100 93 99 77 132.7 77.584 -0.287 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.2043 825.8 11.1 scans 54% 57 m/z (53) 0.77% 0.0297% 393 0.4 88 56033 1736084 1212909 1-11 16: 57 41 39 45 59 58 87 69 102 55 42 86 70 38 51 85 0.883 6.03 -135.8 73 96 89 99 102 10.1 1.292 0.171 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5862 835.7 17.4 scans 74% 207 m/z 0.53% 0.0375% 457 2.6 99 81187 2185079 1981802 2-2 20: 207 208 209 96 177 133 163 193 191 210 147 119 192 165 103 161 89 178 88 189 0.887 6.53 -141.1 80 100 88 99 207 75.1 57.506 0.058 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1042 ?? Nonane 6.7492 840.0 6.2 scans 19% 85 m/z (40) 8.1% 0.00296% 485 1.1 41 5346 172827 156980 1-6 5: 85 43 71 70 84 0.872 9.06 -60.0 66 85 82 83 128 4.2 0.000 -2.308 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6819 864.3 8.5 scans 92% 69 m/z 0.25% 0.252% 643 2.0 315 168932 14739210 12700086 2-4 20: 69 41 55 83 39 42 57 98 70 43 56 97 80 53 54 40 79 68 51 38 0.992 7.71 9.0 100 99 98 100 98 63.3 4.045 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2345 982.8 10.0 scans 41% 281 m/z 0.52% 0.0398% 1414 2.2 114 82525 2323668 2119780 2-2 20: 281 43 282 283 71 69 99 191 134 203 163 133 265 205 39 179 207 177 83 73 0.547 12.22 36.5 92 98 73 99 281 75.7 44.216 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6767 994.3 9.7 scans 82% 81 m/z 0.21% 0.106% 1489 1.8 196 201063 6212178 5707982 10-2 19: 81 110 53 79 39 68 67 41 77 65 51 82 95 50 40 66 54 109 91 0.955 13.22 30.7 95 96 93 99 110 58.3 8.823 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1040 Decane 12.8125 997.8 7.1 scans 62% 57 m/z (111) 0.88% 0.0278% 1512 1.1 120 49154 1622423 1503521 1-2 18: 57 43 71 85 41 56 70 99 142 55 84 42 98 113 69 143 58 72 0.985 12.90 -2.2 97 99 97 99 142 17.3 2.073 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9317 1001.0 8.5 scans 51% TIC 3.6% 0.00834% 1532 1.2 86 11970 485966 452909 1-0 0.863 12.96 -173.8 67 94 84 93 110 8.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1070 1032.8 21.0 scans 38% 79 m/z 3.1% 0.0144% 1731 2.0 59 13734 842374 799153 1-1 8: 79 108 107 77 78 97 95 74 0.791 14.11 53.8 86 96 75 95 108 30.3 26.579 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4518 1042.2 9.7 scans 93% 91 m/z 0.043% 0.410% 1790 1.6 380 1001544 23921895 21394183 2-5 20: 91 92 120 65 63 39 89 51 62 50 121 90 93 64 66 74 52 86 61 41 0.993 14.44 57.4 91 100 99 100 120 123.9 10.601 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1797 1061.9 >11 scans 86% 105 m/z 0.10% 0.204% 1913 0.9 279 398041 11907133 11126495 3-0 20: 105 77 123 46 51 106 50 74 78 76 79 52 75 124 37 64 47 67 38 63 0.986 15.17 64.5 89 100 98 100 123 100.8 13.030 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN 98-86-2 ? Acetophenone 15.2848 1064.7 9.4 scans 86% 105 m/z 0.022% 0.894% 1931 0.9 616 1903916 52117491 46175796 2-5 20: 105 77 120 51 106 50 78 43 74 121 76 63 75 39 52 65 91 62 38 49 0.997 15.29 -181.0 79 98 98 99 120 216.9 12.404 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4341 1068.8 9.3 scans 60% 95 m/z 0.14% 0.185% 1956 1.4 272 293215 10833893 9815249 2-3 18: 95 81 124 79 43 109 53 39 82 65 96 66 67 125 80 123 52 54 0.935 15.43 67.1 84 96 91 97 124 81.4 8.937 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1002 Undecane 16.5941 1100.3 8.6 scans 58% 57 m/z (103) 0.75% 0.0460% 2153 1.0 144 57223 0.0492% 2683839 2609823 2866582 0-2 15: 57 71 85 84 55 113 127 56 112 69 99 70 93 98 96 0.902 16.59 0.3 80 85 87 86 156 3.4 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7824 1108.3 8.6 scans 79% 57 m/z (267) 0.28% 0.205% 2185 1.4 279 154644 11992349 10431065 6-5 20: 57 41 56 55 98 44 70 43 82 69 68 81 96 95 67 39 42 54 114 83 0.991 16.82 85.9 76 94 95 94 124 14.1 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9654 1116.0 8.4 scans 42% 71 m/z (267) 1.4% 0.0235% 2216 1.4 101 30955 1373992 1275858 1-2 19: 71 95 119 110 128 43 58 85 41 69 121 84 55 52 42 72 57 70 62 0.751 16.97 91.3 75 97 92 99 128 24.0 5.646 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0782 1163.0 8.5 scans 71% 73 m/z 0.39% 0.0648% 2404 1.6 167 110023 3777515 3383826 3-2 20: 73 355 267 356 268 357 269 251 74 154 193 249 191 358 75 270 59 253 179 254 0.880 18.13 -168.7 79 99 85 99 355 73.1 19.119 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1018 Contamination 12.25min 18.3557 1174.7 8.4 scans 14% 281 m/z (144) 7.2% 0.00294% 2451 1.3 35 6007 171729 160905 1-1 6: 281 283 282 207 191 145 0.491 12.25 21.6 83 92 39 91 281 20.4 33.952 6.105 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN M4942-N1002 ? Pyranone 18.3746 1175.5 9.5 scans 21% 144 m/z (281) 6.1% 0.00515% 2454 1.1 43 7073 300547 257197 2-6 7: 144 101 44 72 191 45 193 0.560 20.04 -215.0 71 97 68 96 144 22.2 26.433 -1.667 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7099 1189.7 7.6 scans 18% 126 m/z (64) 11% 0.00390% 2511 0.9 44 3640 227276 200656 0-1 17: 126 98 111 55 82 69 107 79 67 41 110 97 100 91 80 93 99 0.850 18.71 138.9 66 95 78 92 153 0.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8332 1194.9 >11 scans 65% TIC 1.8% 0.0329% 2532 0.9 125 23123 1920714 1860636 1-0 0.828 18.83 142.2 65 84 77 97 122 9.6 0.595 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1225 1207.1 9.9 scans 4.1% 81 m/z (107) 2.1% 0.00959% 2581 1.4 61 20100 558764 501627 2-0 2: 81 54 0.753 19.12 150.0 69 96 84 97 97 10.1 2.751 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7630 1234.2 11.1 scans 0.64% 119 m/z (57) 3.6% 0.00584% 2689 1.1 44 11986 340645 302819 2-2 3: 119 91 120 0.410 13.76 34.7 72 83 68 83 134 17.7 16.420 6.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8014 1235.8 10.7 scans 14% 57 m/z (82) 0.19% 0.156% 2696 1.7 231 226671 9139536 8653758 4-1 14: 57 45 75 72 100 89 56 59 58 131 44 132 62 90 0.866 19.81 168.3 70 97 83 94 144 6.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1266 Octanoic acid 20.1898 1252.2 >20 scans 90% 60 m/z (79) 0.061% 1.90% 2762 0.1 644 701271 110841811 101860002 1-3 20: 60 69 85 73 55 41 97 101 57 115 87 43 88 45 82 39 83 108 98 42 0.998 22.03 -56.9 84 92 93 99 175 0.0 0.000 -1.844 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3179 1257.6 8.3 scans 89% 57 m/z 0.087% 0.329% 2783 1.1 390 495827 19211714 17762311 2-3 20: 57 71 43 85 41 56 55 70 170 42 84 98 99 69 112 39 113 58 72 83 0.978 20.32 -0.1 100 99 97 99 170 52.5 1.809 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1034 ? Decanal 20.5298 1264.0 8.7 scans 70% 57 m/z 0.49% 0.148% 2819 1.1 251 88670 8673050 7572982 4-3 19: 57 41 43 55 70 82 71 68 83 44 56 81 112 67 69 96 42 84 39 0.958 20.57 -143.0 78 98 98 98 138 13.1 0.272 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.7713 1271.2 7.8 scans 55% 57 m/z 0.52% 0.0375% 2860 1.0 138 82585 2189007 1934060 2-2 17: 57 71 43 41 98 70 56 112 55 113 99 141 42 84 169 107 150 0.872 33.32 4.2 75 79 86 78 226 0.0 0.000 -12.548 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.0281 1279.0 9.9 scans 60% 94 m/z (137) 0.20% 0.102% 2903 1.1 191 212332 5959957 5392227 5-2 19: 94 138 77 95 66 51 65 107 45 139 78 103 50 40 62 52 64 38 74 0.976 20.98 194.0 76 97 95 99 152 6.2 0.000 0.045 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 21.1473 1282.5 >27 scans 31% 105 m/z (74) 1.6% 0.0310% 2924 1.8 74 26582 1809650 1809650 0-0 8: 105 129 122 106 123 152 73 79 0.937 20.03 211.8 71 94 89 94 122 41.0 30.756 1.118 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4472 1291.5 6.5 scans 6.4% 281 m/z 5.6% 0.00272% 2975 0.9 40 7727 158706 149213 3-1 9: 281 147 148 283 369 371 249 370 191 0.715 21.56 -147.2 73 97 64 95 369 11.7 8.557 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0110 1308.4 8.5 scans 85% TIC 0.041% 0.385% 3070 0.8 406 1054483 22473357 20185159 3-3 0.953 22.01 208.0 80 99 95 99 190 109.0 7.201 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 22.8498 1333.6 >6 scans 48% TIC 3.1% 0.00641% 3212 0.3 89 13828 373561 341317 1-0 0.868 16.82 42.2 68 79 74 78 124 9.3 1.092 6.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 22.9555 1336.8 7.6 scans 85% 71 m/z 0.14% 0.212% 3230 0.9 330 292181 12384478 11219607 2-2 19: 71 57 85 43 41 70 55 99 84 113 127 56 155 83 42 126 72 112 39 0.972 24.54 199.5 77 97 96 98 169 23.1 0.487 -1.586 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8440 1363.5 >11 scans 28% 71 m/z (104) 0.71% 0.0640% 3381 0.8 147 61168 3732410 3534478 1-0 18: 71 85 43 84 99 140 127 45 83 126 58 86 68 184 156 82 175 185 0.881 23.86 -0.5 82 88 84 88 184 14.2 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1016 ? Nicotine 24.0860 1371.5 >20 scans 57% 73 m/z 0.073% 0.858% 3422 0.1 475 593801 50022825 38192812 1-8 20: 73 60 57 115 55 129 41 43 69 98 87 61 45 56 42 83 39 101 74 70 0.847 25.35 222.3 73 95 77 97 162 0.0 0.000 -1.268 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 24.0860 1371.5 >20 scans 66% 73 m/z (341) 0.076% 1.17% 3422 0.1 512 566803 68303117 52149956 1-8 20: 73 60 57 115 55 129 41 43 69 98 87 61 45 56 42 83 39 101 74 70 0.973 22.70 -103.8 73 93 93 99 158 34.6 0.457 1.390 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1008 1372.0 7.3 scans 63% 341 m/z (43) 0.12% 0.217% 3424 1.0 333 343298 12692229 11710691 2-2 20: 341 429 342 325 147 343 430 431 326 207 344 432 148 251 191 311 327 193 345 295 0.959 24.17 -151.8 78 100 94 100 429 97.3 8.533 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7554 1393.8 9.1 scans 64% TIC 0.49% 0.0556% 3535 1.0 169 87838 3244463 3069550 1-2 0.824 24.70 254.2 72 95 85 97 170 6.7 0.000 0.059 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1032 ?? Dodecane 25.2330 1409.8 12.8 scans 34% 71 m/z 1.6% 0.0195% 3616 0.7 85 26999 1139895 1007232 2-2 14: 71 57 84 85 99 113 69 55 56 153 212 127 135 105 0.703 20.36 9.6 60 71 56 69 170 3.8 0.000 4.875 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2814 1411.4 7.2 scans 28% 43 m/z 0.91% 0.00797% 3624 0.7 75 47526 0.0105% 464448 464448 611771 0-0 15: 43 145 103 116 115 59 88 81 86 45 74 61 146 104 117 0.829 25.24 -148.5 71 98 86 96 145 29.7 15.769 0.039 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1004 Nicotine 25.6232 1422.8 >24 scans 95% TIC 0.0060% 14.6% 3682 0.2 1629 7161738 856136742 833226292 0-1 0.998 25.89 265.8 80 99 98 99 162 471.4 8.379 -0.269 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1080 ?? Solanone 25.8086 1429.0 7.4 scans 22% 93 m/z (159) 1.7% 0.0152% 3713 1.0 85 24549 889300 789691 3-2 8: 93 121 136 194 156 137 94 151 0.821 25.78 273.7 67 91 79 96 194 13.2 2.412 0.032 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5252 1453.0 7.5 scans 15% 355 m/z 3.7% 0.00432% 3835 1.1 49 11499 252155 247775 0-2 18: 355 73 267 401 356 163 268 357 251 154 402 152 281 269 75 489 165 74 0.583 18.09 411.4 66 94 75 96 355 23.1 22.444 8.433 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0955 1472.0 6.5 scans 51% 221 m/z 0.92% 0.0243% 3931 1.0 120 47044 1417916 1324471 2-2 20: 221 73 147 281 268 267 222 355 223 282 148 191 283 443 207 74 149 269 339 75 0.856 27.12 297.1 77 98 83 97 355 23.6 3.882 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1787 1474.8 7.7 scans 91% 57 m/z (125) 0.052% 0.604% 3945 1.0 530 833566 35222945 31318605 2-5 20: 57 71 43 85 41 55 56 70 99 69 84 42 198 98 113 112 83 127 39 72 0.989 27.21 -1.0 98 100 99 99 198 63.3 1.425 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8399 1499.5 8.0 scans 33% 71 m/z (118) 1.1% 0.0350% 4058 1.4 124 39155 2040331 1954914 1-2 17: 71 57 43 85 70 41 169 99 133 56 53 113 80 161 140 127 183 0.594 27.84 314.2 62 97 63 92 212 5.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9804 1504.8 14.4 scans 78% 118 m/z 0.16% 0.234% 4081 2.2 264 267345 13645230 13044612 1-2 19: 118 146 145 105 78 51 59 119 104 65 117 41 42 63 91 64 77 39 50 0.943 27.93 318.1 77 96 91 96 146 117.6 19.878 0.049 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3860 1520.0 8.5 scans 66% 80 m/z 0.25% 0.0640% 4150 1.0 174 170650 3733496 3403832 3-3 18: 80 171 104 53 91 170 172 78 77 105 81 65 51 103 39 79 168 63 0.937 28.39 326.6 77 97 90 96 171 78.4 20.269 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6593 1530.3 8.2 scans 81% TIC 0.099% 0.276% 4196 0.9 366 436041 0.298% 16130550 14125953 17362630 4-5 0.955 28.67 332.9 79 98 95 98 194 23.6 0.415 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0902 1546.5 8.0 scans 61% TIC 0.19% 0.154% 4269 1.2 289 217833 0.200% 8979297 8508695 11652772 1-0 0.760 29.09 342.8 70 98 73 93 220 40.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5176 1562.6 7.5 scans 76% 73 m/z 0.10% 0.288% 4342 1.0 386 426636 16802821 15965193 2-2 20: 73 281 147 327 282 415 341 503 283 328 221 399 148 504 416 74 329 325 342 207 0.970 29.61 -150.5 80 99 96 99 503 64.5 2.786 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1022 Nicotyrine 29.6747 1568.5 10.2 scans 78% 158 m/z 0.015% 1.73% 4368 0.6 820 2796905 101252968 92518469 3-3 20: 158 157 130 159 117 156 63 90 77 79 105 131 104 78 143 142 51 42 103 39 0.875 29.68 355.9 80 99 98 99 158 440.5 28.846 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7585 1571.6 7.6 scans 58% 123 m/z (151) 0.12% 0.106% 4382 1.1 228 352177 6228335 5754337 1-3 8: 123 135 124 107 95 109 165 193 0.935 29.77 357.6 76 99 96 99 193 18.4 0.653 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9397 1578.5 8.5 scans 79% TIC 0.14% 0.217% 4413 0.7 328 296926 0.298% 12693341 11103016 17362630 2-1 0.960 29.94 362.1 77 97 96 99 254 9.5 0.083 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3205 1592.8 7.9 scans 32% 57 m/z (153) 0.96% 0.0287% 4478 1.6 122 45258 0.0490% 1673583 1673583 2854929 0-0 20: 57 71 43 85 41 84 56 55 212 207 70 98 99 140 42 69 112 86 141 151 0.908 30.38 -2.1 80 87 89 91 212 16.3 1.796 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5058 1600.3 8.1 scans 88% 191 m/z 0.020% 0.697% 4509 0.9 582 2131699 40651197 38167501 2-3 20: 191 206 192 57 163 74 41 175 91 115 107 207 77 88 73 147 128 161 133 105 0.985 30.50 375.5 80 100 98 100 206 155.9 7.174 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8169 1613.4 8.7 scans 30% 124 m/z (71) 1.1% 0.0259% 4562 1.0 105 38922 1511576 1394811 3-3 5: 124 137 180 168 138 0.966 30.81 384.0 68 90 80 92 180 28.5 7.397 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8713 1615.7 9.1 scans 54% 162 m/z (207) 0.33% 0.116% 4571 1.1 215 129706 6788499 6372713 2-4 19: 162 147 161 91 77 163 51 145 79 103 65 115 131 117 63 118 149 132 89 0.739 30.88 -0.3 90 93 65 93 204 38.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9415 1618.6 8.1 scans 30% 171 m/z (71) 0.79% 0.0241% 4583 1.0 104 54751 1408541 1308781 3-5 5: 171 172 130 173 174 0.889 30.93 0.6 93 95 81 97 171 61.6 35.440 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2012 1629.5 9.4 scans 61% 111 m/z 0.14% 0.214% 4627 0.9 305 307334 12501988 11273129 7-2 20: 111 109 137 67 43 180 110 124 152 95 41 79 112 77 39 81 94 93 53 65 0.860 31.18 394.5 77 98 84 98 180 70.3 5.310 0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5171 1642.8 9.0 scans 71% 43 m/z (105) 0.28% 0.109% 4681 0.9 215 151375 6351498 6126995 1-1 19: 43 98 111 166 55 151 82 127 41 68 83 85 67 39 123 107 81 109 59 0.978 31.52 0.1 97 100 98 99 166 43.5 4.098 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7981 1654.6 8.2 scans 8.5% 193 m/z (85) 5.7% 0.00541% 4728 1.0 50 7586 315603 294409 0-2 9: 193 151 166 109 194 107 121 94 120 0.515 31.80 0.1 64 78 27 88 208 8.4 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9221 1659.8 7.7 scans 52% 83 m/z (116) 0.53% 0.0570% 4749 0.9 164 81728 3321432 3062796 3-1 6: 83 82 55 67 54 211 0.958 31.92 0.1 70 73 84 78 219 2.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0572 1665.5 6.7 scans 36% 221 m/z (136) 0.55% 0.0441% 4772 1.0 157 78089 2572820 2448593 2-3 19: 221 73 147 295 222 207 341 355 223 296 325 148 74 267 342 356 283 357 208 0.756 32.08 -0.9 94 98 91 99 355 26.9 2.932 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4374 1681.5 8.0 scans 70% 57 m/z (98) 0.26% 0.137% 4836 1.0 249 162509 7994862 7381270 1-2 19: 57 71 85 56 43 41 197 55 196 99 113 70 127 141 97 82 160 168 83 0.919 32.44 -0.2 91 96 92 97 226 10.3 0.173 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6836 1691.8 8.5 scans 76% 205 m/z 0.47% 0.257% 4878 0.9 352 90766 15029465 14099836 2-1 20: 205 105 91 119 43 93 79 159 107 162 77 123 147 41 187 131 121 69 81 67 0.921 32.67 0.3 96 97 91 97 220 21.5 0.375 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8642 1699.4 7.7 scans 33% 70 m/z (149) 0.36% 0.0630% 4909 1.1 173 119817 3675114 3427489 2-4 2: 70 195 0.818 32.87 -0.1 72 83 75 82 186 6.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9238 1701.9 >9 scans 59% TIC 0.14% 0.0849% 4919 1.2 218 296708 0.183% 4951164 4585267 10662286 0-2 0.958 32.93 -0.4 94 92 88 98 243 29.5 1.832 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0850 1708.7 7.5 scans 44% 83 m/z (158) 1.8% 0.0498% 4946 1.2 143 23919 2907239 2260599 7-8 20: 83 97 55 69 56 70 57 41 43 84 152 82 98 112 85 341 42 125 71 68 0.923 33.09 -0.0 81 80 95 99 224 5.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3087 1718.1 7.8 scans 77% 57 m/z (165) 0.16% 0.217% 4984 0.6 300 261687 12653321 12000548 2-1 18: 57 71 43 85 41 55 56 99 70 226 113 42 98 84 112 141 58 72 0.946 33.37 -2.7 94 98 95 98 226 30.5 1.038 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8896 1728.2 >9 scans 24% TIC 1.9% 0.00665% 5082 0.9 91 21810 0.0305% 387901 362912 1777048 0-1 0.605 33.90 -0.1 70 84 70 92 197 15.8 3.025 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2686 1733.6 7.7 scans 41% 57 m/z (173) 0.72% 0.0419% 5147 1.1 144 59823 0.0461% 2445426 2337878 2685964 1-5 16: 57 71 43 85 98 56 210 41 127 113 70 183 169 141 128 212 0.924 34.27 0.0 88 92 90 97 211 25.1 3.025 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3666 1735.0 9.3 scans 82% TIC 0.010% 3.62% 5163 0.7 1256 4095587 211455322 204535032 2-1 0.856 34.39 452.0 81 100 82 100 415 166.6 1.760 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8826 1742.4 19.9 scans 84% 91 m/z 0.017% 2.54% 5251 0.2 792 2491082 148250293 136731262 1-2 20: 91 199 90 65 184 89 92 120 44 137 77 39 64 156 109 51 134 78 185 121 0.996 34.79 453.4 80 99 98 99 199 225.0 8.069 0.097 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9044 1742.7 8.2 scans 24% 68 m/z (204) 0.47% 0.114% 5254 1.1 223 90791 6652473 6037365 2-3 3: 68 69 224 0.829 34.90 0.0 85 90 87 97 224 27.7 1.548 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1042 ?? Phytol 35.3454 1749.0 10.3 scans 38% 43 m/z (73) 1.0% 0.0628% 5329 0.9 147 42968 3662896 3345200 2-1 18: 43 56 69 81 70 41 111 80 67 127 72 98 42 97 123 68 59 135 0.711 35.35 451.6 66 97 78 97 196 11.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6937 1754.0 8.9 scans 20% 123 m/z 0.66% 0.0215% 5388 1.2 100 65487 1253050 1152060 2-2 12: 123 193 195 124 165 89 166 167 191 131 194 224 0.596 35.70 451.3 65 88 48 85 224 12.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5125 1765.7 7.2 scans 10% 221 m/z 0.42% 0.0550% 5526 1.0 173 102441 3208298 3081936 1-4 18: 221 73 147 295 281 369 341 296 327 223 282 148 370 74 297 355 325 356 0.747 36.58 449.2 63 87 71 86 369 31.2 3.273 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1990 1775.5 8.0 scans 14% 209 m/z (120) 1.8% 0.0134% 5643 1.1 78 24076 781924 711375 3-1 9: 209 224 181 210 193 165 179 178 103 0.707 37.20 449.2 70 97 80 97 224 25.5 10.785 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3076 1777.1 9.8 scans 54% 85 m/z (145) 0.69% 0.0855% 5661 1.3 178 62851 4982989 4515653 1-2 20: 85 57 71 43 55 84 41 224 225 99 69 113 127 56 97 155 111 210 141 100 0.942 38.91 -22.9 78 84 93 83 254 3.1 0.000 -1.602 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0568 1787.8 8.0 scans 67% TIC 0.24% 0.106% 5788 1.0 256 180219 6233496 5723185 2-1 0.932 38.06 448.1 78 99 93 98 225 49.1 3.687 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5621 1795.0 9.5 scans 92% 73 m/z 0.024% 1.68% 5874 1.1 827 1797253 98340786 92334338 2-3 20: 73 429 147 221 355 430 281 341 207 356 401 357 74 148 342 295 325 343 283 327 0.990 38.59 446.9 80 100 99 100 429 237.6 8.250 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4440 1866.2 7.9 scans 36% 74 m/z (175) 1.3% 0.0251% 6023 1.1 108 32045 1465034 1330774 3-2 15: 74 87 143 75 102 256 59 129 101 60 257 88 157 213 199 0.869 39.45 504.7 69 94 88 99 256 14.5 1.787 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.7711 1906.8 8.0 scans 93% 68 m/z 0.054% 1.34% 6079 0.8 815 794081 78100344 73212508 1-2 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 110 0.997 39.94 537.7 80 99 99 99 278 41.9 0.264 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8856 1921.0 7.6 scans 70% 58 m/z (249) 0.46% 0.113% 6098 1.0 237 93978 6604593 6216882 0-3 13: 58 43 71 59 109 95 110 124 81 123 56 250 125 0.978 39.88 552.7 76 100 99 99 250 23.8 1.008 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3053 1973.0 7.8 scans 60% 149 m/z 0.093% 0.101% 6169 1.1 226 463037 5934707 5732307 1-2 16: 149 150 223 104 56 167 205 76 65 132 93 121 50 105 122 224 0.881 40.31 598.1 79 99 88 99 223 48.2 4.554 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6076 2010.5 7.3 scans 61% TIC 0.47% 0.0456% 6220 1.2 180 91478 2660546 2298177 1-8 0.893 40.63 630.4 75 97 90 99 369 30.1 2.808 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BQLD_R~1-N1056 ? Homosalate 40.9936 2058.3 8.4 scans 55% 138 m/z 0.44% 0.0809% 6286 0.9 206 97312 4718914 4302607 1-2 18: 138 109 120 69 121 124 83 139 65 82 93 95 81 262 110 67 68 125 0.878 41.00 672.5 79 100 94 100 262 26.8 1.692 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2380 2088.6 8.5 scans 70% 79 m/z 0.35% 0.144% 6327 1.0 266 120939 8406963 8060430 1-2 20: 79 67 93 95 80 108 55 91 41 81 121 94 77 107 59 78 87 69 122 66 0.861 41.26 -2.4 98 99 87 98 264 19.1 0.516 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4382 2113.4 8.3 scans 71% 205 m/z 0.37% 0.203% 6361 0.8 314 117211 11832681 10868953 3-2 20: 205 217 175 57 189 220 177 55 232 41 91 261 191 203 161 192 109 206 77 115 0.889 41.49 -83.2 84 100 90 99 276 21.7 0.479 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8337 2138.7 8.1 scans 44% 71 m/z (110) 1.7% 0.0303% 6428 1.2 117 24584 1769964 1637044 1-6 19: 71 70 84 43 85 55 126 41 97 98 183 69 83 99 111 81 125 113 96 0.917 41.48 19.7 65 72 84 76 268 0.0 0.000 0.351 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0155 2148.9 8.4 scans 94% 74 m/z 0.017% 1.84% 6459 0.6 927 2540591 107613888 100486609 2-3 20: 74 87 43 143 55 75 41 57 69 83 129 239 59 97 185 101 199 171 241 56 0.992 42.01 746.9 80 100 99 100 272 22.1 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3408 2167.2 8.0 scans 80% TIC 0.17% 0.155% 6514 1.0 286 246427 9037098 8153193 3-3 0.951 42.37 758.2 76 95 95 99 503 46.3 2.622 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8473 2251.7 8.5 scans 49% 71 m/z (205) 1.5% 0.0315% 6769 1.2 115 28455 1837822 1647319 2-2 18: 71 85 43 127 126 55 41 267 99 83 113 268 70 141 56 86 97 155 0.915 43.94 -5.0 62 65 84 82 282 5.1 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7954 2363.7 8.5 scans 73% TIC 0.42% 0.0734% 7099 1.1 188 101396 4278210 3973668 2-1 0.937 45.78 1.1 98 98 91 98 503 16.8 0.795 0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1026 Methyl stearate 45.9176 2370.7 8.0 scans 85% 74 m/z 0.060% 0.525% 7120 1.1 500 721001 30646483 27653946 2-5 20: 74 87 43 143 75 255 55 57 41 69 298 83 97 59 101 88 71 56 185 213 0.975 45.92 892.0 80 100 98 99 298 80.2 2.570 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1053 2381.5 8.0 scans 87% 79 m/z (84) 0.13% 0.450% 7152 1.0 454 317437 26244264 24891602 1-5 19: 79 67 95 93 108 80 81 91 55 41 107 94 77 121 78 135 149 109 122 0.988 46.13 -1.7 94 95 97 99 292 33.1 0.532 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7612 2419.3 8.0 scans 80% TIC 0.28% 0.100% 7263 0.9 222 152528 5875836 5307740 4-5 0.911 46.76 924.2 79 99 92 99 298 39.4 3.137 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BQLD_R~1-N1052 Dodecyl p-hydroxybenzoate 47.5003 2461.8 7.8 scans 86% 138 m/z 0.27% 0.123% 7388 1.1 249 159539 7215950 6858037 2-3 20: 138 120 121 57 43 139 55 71 41 69 70 111 56 85 65 93 92 306 83 98 0.963 47.50 949.0 80 100 96 99 168 29.7 1.425 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9354 2544.4 7.8 scans 77% 73 m/z 0.63% 0.0483% 7631 1.1 153 68537 2815530 2608091 2-4 20: 73 147 355 221 429 281 356 207 148 295 431 282 223 327 74 402 430 208 358 415 0.892 48.95 994.0 74 94 92 99 429 39.7 6.768 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3557 2626.1 7.8 scans 77% 74 m/z 0.56% 0.0549% 7872 1.1 165 77024 3200868 2967739 2-4 20: 74 87 43 326 75 143 55 57 41 69 283 83 97 88 59 129 71 84 56 327 0.886 50.36 1039.1 77 99 89 97 326 31.8 3.734 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8303 2653.4 7.6 scans 26% 221 m/z (74) 11% 0.00201% 7952 0.9 31 3787 117492 111554 1-2 10: 221 295 73 207 222 369 296 208 147 281 0.654 44.32 1206.1 68 97 67 93 369 8.7 7.586 6.510 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8498 2712.1 8.2 scans 69% 73 m/z 1.1% 0.0271% 8125 1.3 111 38328 1579207 1480929 2-4 19: 73 147 221 355 281 429 503 207 356 222 74 265 341 148 343 357 431 369 295 0.839 51.86 1081.2 77 99 85 98 503 15.9 2.056 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0984 771.0 6.1 scans 80% 77 m/z (55) 0.071% 0.113% 36 4.0 236 607102 0.126% 6725243 6377191 7485848 0-4 14: 77 45 78 79 62 76 59 75 63 47 46 92 58 64 0.992 4.37 17.0 99 100 99 100 77 200.4 72.334 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2284 826.4 11.2 scans 49% TIC 0.75% 0.0191% 397 0.3 84 57608 1137573 989516 1-9 0.791 6.03 -135.2 70 94 80 92 102 9.6 0.000 0.195 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5902 835.8 20.6 scans 71% 207 m/z 0.55% 0.0392% 458 3.0 94 78667 2334772 2093822 2-2 19: 207 209 191 96 133 193 177 119 149 192 147 161 210 115 211 165 88 134 104 0.855 6.53 -141.0 80 100 85 99 207 72.2 59.254 0.062 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6835 864.3 8.3 scans 92% 55 m/z 0.37% 0.164% 643 2.0 255 116807 9763770 8901046 1-4 20: 55 41 69 83 39 42 57 98 70 97 56 43 80 53 79 40 54 68 51 38 0.986 7.71 9.0 100 99 97 100 98 52.8 4.292 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2273 982.6 8.8 scans 64% 43 m/z (95) 0.60% 0.0517% 1413 1.9 131 71967 3076368 2594916 2-7 20: 43 282 108 283 41 71 69 133 55 249 111 284 191 39 56 67 93 68 72 192 0.827 12.22 36.3 88 94 51 99 281 69.0 27.949 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6765 994.3 9.2 scans 69% 81 m/z (281) 0.33% 0.0736% 1489 2.0 157 130457 4376022 3935784 2-3 18: 81 110 53 79 39 67 68 65 77 82 51 54 63 95 50 66 40 52 0.988 13.22 30.7 93 97 96 99 110 45.0 8.214 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1022 ?? Octanal 12.9321 1001.0 8.0 scans 54% 84 m/z (73) 4.8% 0.0136% 1532 1.6 74 8884 812689 742274 1-2 16: 84 56 57 41 44 55 69 82 68 42 67 100 85 110 70 66 0.921 12.96 -173.8 66 93 88 92 110 6.6 0.787 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1040 ? Decane 13.5065 1016.5 >9 scans 38% TIC 5.6% 0.00235% 1630 3.8 41 7710 139664 139664 0-0 0.789 12.90 16.5 70 79 67 78 142 1.9 0.000 0.609 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1016 Limonene 13.9068 1027.4 8.2 scans 63% 68 m/z (125) 1.0% 0.0429% 1697 1.3 133 39790 2549551 2268939 2-5 18: 68 93 67 91 79 121 94 39 92 53 136 107 82 77 41 80 51 95 0.745 13.89 52.1 86 99 91 98 136 24.0 3.273 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1051 1032.8 12.1 scans 43% 108 m/z (83) 3.6% 0.0121% 1731 1.6 58 11975 724215 674841 1-1 12: 108 79 107 105 63 70 91 50 68 51 90 52 0.829 14.11 53.8 85 98 86 99 108 26.9 21.240 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4534 1042.2 9.6 scans 93% 91 m/z 0.045% 0.379% 1790 1.5 365 959836 22555990 20411206 2-5 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 66 75 74 38 52 61 0.988 14.44 57.4 91 100 99 100 120 117.8 10.415 0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1825 1061.9 >11 scans 62% 105 m/z 0.10% 0.223% 1913 0.9 282 430719 13274345 11661672 3-1 19: 105 77 123 46 51 50 106 78 76 74 115 79 75 125 52 64 40 62 38 0.977 15.17 64.5 89 100 97 100 123 101.9 13.043 0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN 98-86-2 ? Acetophenone 15.2852 1064.7 10.1 scans 81% TIC 0.022% 0.920% 1931 1.0 596 1951450 54702635 50798671 1-3 0.958 15.29 -181.0 79 98 94 99 120 211.4 12.588 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4334 1068.7 8.7 scans 57% 95 m/z 0.23% 0.0945% 1956 1.3 204 186435 5619871 5020617 2-2 19: 95 81 124 79 43 109 53 82 39 65 66 96 67 125 80 123 52 63 54 0.911 15.43 67.0 84 96 88 97 124 64.0 9.793 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1002 Undecane 16.5946 1100.3 8.9 scans 49% 71 m/z (61) 0.88% 0.0525% 2153 0.8 136 49056 3121078 2699625 3-2 14: 71 57 85 41 70 55 84 127 69 56 113 126 170 93 0.852 16.59 0.3 84 93 88 93 156 10.9 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7829 1108.3 8.5 scans 69% 57 m/z (251) 0.48% 0.133% 2184 1.2 232 89292 7940738 7186378 7-4 19: 57 41 56 55 98 70 44 69 68 82 95 81 96 67 42 39 54 83 45 0.982 16.82 85.9 76 94 95 95 124 11.8 0.257 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9647 1116.0 8.8 scans 39% 71 m/z 1.2% 0.0183% 2216 1.2 93 34129 1091380 1015072 1-2 18: 71 95 110 58 128 126 85 41 55 113 69 42 66 72 57 70 97 107 0.772 16.97 91.3 74 97 83 96 128 23.4 6.290 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0627 1120.1 13.4 scans 13% 109 m/z (91) 5.9% 0.00374% 2232 1.5 34 7271 222613 222613 0-0 7: 109 92 93 122 68 111 104 0.787 17.05 94.1 62 87 72 87 122 10.3 9.192 0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0745 1162.8 9.3 scans 47% 355 m/z 0.66% 0.0399% 2403 1.2 122 64985 2371266 2079210 7-3 19: 355 267 73 356 357 268 269 251 193 191 358 249 324 250 252 359 163 75 323 0.626 18.13 -168.9 78 98 54 98 355 65.6 28.850 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.2439 1170.0 11.0 scans 36% 144 m/z 2.3% 0.0137% 2432 1.8 70 18639 817127 744693 1-3 11: 144 43 101 44 72 134 97 45 115 145 58 0.687 18.22 126.5 72 97 74 96 144 34.2 24.145 0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN M4942-N1002 ? Pyranone 18.2439 1170.0 11.0 scans 52% 144 m/z (133) 2.3% 0.0231% 2432 1.8 83 18781 1377857 1255716 1-3 11: 144 43 101 44 72 134 97 45 115 145 58 0.760 20.04 -220.5 72 97 90 97 144 34.1 16.727 -1.798 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3272 1173.5 8.8 scans 7.7% 281 m/z 9.0% 0.00127% 2446 1.2 23 4783 75672 67008 3-4 4: 281 99 191 282 0.712 12.25 20.4 76 87 38 85 281 17.8 58.961 6.076 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7079 1189.6 8.8 scans 9.8% 111 m/z (103) 8.5% 0.00631% 2510 1.1 50 5071 375288 307202 6-2 6: 111 98 126 107 110 96 0.726 18.71 138.8 62 94 69 92 153 0.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8384 1195.1 >12 scans 38% TIC 1.1% 0.0462% 2533 0.6 154 38545 2745235 2592331 2-0 0.876 18.83 142.4 68 87 89 97 122 8.0 0.268 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1024 ?? p-Cymene 19.7540 1233.8 10.5 scans 0.59% 91 m/z (134) 3.9% 0.00532% 2688 1.3 41 11073 316151 280392 5-2 5: 91 119 120 92 135 0.891 13.76 34.3 69 81 63 80 134 16.8 16.667 5.997 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8054 1236.0 9.1 scans 14% 57 m/z (95) 0.25% 0.145% 2697 1.4 222 172212 8669613 7325822 5-5 19: 57 45 75 72 89 100 132 87 59 58 44 131 71 62 77 90 46 33 63 0.957 19.81 168.5 74 97 93 99 144 4.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1266 Octanoic acid 20.2723 1255.7 >20 scans 86% 60 m/z 0.056% 1.66% 2776 0.1 649 766499 2.05% 98782474 94553913 121793551 1-0 20: 60 69 85 73 55 41 97 101 87 115 57 43 88 39 45 83 42 82 98 108 0.998 22.03 -53.4 85 90 92 98 175 0.0 0.000 -1.762 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3178 1257.6 8.3 scans 87% 57 m/z (60) 0.10% 0.273% 2783 1.3 348 407220 16263864 15227376 0-3 20: 57 71 43 85 41 56 70 170 55 84 42 98 99 113 39 127 58 72 69 112 0.994 20.32 -0.1 98 100 99 99 170 47.4 1.857 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1034 ? Decanal 20.5326 1264.1 >9 scans 63% TIC 0.79% 0.0486% 2820 1.4 190 54607 0.132% 2889038 2793130 7842316 0-1 0.933 20.57 -142.9 72 93 91 97 138 10.5 0.304 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 20.6047 1266.2 >30 scans 40% 122 m/z 1.1% 0.0433% 2832 1.4 86 38355 2576588 2370802 1-1 9: 122 105 77 51 106 94 52 75 124 0.852 20.03 195.5 72 94 82 93 122 47.0 29.976 0.576 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1024 ? Hexadecane 20.7717 1271.3 8.0 scans 49% 57 m/z 0.62% 0.0312% 2860 1.0 124 69491 1854004 1669464 2-2 18: 57 71 43 41 56 70 98 113 55 99 85 58 141 42 84 184 107 150 0.865 33.32 4.3 73 76 85 78 226 0.0 0.000 -12.547 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9860 1277.7 11.3 scans 44% 94 m/z (137) 0.31% 0.0705% 2897 1.4 151 136279 4191975 4019241 1-3 18: 94 138 77 66 65 51 78 63 45 50 52 64 76 40 38 62 74 82 0.938 20.98 192.7 77 99 98 99 152 6.7 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0120 1308.5 8.1 scans 83% 175 m/z 0.043% 0.321% 3070 1.0 388 1002840 19090381 17760146 3-3 20: 175 57 190 176 91 147 41 65 115 117 191 105 128 80 66 77 131 119 64 159 0.970 22.01 208.1 80 99 97 99 190 105.0 7.319 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9005 1335.1 8.4 scans 34% 109 m/z (96) 1.0% 0.0248% 3221 0.9 100 41441 1474100 1338019 3-3 2: 109 110 0.847 22.91 221.5 66 93 78 91 127 14.3 2.065 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.8863 1364.8 20.4 scans 83% 73 m/z 0.13% 0.589% 3388 0.1 377 321789 35041508 32037334 1-5 20: 73 60 57 129 115 41 55 43 69 98 61 101 87 39 83 70 42 74 97 116 0.943 22.70 -110.5 77 96 94 99 158 26.3 0.489 1.190 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.8863 1364.8 20.4 scans 85% 73 m/z (114) 0.14% 0.654% 3388 0.1 381 307991 38868619 35536339 1-5 20: 73 60 57 129 115 41 55 43 69 98 61 101 87 39 83 70 42 74 97 116 0.976 25.35 215.6 74 94 93 99 162 0.0 0.000 -1.468 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0941 1371.8 7.2 scans 76% 73 m/z 0.13% 0.188% 3423 1.0 314 323176 11214692 10608781 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 344 207 327 432 251 75 148 45 191 0.935 24.17 -152.0 80 99 92 99 429 95.6 9.285 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5540 1387.1 8.2 scans 79% TIC 0.33% 0.0923% 3501 1.0 209 128491 0.114% 5485804 4909441 6772910 0-4 0.922 24.54 249.8 77 98 92 97 169 24.0 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.5546 1387.1 7.9 scans 81% 71 m/z (125) 0.35% 0.100% 3501 1.1 211 122843 5959332 5466711 1-4 19: 71 57 85 43 41 84 70 113 127 55 99 56 155 42 112 72 169 98 141 0.972 23.86 23.1 79 82 93 83 184 0.0 0.000 0.693 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7311 1393.0 8.9 scans 61% 43 m/z 0.64% 0.0453% 3531 1.0 144 67168 2696269 2477338 2-1 20: 43 83 55 142 41 82 58 56 67 113 85 111 69 39 70 127 71 109 128 93 0.814 24.70 253.4 73 98 89 97 170 5.2 0.000 0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1032 ?? Dodecane 25.2116 1409.1 13.4 scans 43% 71 m/z (72 73) 1.6% 0.0304% 3612 0.8 92 25676 0.0368% 1809764 1672377 2186343 4-0 15: 71 57 85 155 41 43 169 99 70 127 113 42 69 126 98 0.845 20.36 8.9 61 73 73 75 170 4.5 0.000 4.854 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2760 1411.2 7.0 scans 23% 43 m/z 1.1% 0.00612% 3623 0.6 61 39241 0.00798% 363763 345733 474104 0-1 15: 43 145 103 115 147 116 86 73 61 119 44 74 96 117 93 0.758 25.24 -148.7 72 98 75 96 145 26.2 18.265 0.034 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1004 Nicotine 25.6130 1422.5 >25 scans 95% TIC 0.0058% 13.2% 3680 0.3 1520 7477624 784745161 765177366 0-1 0.999 25.89 265.5 80 99 98 99 162 429.1 7.970 -0.279 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0912 1471.9 6.5 scans 59% 221 m/z 0.72% 0.0314% 3931 0.9 135 59777 1869012 1764114 2-2 20: 221 73 147 281 222 267 355 148 223 282 357 356 283 443 149 191 74 269 205 444 0.882 27.12 297.0 77 98 86 97 355 26.3 3.770 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1815 1474.9 7.7 scans 92% 57 m/z (163) 0.044% 0.701% 3946 0.9 566 982212 41679361 37813513 2-5 20: 57 71 43 85 41 55 56 70 99 69 84 198 42 98 113 83 39 126 141 72 0.990 27.21 -0.9 99 100 99 100 198 69.4 1.503 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9850 1505.0 13.0 scans 76% 118 m/z 0.19% 0.186% 4082 1.9 238 228586 11065683 10406456 1-3 19: 118 146 145 105 78 51 119 77 64 104 91 65 117 42 41 63 39 50 103 0.944 27.93 318.3 77 96 91 96 146 107.0 20.165 0.054 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3870 1520.1 8.3 scans 64% 80 m/z (128) 0.36% 0.0488% 4150 1.0 146 120372 2904941 2755428 3-2 15: 80 171 104 53 78 172 170 77 91 65 103 51 63 154 168 0.943 28.39 326.7 75 98 92 97 171 65.4 20.078 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6603 1530.4 8.2 scans 82% TIC 0.095% 0.288% 4197 0.9 369 456880 0.321% 17142452 15409199 19071088 4-3 0.955 28.67 333.0 79 99 95 98 194 23.6 0.411 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0907 1546.5 8.2 scans 64% TIC 0.20% 0.150% 4269 1.2 281 211195 0.217% 8916658 8317884 12892293 2-0 0.803 29.09 342.8 69 93 73 92 220 35.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5139 1562.5 8.6 scans 85% TIC 0.083% 0.426% 4341 1.4 430 518787 25344030 23033482 2-1 0.965 29.61 -150.6 79 99 95 99 503 73.5 2.920 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1022 Nicotyrine 29.6757 1568.5 9.8 scans 77% 158 m/z 0.019% 1.31% 4369 0.5 717 2240325 77946218 73493941 2-3 20: 158 157 130 116 117 89 63 156 90 77 105 79 131 78 104 143 103 142 42 39 0.838 29.68 355.9 80 99 98 99 158 385.1 28.808 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7607 1571.7 7.7 scans 60% 123 m/z (85) 0.10% 0.128% 4383 1.0 245 410919 7663364 6937170 1-3 11: 123 135 124 107 95 109 147 79 165 93 193 0.971 29.77 357.7 78 99 99 99 193 19.8 0.652 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9390 1578.4 8.3 scans 79% 71 m/z (198) 0.11% 0.375% 4413 0.7 373 384296 22313410 18933882 2-6 20: 71 85 57 43 99 113 41 69 127 55 70 84 155 56 83 169 112 111 126 86 0.989 29.94 362.0 76 97 97 99 254 10.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.1668 1587.0 7.6 scans 53% 57 m/z (121) 0.57% 0.0686% 4452 1.1 184 76257 0.131% 4076545 4076545 7782905 0-0 20: 57 85 71 43 41 99 113 55 84 70 127 56 69 155 183 83 141 112 97 42 0.900 30.38 -7.9 79 81 92 84 212 0.0 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5139 1600.7 8.3 scans 90% TIC 0.016% 0.820% 4511 0.9 619 2567177 48772041 44829784 2-4 0.991 30.50 375.9 81 100 99 100 206 165.3 7.121 0.016 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8268 1613.8 9.1 scans 32% 124 m/z (162) 0.93% 0.0302% 4564 0.8 109 46522 1795013 1658441 2-6 6: 124 137 180 138 54 59 0.888 30.81 384.4 71 94 84 95 180 30.7 7.973 0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8817 1616.1 9.1 scans 65% 162 m/z (59) 0.27% 0.141% 4573 1.1 236 158587 8429463 7821388 2-3 19: 162 147 161 105 91 119 134 204 189 148 77 163 133 51 115 103 145 131 79 0.893 30.88 0.1 92 95 75 95 204 35.0 2.199 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9473 1618.9 8.2 scans 20% 171 m/z (71) 1.1% 0.0157% 4584 1.1 81 37517 934429 834043 3-4 5: 171 172 173 156 170 0.874 30.93 0.9 94 97 89 97 171 49.8 38.025 0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2141 1630.1 11.4 scans 67% TIC 0.12% 0.286% 4629 0.9 323 351379 17028593 15167991 3-1 0.844 31.18 395.1 76 97 80 98 180 74.4 5.298 0.036 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5181 1642.9 9.4 scans 67% 43 m/z (191) 0.40% 0.0904% 4681 1.0 186 108690 5376372 4895726 2-1 20: 43 98 111 166 55 85 71 151 57 127 82 68 41 83 123 39 81 67 107 69 0.968 31.52 0.2 96 98 97 99 166 35.6 3.642 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8097 1655.1 8.2 scans 14% 193 m/z (85) 4.0% 0.00787% 4730 0.9 59 10651 468080 401551 2-2 17: 193 147 81 208 122 59 93 109 121 91 175 161 107 135 79 194 119 0.681 31.80 0.6 65 75 39 89 208 9.9 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 7.8 scans 52% 83 m/z (122) 0.75% 0.0544% 4749 0.9 158 57719 3234591 2955222 3-1 8: 83 82 55 70 67 155 112 210 0.863 31.92 0.1 79 86 91 88 219 2.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0624 1665.7 6.7 scans 37% 221 m/z (123) 0.58% 0.0400% 4773 1.0 147 73863 2381840 2220287 2-2 20: 221 73 147 295 207 222 341 355 223 267 281 296 325 343 148 342 356 297 327 74 0.897 32.08 -0.7 94 99 93 99 355 25.7 3.079 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.3 scans 72% 149 m/z (112) 0.32% 0.139% 4802 1.0 247 134808 8281686 7909211 1-1 14: 149 57 105 77 100 123 41 56 137 51 106 150 183 92 0.961 32.24 -0.2 60 61 70 68 226 6.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4373 1681.5 8.5 scans 65% 57 m/z (159) 0.34% 0.111% 4837 0.9 213 126645 6606727 6041030 1-2 19: 57 71 85 56 43 41 197 55 196 99 113 168 70 141 160 198 83 42 97 0.958 32.44 -0.2 83 86 89 86 226 7.7 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6870 1692.0 8.8 scans 71% 205 m/z 0.56% 0.206% 4879 0.9 305 77493 12274463 11209824 3-2 20: 205 105 119 91 43 93 159 79 107 162 123 77 147 41 131 106 67 145 121 81 0.891 32.67 0.5 96 97 88 97 220 18.7 0.378 0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8611 1699.3 7.3 scans 34% 70 m/z (149) 0.46% 0.0517% 4908 1.3 153 93395 3072667 2720674 10-5 4: 70 195 224 201 0.881 32.87 -0.2 75 83 78 82 186 5.1 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.8 scans 44% 71 m/z (149) 0.19% 0.0706% 4920 0.6 169 227615 4198301 3736537 3-2 10: 71 43 159 72 155 173 143 243 89 73 0.878 32.93 -0.1 92 96 95 99 243 28.5 2.824 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0831 1708.6 7.6 scans 42% 83 m/z (179 159) 2.0% 0.0375% 4946 1.1 126 21256 2231964 1936394 3-4 18: 83 97 55 70 57 69 56 41 84 43 82 98 68 196 42 125 54 112 0.914 33.09 -0.1 86 93 95 98 224 7.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.6 scans 81% 57 m/z 0.10% 0.286% 4984 0.7 376 432301 17043400 16139307 3-1 20: 57 71 43 85 41 55 99 56 70 69 113 84 42 226 98 112 83 58 97 72 0.950 33.37 -2.7 95 97 93 95 226 43.5 1.333 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8877 1728.2 >9 scans 36% TIC 1.3% 0.0135% 5082 1.2 115 33211 0.0405% 806954 767545 2406165 0-1 0.685 33.90 -0.1 78 86 80 95 197 19.9 2.981 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2726 1733.7 7.4 scans 37% 57 m/z (173) 0.86% 0.0336% 5147 0.8 127 50522 1998631 1808841 1-1 16: 57 71 85 43 98 211 41 210 56 113 127 182 70 183 141 225 0.882 34.27 0.1 89 96 93 96 211 22.8 3.194 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3700 1735.1 8.9 scans 95% 355 m/z 0.010% 3.90% 5164 0.6 1300 4024836 232137119 218379508 2-2 20: 355 73 221 147 281 356 357 282 222 402 327 267 207 283 74 223 385 416 325 341 0.998 34.39 452.1 81 100 99 100 415 160.5 1.527 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8824 1742.4 19.0 scans 87% 91 m/z 0.018% 2.34% 5251 0.2 753 2345078 139186656 134093441 1-1 20: 91 155 199 90 65 184 92 44 89 120 137 63 106 77 39 64 51 134 107 109 0.993 34.79 453.4 80 99 98 99 199 215.7 8.207 0.096 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9066 1742.7 7.9 scans 29% 68 m/z (91 71) 0.66% 0.0747% 5255 0.9 181 65294 4438735 3986670 3-5 2: 68 224 0.869 34.90 0.0 82 83 93 96 224 23.1 1.627 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1042 ?? Phytol 35.3564 1749.2 9.3 scans 33% 69 m/z (210) 1.7% 0.0557% 5331 0.7 142 25539 3313588 2977533 4-1 20: 69 56 95 55 70 81 41 111 82 196 112 137 96 97 126 109 67 110 155 233 0.618 35.35 451.8 60 95 62 94 196 19.6 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6888 1753.9 9.7 scans 33% 43 m/z (147) 0.57% 0.0502% 5388 1.2 130 75387 2986815 2723177 1-2 20: 43 191 175 124 149 127 79 142 194 133 211 224 196 81 89 157 91 103 208 137 0.815 35.70 451.2 70 95 75 94 224 10.7 0.672 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2053 1775.6 8.4 scans 5.4% 209 m/z 2.5% 0.00417% 5644 0.9 48 17347 248212 246204 0-1 15: 209 224 181 165 210 179 167 183 225 103 178 115 166 133 193 0.586 37.20 449.3 67 92 48 89 224 20.8 19.223 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3010 1777.0 9.8 scans 60% 71 m/z (177) 0.56% 0.113% 5660 1.1 195 77442 0.153% 6738780 6152152 9089958 0-3 20: 71 85 57 43 99 113 84 127 41 69 55 70 169 56 142 155 126 141 72 42 0.951 38.91 -23.0 81 86 94 85 254 3.4 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0566 1787.8 8.2 scans 66% TIC 0.27% 0.0971% 5788 1.1 236 159726 5774294 5480409 1-1 0.921 38.06 448.1 77 98 92 97 225 46.1 3.814 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5643 1795.1 9.4 scans 93% 73 m/z 0.026% 1.53% 5874 1.1 795 1653916 91284966 86631039 2-2 20: 73 429 147 355 430 431 207 401 357 74 148 342 282 267 325 432 223 343 283 327 0.989 38.59 447.0 80 99 98 100 429 237.0 8.893 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8057 1798.5 10.6 scans 47% 71 m/z (162) 0.62% 0.0746% 5915 1.3 161 69828 4432941 3954253 1-2 20: 71 85 41 126 55 99 197 70 113 84 212 83 141 86 211 155 183 39 58 72 0.813 36.21 -52.4 66 84 84 84 240 15.7 0.952 2.595 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4427 1866.0 7.5 scans 41% 74 m/z 0.57% 0.0365% 6023 1.1 136 75124 2173509 2008586 2-3 14: 74 87 213 256 129 59 102 225 199 185 157 211 101 229 0.738 39.45 504.5 71 97 73 94 256 22.4 2.698 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.7703 1906.7 7.6 scans 93% 68 m/z 0.064% 1.07% 6079 0.8 738 672150 63868560 61248943 1-1 20: 68 95 82 123 69 57 55 43 81 83 67 41 71 96 109 124 79 56 70 85 0.996 39.94 537.6 80 99 99 99 278 39.1 0.280 -0.166 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8849 1920.9 8.0 scans 71% 43 m/z (249) 0.44% 0.127% 6098 1.1 234 97645 7589213 6784697 1-5 20: 43 58 71 59 55 85 57 109 110 95 41 69 124 56 83 81 123 250 70 96 0.979 39.88 552.6 77 100 99 99 250 24.0 1.046 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3075 1973.3 8.1 scans 53% 149 m/z 0.12% 0.0783% 6169 1.1 191 355920 4652854 4210019 2-3 13: 149 150 223 104 76 167 205 65 93 132 121 50 122 0.871 40.31 598.4 78 99 86 98 223 42.3 4.886 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6115 2011.0 6.8 scans 22% 221 m/z (150) 2.9% 0.00850% 6221 1.0 66 14801 505125 457021 2-4 15: 221 73 147 295 222 297 281 207 296 223 355 282 341 148 279 0.746 40.63 630.9 70 98 82 97 369 12.0 3.296 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1254 ? Phytol 40.8495 2040.5 >10 scans 32% TIC 3.1% 0.0108% 6261 0.0 93 13784 0.0190% 645459 620061 1128818 1-0 0.715 40.87 -2.2 79 84 64 85 278 12.2 1.694 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2438 2089.3 8.0 scans 82% 79 m/z 0.12% 0.445% 6328 0.9 451 356035 26486251 23783418 2-10 20: 79 67 93 95 80 91 108 55 81 41 121 77 94 107 135 87 59 78 105 122 0.927 41.26 -1.7 98 99 92 99 264 33.2 0.542 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4486 2114.7 8.0 scans 76% 205 m/z 0.27% 0.284% 6363 0.9 369 159656 16875734 15930745 2-2 20: 205 57 217 175 189 220 177 55 232 41 91 191 203 135 109 192 206 77 233 67 0.870 41.49 -81.9 84 100 92 99 276 24.6 0.444 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8276 2138.3 8.9 scans 36% 99 m/z (218) 1.5% 0.0274% 6427 1.1 108 27697 1632773 1625250 2-0 20: 99 98 107 254 239 113 127 121 140 124 79 154 135 91 100 195 253 168 153 86 0.701 41.48 19.3 67 82 79 80 268 0.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0496 2150.8 10.5 scans 96% 74 m/z 0.0099% 4.10% 6465 0.4 1242 4356477 244107268 236523686 2-1 20: 74 87 143 55 43 75 270 227 41 69 57 239 129 83 185 59 97 171 101 88 0.995 42.01 748.8 80 99 99 99 272 31.6 0.065 0.039 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3460 2167.4 8.0 scans 69% 73 m/z 0.29% 0.101% 6515 1.1 221 147905 6009934 5523041 2-3 20: 73 147 281 221 355 429 503 341 207 282 504 430 356 222 148 283 415 295 74 461 0.932 42.37 758.4 74 94 92 98 503 37.8 2.936 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2911 2220.5 12.1 scans 22% 264 m/z (241) 2.4% 0.0101% 6675 2.0 56 17995 604450 591885 1-0 12: 264 219 278 279 157 128 124 189 129 131 221 130 0.594 43.31 -0.9 76 84 40 81 278 17.4 9.751 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8519 2252.0 9.0 scans 50% 71 m/z (220) 1.4% 0.0361% 6770 1.1 119 30406 2148152 1949049 1-2 20: 71 57 85 43 267 127 238 55 126 113 41 70 84 69 183 239 268 86 141 56 0.914 43.94 -4.7 65 68 86 87 282 6.2 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8000 2364.0 7.4 scans 40% 73 m/z 1.2% 0.0181% 7100 1.1 95 33932 1077847 967103 3-1 20: 73 355 147 221 281 356 357 207 222 282 429 430 401 223 283 415 267 74 358 327 0.743 45.78 1.4 93 96 70 94 503 10.6 1.232 0.024 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1026 Methyl stearate 45.9411 2372.1 8.8 scans 86% 74 m/z 0.022% 1.61% 7124 0.8 834 1967958 95926965 89670445 2-4 20: 74 87 43 143 255 75 55 298 57 199 83 97 129 101 71 59 185 56 213 256 0.988 45.92 893.4 80 99 99 99 298 143.5 2.959 0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1240 2382.6 8.9 scans 83% 79 m/z (84) 0.050% 1.28% 7155 0.7 727 867707 76126546 72123437 1-3 20: 79 67 95 93 108 80 81 91 94 77 121 135 149 78 122 105 136 66 53 65 0.980 46.13 -0.6 93 94 95 98 292 55.9 0.592 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7640 2419.4 7.7 scans 89% TIC 0.086% 0.347% 7263 1.0 416 505292 20623913 19404544 2-4 0.965 46.76 924.3 79 99 98 99 298 75.0 3.254 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5013 2461.9 7.8 scans 47% 138 m/z 1.6% 0.0164% 7388 1.2 92 26725 975143 909525 6-3 13: 138 120 121 168 43 111 70 65 56 139 306 93 84 0.768 47.50 949.1 75 96 78 95 168 12.7 1.901 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6943 2473.0 7.9 scans 13% 221 m/z (125) 11% 0.00191% 7421 1.0 29 3685 113727 99390 1-5 11: 221 295 148 73 147 296 145 222 369 288 355 0.442 44.32 1025.7 62 98 63 94 369 7.8 7.206 3.374 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9405 2544.7 8.0 scans 52% 73 m/z 1.9% 0.0131% 7632 1.1 79 22749 780265 722311 2-4 19: 73 147 221 355 281 429 357 431 341 205 401 430 282 207 295 297 327 148 356 0.756 51.86 913.8 71 94 71 91 503 6.3 0.639 -2.917 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3567 2626.2 8.0 scans 90% 74 m/z 0.12% 0.275% 7872 1.1 359 339265 16361201 15229899 2-4 20: 74 87 43 326 143 55 75 57 69 283 41 83 97 71 129 59 101 88 199 227 0.963 50.36 1039.2 78 99 97 99 326 70.5 3.859 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6378 2872.5 8.8 scans 30% 73 m/z (133) 7.4% 0.00412% 8597 1.3 37 5846 245145 212206 4-3 7: 73 430 355 221 356 429 341 0.635 45.81 1396.0 65 94 66 90 503 6.6 3.086 8.826 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1533 772.4 6.2 scans 91% 77 m/z (74) 0.046% 0.176% 45 3.4 309 1096228 13136054 11869840 0-5 15: 77 45 78 79 62 59 76 75 63 61 47 46 92 64 80 0.996 4.37 18.4 99 100 99 100 77 263.4 72.494 -0.218 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 6.2407 826.7 11.1 scans 34% 57 m/z (100) 0.83% 0.0169% 399 0.2 78 60954 1263496 1095640 1-8 5: 57 59 87 58 102 0.433 6.03 -134.9 61 94 59 95 102 9.6 0.000 0.208 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5967 836.0 21.3 scans 75% 207 m/z 0.51% 0.0404% 459 2.4 106 99775 3018777 2834155 1-1 15: 207 208 193 96 210 133 191 209 115 89 95 87 147 149 59 0.908 6.53 -140.8 80 100 90 99 207 79.5 55.765 0.069 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6953 864.6 8.9 scans 95% 69 m/z 0.084% 0.746% 645 1.5 574 603617 55660979 50471074 1-5 20: 69 55 41 83 39 42 57 98 70 97 56 43 53 54 40 79 68 51 38 81 0.996 7.71 9.3 100 99 99 100 98 120.4 4.402 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7532 996.3 13.3 scans 37% 207 m/z 0.46% 0.0479% 1500 2.4 123 109214 3579290 3049132 1-3 17: 207 209 192 284 265 235 208 191 85 267 252 125 179 44 133 147 57 0.440 12.22 50.0 88 97 77 99 281 83.1 45.741 0.533 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.1482 1006.8 9.9 scans 77% 81 m/z 0.26% 0.0802% 1569 1.8 184 196153 5982629 5542072 1-3 20: 81 110 53 39 79 41 67 68 77 82 51 65 95 66 50 63 52 111 40 109 0.949 13.22 43.2 91 96 91 99 110 55.6 9.121 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1040 Decane 13.2704 1010.1 8.3 scans 57% TIC 1.1% 0.0119% 1590 1.3 107 42972 892677 807880 1-1 0.951 12.90 10.1 95 94 92 97 142 16.2 2.299 0.372 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1022 ?? Octanal 13.3813 1013.1 8.1 scans 48% 56 m/z (103) 3.1% 0.0207% 1608 1.5 101 16095 1544293 1404698 1-4 13: 56 84 57 41 44 55 69 68 82 100 85 67 86 0.858 12.96 -161.7 63 87 73 96 110 10.0 0.000 0.426 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 14.2674 1037.2 8.3 scans 36% 57 m/z (54 123) 1.9% 0.0106% 1758 1.3 74 26162 796370 735664 8-0 7: 57 41 83 56 84 69 98 0.925 18.83 -15.5 64 73 63 74 122 0.0 0.000 -4.563 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4764 1042.8 13.9 scans 66% 108 m/z 0.90% 0.0464% 1793 1.7 125 56246 3462844 3108149 5-3 18: 108 79 107 77 91 78 74 80 50 65 62 76 90 75 89 38 49 110 0.937 14.11 63.8 88 99 91 99 108 57.5 21.250 0.367 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8058 1051.7 9.7 scans 94% 91 m/z 0.035% 0.465% 1850 1.3 438 1450265 34705715 31687960 2-5 20: 91 92 120 65 63 39 89 51 50 62 90 121 93 38 66 74 61 41 77 86 0.993 14.44 66.9 89 100 99 100 120 142.1 10.520 0.364 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 14.8672 1053.4 >5 scans 4.8% 122 m/z (43 80) 3.1% 0.00376% 1860 3.3 44 16123 0.0127% 280783 143244 947129 0-9 2: 122 124 0.701 17.05 27.4 72 80 71 86 122 9.2 4.354 -2.185 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4900 1070.3 >12 scans 83% 105 m/z 0.10% 0.196% 1965 1.0 295 489705 14644947 13954145 2-0 20: 105 77 123 51 46 106 50 124 78 74 76 79 75 52 66 53 49 68 64 47 0.953 15.17 72.9 87 99 98 99 123 105.7 12.822 0.320 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN 98-86-2 ? Acetophenone 15.5744 1072.6 10.4 scans 69% 105 m/z 0.10% 0.185% 1980 1.1 298 489585 0.271% 13833401 12621627 20210399 0-3 19: 105 77 120 51 50 106 43 78 121 76 74 63 75 39 107 65 52 91 89 0.977 15.29 -173.1 79 98 97 99 120 105.1 12.457 0.281 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7208 1076.5 9.4 scans 35% 95 m/z 0.44% 0.0456% 2005 1.6 150 115652 3405440 3055603 2-3 16: 95 81 124 79 43 109 119 53 91 39 82 65 96 67 113 63 0.692 15.43 74.8 72 88 67 95 124 49.7 10.989 0.288 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1028 ?? p-Cymenene 16.4617 1096.6 7.5 scans 18% 132 m/z (120) 8.6% 0.00233% 2131 1.3 37 5910 174345 151686 0-2 9: 132 117 115 116 207 92 91 126 63 0.846 16.25 -178.0 67 94 77 93 132 19.3 27.671 0.208 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1002 Undecane 16.8212 1109.9 9.3 scans 62% TIC 0.69% 0.0352% 2191 1.0 158 73283 2625526 2496853 0-1 0.919 16.59 9.9 83 85 90 85 156 3.4 0.000 0.234 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0054 1117.7 8.6 scans 83% 57 m/z (127) 0.24% 0.219% 2222 1.2 323 206495 16390649 14780128 4-4 20: 57 41 56 55 43 98 70 44 69 68 82 81 95 96 67 42 39 54 45 83 0.965 16.82 -173.7 77 99 96 98 124 19.0 0.347 0.190 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1016 ? Nonanal 17.0054 1117.7 8.6 scans 75% 57 m/z 0.23% 0.183% 2222 1.2 307 214757 13713889 12366382 4-4 20: 57 41 56 55 43 98 70 44 69 68 82 81 95 96 67 42 39 54 45 83 0.909 16.82 95.3 75 94 88 94 124 18.5 0.000 0.190 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1008 ?? Maltol 17.1866 1125.3 9.4 scans 45% 71 m/z (81) 1.5% 0.0217% 2253 1.2 102 33742 1620140 1595408 0-2 17: 71 110 128 43 58 55 78 41 121 84 69 70 72 57 51 59 106 0.755 16.96 100.7 64 90 71 96 156 4.7 0.000 0.229 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.1884 1125.4 11.5 scans 29% TIC 1.4% 0.0115% 2253 1.4 83 35519 862028 816949 1-0 0.582 16.97 100.7 61 87 54 95 128 21.7 6.859 0.220 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2262 1169.2 9.4 scans 64% 73 m/z 0.66% 0.0377% 2429 1.5 136 76728 2816987 2609788 2-2 20: 73 267 356 268 154 269 251 249 193 74 339 323 358 270 108 357 78 177 106 195 0.849 18.13 -162.5 78 99 83 98 355 61.5 20.526 0.095 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN M4942-N1002 ? Pyranone 18.3738 1175.5 11.0 scans 59% 144 m/z 0.46% 0.0667% 2454 1.3 168 110477 4981036 4746425 1-4 14: 144 101 44 72 73 45 55 115 145 58 126 85 54 114 0.765 20.04 -215.0 77 98 73 97 144 83.6 24.807 -1.668 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 19.1353 1207.7 8.4 scans 12% 71 m/z (65) 1.1% 0.0331% 2583 1.4 122 43339 2469106 2063259 3-4 12: 71 57 127 126 99 58 113 155 154 128 72 170 0.909 29.94 -8.7 75 80 84 81 254 0.0 0.000 -10.806 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1266 Octanoic acid 19.8195 1236.6 >20 scans 90% 85 m/z 0.11% 0.896% 2699 0.1 490 439806 66847923 64241533 0-2 20: 85 60 69 55 73 101 97 115 41 57 87 43 88 82 45 56 39 42 70 53 0.995 22.03 -72.5 80 90 92 98 175 0.0 0.000 -2.215 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.8921 1239.6 12.1 scans 10% 119 m/z (85) 2.6% 0.00901% 2711 1.3 55 18952 672250 567491 6-3 5: 119 91 134 128 65 0.530 13.76 40.1 70 82 68 82 134 21.6 15.449 6.135 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9381 1241.6 8.8 scans 88% TIC 0.10% 0.247% 2719 0.9 360 469414 18475301 16830580 2-4 0.981 19.81 174.1 78 97 94 100 144 7.7 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4281 1260.9 8.3 scans 92% 57 m/z (121) 0.060% 0.472% 2802 1.1 493 838671 35228826 32587277 2-3 20: 57 71 43 85 41 56 55 70 84 42 170 99 98 69 112 39 113 58 127 83 0.999 20.32 3.2 99 100 100 100 170 64.9 1.729 0.108 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6335 1267.1 8.1 scans 85% 57 m/z 0.49% 0.132% 2837 1.1 271 103996 9879010 8932344 4-1 20: 57 41 43 55 70 82 71 68 67 83 56 44 81 69 112 96 95 84 42 39 0.974 20.56 188.4 71 87 92 99 128 28.7 1.124 0.071 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0899 1280.8 10.5 scans 84% 94 m/z 0.025% 0.756% 2914 0.7 576 2017366 56386932 51673672 2-3 20: 94 138 77 95 66 65 51 107 39 45 79 78 139 50 63 93 38 40 74 62 0.985 20.98 195.8 79 98 96 99 152 0.0 0.000 0.107 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1024 ? Hexadecane 21.1755 1283.4 8.0 scans 48% 71 m/z (74) 0.75% 0.0454% 2929 1.2 151 67423 3391184 2995112 3-3 13: 71 57 85 70 99 140 113 112 86 169 127 184 154 0.952 33.32 16.4 73 75 87 79 226 0.0 0.000 -12.144 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3850 1289.7 8.4 scans 9.7% 281 m/z 1.7% 0.00603% 2964 1.7 54 28798 449716 403829 2-2 15: 281 282 283 251 193 249 265 207 284 208 191 223 250 266 205 0.684 12.25 136.6 73 97 61 96 281 42.7 62.176 9.134 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0934 1310.9 8.0 scans 86% 175 m/z 0.027% 0.475% 3084 0.9 519 1829242 35466912 32418843 4-3 20: 175 57 190 176 91 147 41 65 115 117 105 191 80 77 128 66 131 64 119 79 0.977 22.01 210.5 80 100 98 100 190 139.0 7.177 0.083 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 23.0126 1338.5 8.1 scans 88% TIC 0.10% 0.298% 3240 0.7 400 486581 22226327 20359069 2-2 0.961 24.54 201.2 77 97 94 98 169 29.5 0.542 -1.529 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.6135 1356.5 11.2 scans 66% TIC 0.31% 0.132% 3342 0.2 263 160091 9864903 8826370 1-10 0.926 22.70 -118.8 76 96 93 99 158 17.2 0.428 0.918 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8851 1364.8 9.6 scans 55% 57 m/z (99) 0.58% 0.0646% 3388 1.0 160 87186 4818622 4231485 1-3 19: 57 85 71 43 41 69 56 55 70 83 42 44 97 98 126 112 113 141 184 0.780 23.86 0.8 91 97 91 96 184 19.6 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1301 1373.0 7.2 scans 61% 73 m/z 0.24% 0.0929% 3429 1.1 241 206776 6931033 6631723 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 344 207 311 327 432 148 251 82 45 0.914 24.17 -150.8 79 99 91 99 429 75.3 9.753 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7605 1394.0 9.4 scans 65% 43 m/z (139) 0.50% 0.0735% 3536 1.1 184 101241 5482391 5199724 1-2 20: 43 83 55 41 82 111 58 142 56 85 70 113 39 93 67 108 127 86 42 128 0.837 24.70 254.4 74 95 95 98 170 6.6 0.000 0.065 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.9530 1400.4 >7 scans 32% TIC 1.2% 0.00830% 3569 3.7 102 41303 0.0312% 619660 619660 2326806 0-0 0.633 20.36 0.2 69 83 64 85 170 8.0 0.000 4.595 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2600 1410.7 7.1 scans 44% 43 m/z 0.26% 0.0325% 3621 0.8 147 193671 2429564 2225890 3-1 13: 43 103 145 116 115 86 74 73 44 146 61 104 117 0.901 25.24 -149.2 79 100 96 100 145 52.5 12.828 0.018 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5852 1421.6 >23 scans 96% 84 m/z 0.0065% 9.06% 3676 0.2 1431 7755267 676178782 658688497 0-2 20: 84 161 42 118 92 130 65 117 78 51 163 105 104 55 159 52 131 79 93 50 0.997 25.89 264.6 79 98 97 99 162 396.9 7.693 -0.307 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8279 1429.7 7.6 scans 73% 93 m/z (85) 0.19% 0.134% 3717 0.9 274 261162 10026020 9033782 9-2 19: 93 121 136 43 79 91 77 194 81 94 41 123 95 107 108 125 137 67 122 0.955 25.78 274.4 75 97 90 99 194 41.8 2.334 0.051 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1089 1472.5 6.8 scans 23% 221 m/z 2.6% 0.00712% 3933 1.0 71 19167 531502 501817 1-2 19: 221 73 147 355 223 356 443 267 148 281 282 283 191 149 249 205 444 268 190 0.783 27.12 297.6 72 95 78 94 355 14.7 4.296 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.2098 1475.8 8.0 scans 92% 57 m/z (132) 0.030% 1.00% 3951 0.8 725 1686903 74858929 67412976 2-6 20: 57 71 43 85 41 55 56 70 99 69 198 84 42 112 127 83 126 39 141 72 0.995 27.21 0.0 99 100 99 100 198 92.5 1.627 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9950 1505.3 >12 scans 62% TIC 0.46% 0.0349% 4084 1.6 160 109589 0.0495% 2604887 2604887 3691567 0-0 0.943 27.93 318.6 76 97 92 98 146 72.5 20.497 0.064 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4064 1520.8 8.5 scans 51% 80 m/z (71) 0.60% 0.0310% 4154 1.0 124 84480 2318529 2129625 2-3 13: 80 171 104 53 170 78 77 65 51 172 167 103 50 0.909 28.39 327.4 74 98 93 98 171 54.4 19.069 0.017 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6774 1531.0 8.0 scans 85% 43 m/z (166) 0.069% 0.434% 4200 0.9 472 736965 32422907 29169647 4-11 20: 43 69 41 151 136 107 67 125 93 109 53 83 121 68 81 39 108 79 77 55 0.981 28.67 333.6 78 99 98 100 194 29.8 0.398 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1030 1547.0 7.6 scans 63% 71 m/z (73) 0.16% 0.203% 4272 1.1 335 300734 0.307% 15142402 14513864 22895175 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 97 183 69 42 207 72 39 0.928 29.10 343.1 65 90 91 90 227 7.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5227 1562.8 7.2 scans 61% 73 m/z 0.19% 0.141% 4343 0.9 297 268541 10523873 10025782 2-2 20: 73 281 147 327 415 282 341 503 283 399 221 328 504 416 148 74 329 417 325 342 0.946 29.61 -150.3 78 98 92 98 503 51.6 3.033 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6709 1568.4 10.6 scans 73% 158 m/z (43) 0.037% 0.898% 4368 0.8 612 1373271 66973958 63387786 2-3 20: 158 157 130 159 117 116 77 178 89 91 105 156 79 63 131 90 119 78 104 143 0.870 29.68 355.9 73 95 75 95 192 46.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6709 1568.4 10.6 scans 61% 158 m/z 0.037% 0.713% 4368 0.8 558 1379091 53240599 50389790 2-3 20: 158 157 130 159 117 116 77 178 89 91 105 156 79 63 131 90 119 78 104 143 0.779 29.68 355.8 78 98 94 99 158 295.4 28.039 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7724 1572.2 7.9 scans 62% 123 m/z (85) 0.081% 0.157% 4385 1.0 294 624684 11755322 11065560 1-3 12: 123 135 124 107 91 95 79 109 93 81 193 165 0.965 29.77 358.2 77 99 99 99 193 23.8 0.654 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.3321 1593.2 8.0 scans 42% 57 m/z (128) 0.56% 0.0424% 4480 0.9 167 90312 0.0859% 3168151 3148988 6406174 1-0 19: 57 71 43 85 41 212 56 55 99 70 42 98 113 140 69 126 97 84 83 0.944 30.38 -1.7 86 92 93 94 212 21.0 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5204 1600.9 8.7 scans 90% 191 m/z 0.013% 1.03% 4512 0.8 742 3805626 77052510 73839608 1-4 20: 191 206 192 57 163 74 175 91 115 41 107 207 77 73 88 147 128 161 133 105 0.990 30.50 376.1 80 100 98 100 206 201.5 7.368 0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8362 1614.2 8.7 scans 43% 124 m/z (71) 0.62% 0.0442% 4565 0.9 149 82138 3297610 3141648 3-3 7: 124 137 180 138 54 152 181 0.966 30.81 384.8 75 97 91 98 180 40.2 7.328 0.029 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8888 1616.4 9.0 scans 62% 162 m/z (59) 0.27% 0.120% 4574 0.9 239 183913 8993980 8322049 2-3 20: 162 147 161 119 91 134 204 77 163 148 115 103 133 51 145 131 79 65 189 63 0.892 30.88 0.4 90 93 74 93 204 36.9 2.379 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9513 1619.0 9.6 scans 8.8% 172 m/z (71) 3.3% 0.00622% 4585 1.3 53 15302 0.00825% 464184 422818 615261 4-0 2: 172 171 0.623 30.93 1.0 83 86 65 94 171 28.8 29.449 0.024 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2229 1630.4 9.6 scans 73% 111 m/z (71) 0.12% 0.304% 4631 0.8 370 420403 22721645 20904966 2-2 19: 111 109 137 180 67 110 124 152 95 79 81 77 39 65 93 165 112 53 94 0.995 31.18 395.4 75 95 96 99 180 80.7 4.763 0.045 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5240 1643.1 11.0 scans 58% 43 m/z (167) 0.80% 0.0577% 4682 1.1 156 63732 4306024 4128932 1-0 19: 43 71 57 85 98 55 166 127 111 169 41 99 56 151 182 67 107 82 69 0.969 31.52 0.4 79 82 83 85 166 22.2 2.037 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9201 1659.7 8.4 scans 38% TIC 0.87% 0.0296% 4749 0.7 142 58370 2208044 2060068 1-1 0.611 31.92 0.0 82 91 57 87 219 6.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0576 1665.5 6.7 scans 12% 221 m/z 1.9% 0.00963% 4772 1.1 77 26731 718869 610439 3-11 13: 221 73 147 295 222 207 355 191 356 342 297 296 343 0.721 32.08 -0.9 91 96 75 94 355 15.1 3.801 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2388 1673.1 8.8 scans 69% 57 m/z (59) 0.33% 0.139% 4803 1.3 246 153288 10428027 9182704 2-2 20: 57 149 105 43 77 71 85 100 41 56 123 183 99 55 137 51 113 70 182 42 0.951 32.24 0.0 72 76 80 81 226 8.2 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4402 1681.6 9.7 scans 61% 57 m/z (149) 0.43% 0.107% 4837 1.0 199 117568 7983521 6396048 9-1 18: 57 71 85 56 43 197 41 196 55 99 113 141 83 97 164 168 86 84 0.950 32.44 -0.1 90 94 91 94 226 8.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6851 1691.9 8.6 scans 75% 205 m/z 0.64% 0.165% 4878 1.0 308 79393 12351635 11464016 1-2 20: 205 105 91 119 43 93 159 79 107 162 187 147 77 41 131 121 106 123 69 133 0.931 32.67 0.4 96 97 91 97 220 19.3 0.392 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8664 1699.5 7.6 scans 28% 70 m/z (149) 0.79% 0.0378% 4909 1.4 139 64172 2823826 2532209 9-6 3: 70 216 224 0.800 32.87 0.0 71 82 79 86 186 4.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9384 1702.5 7.9 scans 50% 71 m/z (149) 0.17% 0.0729% 4921 0.7 190 291380 5437979 4925000 4-6 13: 71 43 111 243 159 72 155 173 143 89 215 73 244 0.936 32.93 0.2 93 96 92 100 243 29.8 2.448 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1212 ? Hexadecene 33.0877 1708.8 7.7 scans 42% 83 m/z (159) 2.7% 0.0272% 4947 0.9 124 18594 2034424 1848552 1-1 20: 83 97 55 69 70 57 85 43 41 56 84 112 82 67 125 98 167 42 99 68 0.853 33.09 0.1 76 77 84 93 224 5.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3144 1718.3 7.4 scans 87% 57 m/z 0.089% 0.300% 4985 0.8 432 569285 22374044 21357695 6-1 20: 57 71 85 43 41 55 99 56 70 69 113 84 226 98 42 83 112 127 97 72 0.986 33.37 -2.5 100 99 98 99 226 48.5 1.263 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2714 1733.6 7.7 scans 31% 57 m/z (220) 1.4% 0.0180% 5147 1.0 104 35486 1347843 1347843 0-0 19: 57 71 43 85 98 41 55 211 210 99 54 111 182 113 183 94 83 127 70 0.858 34.27 0.0 85 91 89 95 211 18.6 3.217 0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.4160 1735.7 15.1 scans 90% 73 m/z 0.0096% 6.25% 5172 0.2 1420 5284783 466129326 454402495 1-1 20: 73 221 147 356 281 222 207 133 191 131 205 268 145 265 249 193 326 192 177 119 0.921 34.39 452.7 80 99 91 99 415 177.0 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 35.0482 1744.8 >22 scans 91% 91 m/z 0.012% 3.99% 5279 0.1 1007 4211415 297728832 295095613 0-2 20: 91 155 199 65 90 184 44 89 92 120 63 137 39 77 106 64 51 134 107 109 0.993 34.79 455.8 80 99 98 99 199 291.3 8.373 0.262 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1155 1745.7 20.3 scans 19% 85 m/z (91) 1.5% 0.0195% 5290 1.3 112 32490 0.106% 1459372 1459372 7905175 0-0 20: 85 57 43 71 197 56 99 42 70 113 198 196 127 211 175 114 86 100 97 169 0.900 33.90 17.4 77 86 84 88 197 22.0 3.846 1.220 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3646 1749.3 8.2 scans 74% 57 m/z (206) 0.26% 0.236% 5332 0.8 343 195342 17604047 15695612 8-1 20: 57 43 71 69 56 55 95 126 81 41 70 85 111 83 82 97 96 67 137 112 0.977 35.35 451.9 73 93 98 98 196 16.4 0.229 0.018 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 35.5087 1751.3 8.3 scans 37% 83 m/z (200) 1.3% 0.0551% 5357 1.0 158 39144 4115265 3579987 3-4 19: 83 120 55 97 69 82 70 68 111 56 84 138 96 121 137 98 125 67 93 0.855 34.90 8.6 64 65 77 82 224 2.2 0.000 0.608 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7194 1754.4 9.3 scans 29% 123 m/z (71) 0.68% 0.0372% 5392 1.4 131 74571 2779316 2529051 2-2 12: 123 193 157 175 124 151 224 131 194 208 167 181 0.898 35.70 451.7 70 94 77 94 224 8.9 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4904 1765.4 6.9 scans 6.9% 221 m/z 2.1% 0.00836% 5523 1.0 78 24298 623558 590899 1-0 17: 221 73 147 295 355 281 223 296 207 370 74 328 222 371 327 282 148 0.759 36.58 448.9 71 95 68 92 369 13.8 3.086 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2035 1775.6 8.2 scans 5.7% 209 m/z 2.3% 0.00457% 5644 1.0 53 22152 340943 318349 2-1 8: 209 224 210 165 181 103 179 178 0.595 37.20 449.3 67 91 47 89 224 22.8 18.875 0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0548 1787.8 8.2 scans 64% 57 m/z (148) 0.35% 0.0935% 5788 1.1 222 141970 6976654 6574879 2-1 19: 57 71 85 43 56 225 41 99 55 224 113 69 127 70 141 83 98 196 42 0.978 38.06 448.1 76 98 97 99 225 41.5 3.501 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5873 1795.4 16.5 scans 84% TIC 0.014% 4.89% 5878 0.4 1331 3623957 6.01% 365243212 345698182 448208479 2-0 0.997 38.59 447.3 80 99 97 99 429 404.8 9.258 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.6097 1795.7 16.7 scans 55% 73 m/z (429) 0.010% 3.95% 5882 0.3 1063 4682991 294649315 286774572 1-1 20: 73 148 74 149 133 45 296 344 268 311 87 269 370 224 192 132 313 284 119 177 0.936 32.10 546.9 61 88 85 83 355 138.8 0.000 6.508 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8210 1798.7 10.5 scans 47% 57 m/z (253) 0.65% 0.0569% 5918 1.0 156 77955 4250309 4032610 1-1 20: 57 43 41 56 84 70 58 169 86 197 154 72 182 96 168 183 225 430 142 39 0.889 38.91 -1.3 86 95 88 92 254 9.8 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4474 1866.6 8.0 scans 54% 74 m/z 0.35% 0.0595% 6024 0.9 190 144720 4438380 4150086 1-3 15: 74 87 143 43 41 75 213 59 129 199 225 101 88 157 185 0.849 39.45 505.1 68 92 81 91 256 29.1 2.350 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1018 ? Neophytadiene 39.7626 1905.7 7.5 scans 90% 68 m/z 0.11% 0.524% 6077 0.9 574 427330 39115970 37167659 2-1 20: 68 95 82 57 69 123 43 55 81 67 83 41 71 97 96 109 124 111 56 85 0.990 39.94 536.6 79 98 98 98 278 28.9 0.253 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8836 1920.7 7.9 scans 66% 58 m/z 0.45% 0.0872% 6098 1.2 237 113312 6504290 6056553 1-3 14: 58 43 71 59 109 69 95 110 124 56 81 123 82 96 0.921 39.88 552.4 77 98 92 96 250 24.7 1.087 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3116 1973.8 8.3 scans 63% 149 m/z (281) 0.11% 0.102% 6170 0.9 230 450671 7607179 6790020 6-7 20: 149 150 57 104 223 76 41 167 56 121 205 122 65 93 132 105 39 50 75 148 0.978 40.31 598.9 76 97 97 100 223 46.5 4.091 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN N406_R~1-N1110 ? Phytol 40.3830 1982.6 7.9 scans 23% 81 m/z (311) 1.8% 0.0241% 6183 1.3 103 28295 1803184 1510631 2-1 12: 81 95 82 123 79 109 124 278 138 279 137 179 0.712 40.66 -34.6 78 90 53 86 278 15.6 2.308 -0.279 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6050 2010.1 6.9 scans 20% 221 m/z (139) 3.6% 0.00684% 6220 0.9 64 13853 510198 461180 1-2 17: 221 73 147 281 207 369 296 295 222 148 223 297 208 355 74 327 225 0.856 40.63 630.0 71 98 84 96 369 11.7 3.308 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1254 Phytol 40.8482 2040.3 7.9 scans 66% 82 m/z (180) 1.0% 0.0753% 6261 1.1 201 46865 5618085 5149002 2-4 11: 82 81 95 68 123 79 67 96 124 109 278 0.959 40.87 -2.4 88 89 95 98 278 23.1 1.325 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BQLD_R~1-N1056 ?? Homosalate 40.9923 2058.2 8.2 scans 14% 138 m/z 2.3% 0.00804% 6285 1.1 72 21371 600193 584995 1-1 11: 138 120 109 124 121 262 139 82 65 93 246 0.478 41.00 672.4 66 97 56 95 262 12.4 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2437 2089.3 7.9 scans 83% 79 m/z 0.11% 0.409% 6328 1.0 486 431922 30556972 28431589 2-2 20: 79 67 93 95 80 91 55 108 121 41 81 77 94 107 135 59 87 78 105 122 0.936 41.26 -1.7 98 99 92 99 264 34.2 0.495 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4533 2115.3 8.1 scans 65% 205 m/z 0.40% 0.174% 6363 0.8 319 127521 13005132 11934388 3-2 20: 205 57 217 175 55 189 177 232 91 261 191 203 163 192 135 115 176 206 233 77 0.792 41.49 -81.3 84 100 87 99 276 20.9 0.431 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8400 2139.0 8.3 scans 47% 71 m/z (176) 1.5% 0.0426% 6429 0.9 140 32899 3178267 2739355 4-3 20: 71 57 84 43 85 70 55 97 69 41 125 83 111 98 99 107 81 126 59 56 0.929 41.48 20.0 69 75 84 77 268 3.1 0.000 0.357 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0608 2151.4 11.9 scans 93% TIC 0.010% 4.22% 6467 0.3 1303 4910391 315419789 289488254 2-2 0.997 42.01 749.4 80 99 99 99 272 34.0 0.068 0.050 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3046 2165.1 9.7 scans 92% 73 m/z 0.033% 1.24% 6508 1.1 759 1541553 92697583 85509852 2-3 20: 73 147 281 221 355 429 503 341 282 430 222 356 504 342 267 223 325 401 75 265 0.988 42.37 756.1 74 90 94 99 503 125.9 2.749 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1252 Contamination 43.31min 43.3093 2221.5 12.8 scans 11% 263 m/z (278) 7.0% 0.00522% 6678 1.1 40 7275 389361 320346 2-5 6: 263 131 203 219 154 130 0.291 43.31 0.1 82 97 31 92 278 11.8 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8536 2252.1 8.6 scans 49% 71 m/z (220) 1.6% 0.0273% 6770 1.1 116 31475 2036434 1851945 1-2 17: 71 85 57 43 267 55 126 41 113 84 141 70 127 238 86 54 154 0.895 43.94 -4.6 63 66 83 85 282 5.3 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7810 2362.9 7.7 scans 69% 73 m/z (82) 0.49% 0.0638% 7097 1.2 185 103380 4762882 4277196 3-2 20: 73 355 147 221 281 356 357 207 429 268 222 74 282 295 503 283 415 430 223 358 0.901 45.78 0.3 96 98 91 98 503 16.7 0.815 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1026 Methyl stearate 45.9469 2372.4 8.8 scans 85% 74 m/z 0.021% 1.54% 7125 0.7 886 2353099 114945722 107669795 2-4 20: 74 87 255 143 75 55 298 69 41 83 97 129 101 71 59 56 213 256 111 84 0.984 45.92 893.7 80 99 99 99 298 149.4 2.845 0.027 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1341 2383.2 9.1 scans 83% TIC 0.042% 1.38% 7157 0.6 830 1212317 103061567 95289123 2-4 0.911 46.13 -0.0 94 95 90 97 292 63.7 0.588 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7592 2419.2 8.0 scans 89% TIC 0.10% 0.271% 7262 1.1 397 491109 20269483 19018976 3-3 0.968 46.76 924.1 79 99 98 99 298 71.2 3.228 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4948 2461.5 8.0 scans 32% 120 m/z (95) 4.7% 0.00794% 7387 1.6 66 10652 592661 528440 9-3 4: 120 169 122 306 0.777 47.50 948.7 67 95 80 93 168 7.0 1.143 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9340 2544.4 8.0 scans 51% 73 m/z (105) 2.5% 0.0105% 7631 0.9 75 20075 787179 705253 2-5 18: 73 147 429 355 207 281 357 221 369 341 282 265 327 342 415 222 267 149 0.808 48.95 994.0 70 97 81 97 429 21.7 8.475 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3514 2625.9 7.6 scans 90% 74 m/z 0.13% 0.236% 7871 1.1 373 383986 17641525 16661807 2-3 20: 74 87 43 75 55 143 326 57 69 41 83 97 71 129 59 101 227 199 88 56 0.959 50.36 1038.9 78 99 97 99 326 71.8 3.713 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN HCMIX_~1-N1026 ?? Tricosane 50.5751 2638.8 7.6 scans 27% 57 m/z (79) 8.9% 0.00261% 7909 1.2 39 5717 195069 178378 3-2 13: 57 71 85 43 95 83 70 99 98 68 155 125 82 0.668 50.69 -6.4 67 79 63 71 324 2.1 0.000 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8449 2711.8 8.2 scans 34% 73 m/z 3.0% 0.00543% 8124 1.1 56 16714 405170 372459 3-4 19: 73 147 281 341 429 356 431 430 207 295 74 505 282 148 267 401 222 504 208 0.548 51.86 1080.9 71 95 54 92 503 10.9 3.781 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1156 771.4 5.9 scans 87% 77 m/z (55) 0.051% 0.166% 39 3.6 269 827505 0.169% 9673187 8600558 9829324 3-5 15: 77 45 78 79 62 59 76 75 63 47 61 46 92 58 64 0.990 4.37 17.4 99 100 100 100 77 229.1 72.631 -0.255 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5915 835.9 >24 scans 77% TIC 0.43% 0.0498% 458 2.7 103 96566 2899495 2724077 2-1 0.887 6.53 -140.9 80 100 88 99 207 78.3 57.479 0.063 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6842 864.3 8.7 scans 92% 55 m/z 0.21% 0.306% 643 1.8 327 196413 17832609 15445237 2-4 20: 55 41 69 83 39 42 57 98 70 97 43 56 80 53 54 40 68 79 81 51 0.991 7.71 9.0 100 99 98 100 98 67.8 4.312 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2392 982.9 10.4 scans 51% 281 m/z (63) 0.42% 0.0636% 1415 2.3 133 100342 3701959 3439639 2-1 19: 281 43 282 283 71 41 99 265 249 207 93 284 191 133 193 203 126 251 53 0.722 12.22 36.6 91 98 67 99 281 79.8 36.195 0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6819 994.4 10.0 scans 70% 81 m/z 0.25% 0.0864% 1490 1.9 167 165398 5029134 4645345 1-3 20: 81 110 53 79 67 39 41 68 109 65 77 82 51 95 40 50 66 91 52 54 0.936 13.22 30.8 94 96 90 98 110 50.4 9.117 -0.540 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1040 Decane 12.8195 998.0 7.9 scans 28% 57 m/z (73) 1.1% 0.0199% 1513 1.2 90 37226 1160033 1101992 5-1 11: 57 43 71 85 142 99 70 113 98 84 143 0.827 12.90 -2.0 92 98 76 95 142 15.5 2.979 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9363 1001.1 8.4 scans 47% 84 m/z (43) 3.9% 0.0174% 1533 1.7 80 10629 1017791 912630 1-3 16: 84 56 44 57 41 55 69 82 68 54 67 85 39 95 86 99 0.867 12.96 -173.7 69 97 83 95 110 9.8 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1016 Limonene 13.9127 1027.5 8.3 scans 50% 68 m/z 1.2% 0.0303% 1698 1.3 114 35007 1765468 1648631 2-6 19: 68 93 67 79 121 136 94 53 92 107 91 123 77 80 95 81 126 51 52 0.725 13.89 52.2 83 96 80 95 136 23.9 4.411 0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1058 1032.8 15.5 scans 38% 108 m/z 2.4% 0.0135% 1731 2.2 60 17040 787174 730170 2-2 11: 108 79 107 77 52 51 80 95 89 38 105 0.764 14.11 53.8 86 96 71 95 108 31.8 27.871 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4612 1042.4 9.8 scans 93% 91 m/z 0.028% 0.611% 1791 1.3 445 1490595 35543852 31739037 2-5 20: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 74 38 66 61 52 41 0.990 14.44 57.6 91 100 99 100 120 145.4 10.700 0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1890 1062.1 >11 scans 67% 105 m/z 0.085% 0.254% 1914 0.8 296 495835 14793961 14123613 2-0 19: 105 77 123 46 51 124 50 78 75 79 125 107 67 53 49 93 44 47 37 0.976 15.17 64.7 89 100 97 100 123 107.8 13.254 0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN 98-86-2 ? Acetophenone 15.2870 1064.8 10.5 scans 78% TIC 0.023% 0.855% 1931 1.0 551 1771353 49751272 45591475 1-3 0.942 15.29 -180.9 79 98 93 99 120 197.8 12.909 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4382 1068.9 9.1 scans 66% 95 m/z 0.14% 0.173% 1957 1.5 251 290047 10084512 8909106 1-7 20: 95 81 124 79 43 109 53 39 82 65 96 91 66 67 125 80 52 63 54 113 0.953 15.43 67.2 85 97 91 96 124 78.5 9.781 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1002 ? Undecane 16.5946 1100.3 9.0 scans 33% 71 m/z 0.70% 0.0361% 2153 0.9 117 59837 2103257 1904775 2-3 13: 71 57 85 41 70 84 113 127 69 99 98 170 72 0.588 16.59 0.3 77 83 53 81 156 3.2 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1016 ?? Nonanal 16.7853 1108.4 8.3 scans 67% 57 m/z 0.29% 0.156% 2185 1.3 251 144063 9075577 8099402 7-4 19: 57 41 56 55 98 70 82 44 69 68 96 95 67 81 267 39 42 54 114 0.836 16.82 86.0 65 83 86 94 124 14.2 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9642 1115.9 8.6 scans 32% 71 m/z 1.2% 0.0144% 2216 1.2 84 33365 841313 761467 1-2 19: 71 95 126 58 43 128 85 55 84 121 96 69 110 57 51 72 70 127 113 0.583 16.97 91.2 71 98 75 96 128 23.0 7.416 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1008 ?? Maltol 16.9642 1115.9 8.6 scans 52% 71 m/z (81) 1.2% 0.0304% 2216 1.2 108 33197 1769730 1601771 1-2 19: 71 95 126 58 43 128 85 55 84 121 96 69 110 57 51 72 70 127 113 0.890 16.96 91.3 63 82 83 91 156 6.2 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0716 1162.7 >8 scans 74% TIC 0.53% 0.0399% 2403 999.0 142 79431 0.0677% 2326225 2144624 3937546 0-3 0.948 18.13 -169.0 79 99 91 99 355 60.7 18.248 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN M4942-N1002 ? Pyranone 18.2523 1170.3 10.5 scans 54% 144 m/z (145) 1.7% 0.0288% 2434 1.7 92 24844 1680313 1519213 2-2 17: 144 43 101 44 55 68 72 96 97 73 45 115 69 56 39 42 54 0.800 20.04 -220.2 74 98 91 97 144 39.7 18.583 -1.790 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1018 ? Pyranone 18.2523 1170.3 10.5 scans 56% 144 m/z (134) 1.7% 0.0300% 2434 1.7 94 24101 1745930 1578539 2-2 17: 144 43 101 44 55 68 72 96 97 73 45 115 69 56 39 42 54 0.824 18.22 126.8 72 95 86 98 144 39.1 17.350 0.031 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3172 1173.1 8.8 scans 5.6% 281 m/z 11% 0.000682% 2445 4.7 20 3815 0.00100% 39686 39035 58162 0-2 4: 281 193 282 283 0.510 12.25 20.0 79 90 53 88 281 15.6 60.810 6.066 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7204 1190.1 13.4 scans 12% 107 m/z (103) 6.7% 0.00990% 2513 0.7 54 6333 575927 515655 2-0 4: 107 100 111 93 0.662 18.71 139.3 62 95 71 93 153 0.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8302 1194.8 9.6 scans 21% 70 m/z 1.6% 0.0301% 2532 1.1 112 26111 1750997 1611258 1-2 13: 70 96 81 84 54 93 53 98 40 94 68 72 151 0.729 18.83 142.1 64 89 72 96 122 10.1 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7541 1233.8 11.0 scans 0.80% 119 m/z (128) 2.8% 0.00725% 2688 1.2 46 15047 421698 375970 1-3 4: 119 91 134 120 0.380 13.76 34.3 72 81 68 81 134 17.4 14.216 5.997 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8019 1235.8 9.1 scans 9.3% 57 m/z (84) 0.31% 0.0929% 2696 1.6 171 135419 5408758 5282728 9-0 14: 57 45 75 89 72 100 132 56 33 131 59 58 71 46 0.816 19.81 168.3 71 100 84 96 144 4.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1266 Octanoic acid 20.1838 1251.9 >19 scans 94% 60 m/z 0.062% 1.73% 2761 0.1 617 675073 100907323 93704381 1-2 20: 60 69 85 55 73 41 97 101 115 87 57 43 88 45 108 82 83 39 56 98 0.996 22.03 -57.2 84 89 91 99 175 0.0 0.000 -1.850 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3196 1257.7 8.1 scans 88% 57 m/z 0.067% 0.418% 2784 1.2 423 632537 0.433% 24335704 21882364 25184009 2-4 20: 57 71 43 85 41 56 55 70 170 42 84 99 98 69 112 39 58 127 72 83 0.982 20.32 -0.0 100 99 97 99 170 59.0 1.948 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1034 ? Decanal 20.5339 1264.1 8.5 scans 68% TIC 0.53% 0.116% 2820 1.0 229 79240 6765607 6171600 2-1 0.869 20.57 -142.9 71 93 90 97 138 13.2 0.332 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 20.5634 1265.0 >21 scans 26% 77 m/z 0.98% 0.0441% 2825 0.9 97 42968 0.0610% 2566353 2451060 3547863 1-0 7: 77 85 74 122 50 88 106 0.231 20.03 194.3 73 97 88 97 122 48.9 25.473 0.534 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9896 1277.8 10.8 scans 51% 94 m/z (137) 0.23% 0.0978% 2897 1.3 174 183812 5690372 5283247 1-4 18: 94 138 77 95 66 91 65 51 107 39 139 45 78 63 52 50 108 120 0.933 20.98 192.8 78 99 98 99 152 6.9 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9926 1277.9 10.1 scans 11% TIC 1.2% 0.0149% 2898 1.3 82 33000 0.0185% 871197 843645 1075991 1-0 0.143 21.00 192.6 65 95 12 86 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1024 ? Hexadecane 21.0811 1280.5 >9 scans 72% TIC 0.71% 0.0437% 2913 1.9 149 59766 2541707 2421909 0-1 0.910 33.32 13.5 74 76 86 80 226 0.0 0.000 -12.238 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0127 1308.5 8.0 scans 88% TIC 0.029% 0.465% 3070 0.9 457 1456654 27064408 24994425 5-2 0.969 22.01 208.1 80 100 97 100 190 124.3 7.402 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 22.9531 1336.7 7.8 scans 86% 71 m/z 0.11% 0.289% 3230 0.8 358 382579 16835506 15620867 3-2 19: 71 57 85 43 41 70 99 55 127 113 84 56 155 83 42 72 126 112 58 0.961 24.54 199.4 77 97 94 98 169 26.7 0.555 -1.589 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.4448 1351.5 7.5 scans 76% 71 m/z (59) 0.65% 0.0509% 3313 1.0 153 64954 2960966 2805047 1-1 20: 71 57 85 43 41 70 99 127 113 55 69 84 56 155 112 83 169 126 42 72 0.966 23.86 -12.5 78 80 92 82 184 0.0 0.000 -0.417 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.8380 1363.3 16.5 scans 80% 60 m/z 0.14% 0.514% 3380 0.2 361 292553 29905029 25321005 2-8 20: 60 73 57 115 55 41 129 43 69 98 61 39 87 56 45 42 101 74 71 70 0.938 25.35 214.1 76 95 92 99 162 0.0 0.000 -1.516 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.8380 1363.3 16.5 scans 72% 60 m/z (72 151) 0.15% 0.506% 3380 0.2 343 266276 29467749 24950753 2-8 20: 60 73 57 115 55 41 129 43 69 98 61 39 87 56 45 42 101 74 71 70 0.960 22.70 -112.0 72 94 93 99 158 20.6 0.360 1.142 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0942 1371.8 7.2 scans 64% 341 m/z 0.22% 0.110% 3423 1.0 234 187563 6440096 6060597 2-2 20: 341 73 429 342 325 147 343 430 431 326 74 207 327 344 148 251 82 432 191 75 0.892 24.17 -152.0 79 99 88 99 429 73.1 9.788 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7306 1393.0 9.1 scans 60% 43 m/z 0.71% 0.0435% 3531 1.0 135 59310 2534328 2342716 2-1 20: 43 83 55 82 142 41 127 58 113 85 39 111 70 108 128 93 67 68 53 59 0.848 24.70 253.4 74 97 91 96 170 5.7 0.000 0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1032 ?? Dodecane 25.2199 1409.4 12.9 scans 48% 71 m/z (127) 0.95% 0.0466% 3613 0.8 106 44661 2712334 2387789 5-2 15: 71 57 85 41 70 113 55 56 69 42 112 72 98 155 99 0.707 20.36 9.2 62 71 65 71 170 2.1 0.000 4.862 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1004 Nicotine 25.6025 1422.1 >23 scans 94% TIC 0.0057% 12.5% 3679 0.2 1476 7370906 731170870 698760682 0-2 0.998 25.89 265.1 80 99 98 99 162 416.5 7.962 -0.290 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN GLAU_R~1-N1080 ?? Solanone 25.8061 1428.9 7.8 scans 18% 93 m/z (85) 2.2% 0.0108% 3713 0.8 67 18826 628492 562559 3-2 5: 93 136 121 94 194 0.678 25.78 273.6 65 92 67 92 194 10.6 2.517 0.029 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5163 1452.7 7.5 scans 14% 267 m/z (96) 4.9% 0.00440% 3833 1.3 44 8654 255957 244879 1-3 17: 267 355 73 154 356 281 357 193 268 401 163 74 152 191 89 223 269 0.470 18.09 411.1 65 94 72 95 355 20.6 21.882 8.424 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0866 1471.7 6.5 scans 36% 221 m/z 1.4% 0.0134% 3930 1.0 87 28482 780458 721603 3-2 20: 221 147 73 281 222 356 223 355 148 282 443 74 267 283 269 207 265 149 323 191 0.816 27.12 296.8 74 96 78 94 355 18.1 4.335 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1881 1475.1 8.0 scans 93% 57 m/z (101) 0.028% 1.11% 3947 0.7 682 1479051 64628346 59382222 2-6 20: 57 71 43 85 41 55 56 70 99 69 84 42 98 113 112 83 127 39 141 97 0.995 27.21 -0.7 99 100 99 100 198 86.5 1.609 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9774 1504.7 13.1 scans 77% 118 m/z 0.20% 0.172% 4081 2.0 224 205912 10057809 9204061 2-2 20: 118 146 145 105 78 119 51 104 117 64 91 63 65 147 77 41 42 89 50 76 0.962 27.93 318.0 79 99 94 98 146 99.8 19.777 0.046 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3859 1520.0 8.6 scans 61% 80 m/z (71) 0.43% 0.0427% 4150 1.1 131 97533 2489185 2343533 2-2 16: 80 171 104 53 170 172 77 78 91 51 103 65 52 173 63 50 0.927 28.39 326.6 75 98 94 98 171 58.0 19.637 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6616 1530.4 8.0 scans 80% 43 m/z 0.080% 0.357% 4197 0.9 394 526859 20810784 18583386 3-11 20: 43 69 41 151 136 107 67 125 93 109 121 81 53 83 39 68 79 108 91 77 0.960 28.67 333.0 79 98 95 98 194 26.1 0.440 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0901 1546.5 7.9 scans 64% TIC 0.15% 0.179% 4269 1.2 305 269936 0.261% 10417106 9933090 15180199 1-0 0.807 29.10 342.6 68 92 87 90 227 6.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5146 1562.5 7.3 scans 67% 73 m/z 0.18% 0.154% 4341 0.9 273 224779 9005725 8400170 2-2 20: 73 281 147 327 282 415 503 341 283 328 221 399 504 148 416 74 417 329 505 325 0.941 29.61 -150.6 79 99 92 98 503 48.7 3.167 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6633 1568.1 9.6 scans 78% 158 m/z 0.021% 1.26% 4366 0.7 687 1973129 73817707 69705407 2-2 20: 158 157 177 130 159 116 117 89 77 63 79 156 90 91 131 78 178 143 104 135 0.861 29.68 355.5 75 93 92 99 158 353.8 26.507 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6645 1568.1 9.3 scans 85% TIC 0.022% 1.27% 4367 0.7 721 1918681 74402132 69481011 2-1 0.960 29.68 355.6 73 93 89 93 192 44.3 0.378 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7578 1571.6 7.8 scans 57% 123 m/z (85) 0.10% 0.133% 4383 1.0 241 416879 7787657 7204432 1-3 12: 123 135 124 107 95 109 81 193 93 165 161 137 0.957 29.77 357.6 77 99 98 99 193 19.6 0.659 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9408 1578.5 8.4 scans 87% TIC 0.074% 0.471% 4413 0.7 446 568775 27396331 25832142 1-1 0.961 29.94 362.1 77 96 96 99 254 12.4 0.078 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3157 1592.6 8.4 scans 37% 57 m/z (112) 0.67% 0.0428% 4477 1.3 145 62426 0.0762% 2490433 2353685 4431920 1-0 19: 57 71 43 85 41 212 56 55 42 99 162 154 69 140 182 141 179 155 100 0.964 30.38 -2.3 84 87 91 93 212 19.3 1.775 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5140 1600.7 8.2 scans 89% 191 m/z 0.014% 0.951% 4511 0.9 642 2861694 55338118 51413741 2-3 20: 191 206 192 57 163 74 91 175 41 115 107 207 77 73 88 128 147 161 105 117 0.994 30.50 375.9 81 100 99 100 206 172.6 7.226 0.016 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8222 1613.6 8.8 scans 40% 124 m/z (71) 0.76% 0.0382% 4563 1.0 122 55587 2226882 2064617 3-4 4: 124 137 180 138 0.967 30.81 384.2 74 96 89 97 180 33.1 7.387 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8877 1616.4 9.4 scans 66% 162 m/z (207) 0.30% 0.142% 4573 1.1 226 137868 8292651 7830529 2-2 20: 162 147 161 105 119 204 148 134 77 106 133 163 51 79 145 131 115 104 103 78 0.945 30.88 0.4 94 96 89 96 204 31.6 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9420 1618.6 8.0 scans 18% 171 m/z (71) 1.3% 0.0136% 4583 1.3 75 32004 793698 742445 2-5 2: 171 172 0.850 30.93 0.6 91 94 81 96 171 45.1 36.341 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2094 1629.9 9.4 scans 71% 111 m/z (85) 0.12% 0.303% 4628 0.8 332 338977 17625900 16432244 2-2 19: 111 109 137 180 67 110 124 152 95 79 77 81 39 112 165 94 93 53 65 0.991 31.18 394.9 75 95 96 99 180 72.6 4.795 0.031 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5122 1642.6 10.2 scans 39% 43 m/z 0.53% 0.0392% 4680 1.2 131 79604 2284569 2053072 2-1 18: 43 98 71 85 57 166 111 151 127 55 41 82 99 39 83 67 107 96 0.642 31.52 -0.1 90 94 70 92 166 28.1 4.610 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8098 1655.1 9.3 scans 20% 175 m/z (168) 3.5% 0.0130% 4730 0.7 69 12055 757881 667679 2-1 15: 175 165 193 147 93 170 135 162 94 81 107 79 327 138 105 0.768 31.80 0.6 67 70 48 93 208 10.1 2.129 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9149 1659.5 8.3 scans 31% TIC 0.86% 0.0318% 4748 0.7 131 48866 1849733 1739705 2-1 0.526 31.92 -0.2 81 88 55 84 219 2.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0571 1665.5 6.6 scans 27% 221 m/z 0.74% 0.0272% 4772 1.0 122 57305 1582448 1491117 2-2 20: 221 73 147 222 295 207 355 341 223 342 296 325 267 148 209 327 191 208 224 268 0.891 32.08 -0.9 96 97 85 97 355 22.3 3.374 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.7 scans 72% 57 m/z (80) 0.26% 0.185% 4802 1.3 255 161592 10781626 9592799 2-1 20: 57 149 105 77 43 71 100 123 85 41 56 137 51 150 183 55 99 70 113 92 0.971 32.24 -0.2 65 67 73 73 226 8.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4391 1681.6 8.8 scans 67% 57 m/z (107) 0.31% 0.124% 4836 0.9 218 136235 7251729 6892495 0-1 19: 57 71 85 56 43 41 197 196 55 99 97 141 127 168 42 83 169 84 111 0.947 32.44 -0.1 92 97 93 96 226 9.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6829 1691.8 8.6 scans 81% 205 m/z (156) 0.52% 0.251% 4878 1.0 318 80737 14617041 14054441 1-1 20: 205 105 91 119 43 93 159 79 107 77 123 162 147 41 187 106 131 145 133 67 0.991 32.67 0.3 95 96 95 98 220 18.5 0.339 0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8618 1699.3 8.0 scans 31% 70 m/z (149) 0.50% 0.0524% 4909 0.9 146 84544 3049790 2696280 10-5 1: 70 0.823 32.87 -0.2 78 89 79 88 186 5.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9296 1702.2 8.2 scans 34% 71 m/z (149) 0.27% 0.0532% 4919 0.6 135 152705 3098902 2748045 4-8 11: 71 43 243 155 72 173 174 89 73 244 215 0.893 32.93 -0.1 93 97 95 99 243 22.4 2.774 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1212 ? Hexadecene 33.0961 1709.2 10.0 scans 30% 111 m/z (112) 2.0% 0.0316% 4948 1.1 105 20502 1841092 1698513 5-3 9: 111 125 196 110 151 163 42 147 130 0.555 33.09 0.5 70 88 52 95 224 5.6 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3134 1718.3 7.5 scans 85% 57 m/z 0.066% 0.445% 4985 0.7 455 634496 25890969 23449474 4-2 20: 57 71 85 43 41 55 99 56 70 69 113 84 226 42 83 98 112 127 97 72 0.970 33.37 -2.5 99 99 96 98 226 53.3 1.377 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8889 1728.2 7.7 scans 33% TIC 1.1% 0.0139% 5082 0.9 111 37671 0.0373% 812561 736742 2169431 0-2 0.643 33.90 -0.1 81 96 79 95 197 23.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2656 1733.6 7.8 scans 42% 57 m/z (173) 0.87% 0.0354% 5146 1.1 125 48397 2063701 1897383 1-1 20: 57 71 85 43 211 98 55 99 182 83 70 113 97 127 56 141 169 183 197 112 0.918 34.27 -0.0 88 92 91 96 211 22.6 3.276 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3606 1734.9 8.7 scans 94% 355 m/z 0.011% 3.41% 5162 0.8 1190 3556399 198637440 187018213 2-2 20: 355 73 147 401 357 282 222 402 403 283 74 148 358 223 385 416 75 191 328 131 0.993 34.39 451.9 81 100 99 100 415 147.6 1.539 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8765 1742.3 19.4 scans 88% 91 m/z 0.019% 2.35% 5249 0.2 717 2213456 137202983 135187937 0-1 20: 91 155 199 90 65 184 92 120 44 89 137 63 106 39 77 64 51 134 200 109 0.994 34.79 453.3 80 99 98 99 199 206.4 8.290 0.091 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9061 1742.7 8.0 scans 30% 68 m/z (91) 0.66% 0.0767% 5254 1.2 182 63564 4462582 4269377 1-4 2: 68 224 0.904 34.90 0.0 84 86 87 97 224 23.2 1.632 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3512 1749.1 8.3 scans 56% 55 m/z (171) 0.44% 0.132% 5330 0.9 226 94387 7718424 6890949 6-1 20: 55 69 126 56 95 81 41 70 111 82 96 83 67 137 109 112 97 110 196 42 0.826 35.35 451.7 73 97 86 99 196 23.4 1.073 0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6953 1754.0 8.7 scans 32% 123 m/z (151) 0.58% 0.0457% 5389 1.0 131 71991 2658112 2432539 3-1 14: 123 193 195 124 165 175 210 167 77 131 133 152 149 194 0.917 35.70 451.3 70 93 84 93 224 7.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1016 Octadecane 37.3005 1777.0 9.8 scans 63% 71 m/z (150) 0.44% 0.136% 5660 1.1 208 94555 0.187% 7948433 7226165 10876235 0-3 19: 71 85 57 43 99 113 41 84 55 127 56 69 70 141 169 155 111 211 72 0.951 38.91 -23.0 81 86 95 86 254 3.7 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.3 scans 63% 57 m/z 0.28% 0.0996% 5788 0.9 222 149355 5796350 5391707 2-2 20: 57 71 85 43 56 41 99 55 224 113 69 127 225 141 70 83 98 42 84 72 0.908 38.06 448.1 77 97 90 97 225 44.9 4.087 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5596 1795.0 9.3 scans 91% 73 m/z 0.028% 1.44% 5874 1.0 739 1494032 84201067 77815561 2-3 20: 73 429 147 221 355 430 281 341 431 207 356 222 401 357 74 148 342 295 282 267 0.986 38.59 446.9 80 100 98 100 429 219.3 8.798 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4422 1866.0 8.4 scans 33% TIC 0.84% 0.0169% 6023 1.0 105 50317 987926 898188 1-3 0.692 39.45 504.5 70 96 67 94 256 18.2 2.991 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.7686 1906.5 7.9 scans 91% 68 m/z 0.067% 1.08% 6078 0.7 703 630636 62966698 57113517 2-2 20: 68 95 82 123 69 57 81 55 43 83 67 41 97 71 96 109 124 111 79 85 0.995 39.94 537.4 80 99 99 99 278 38.4 0.298 -0.167 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8820 1920.5 7.8 scans 66% 58 m/z 0.43% 0.101% 6098 1.0 225 96973 5925731 5448373 1-4 14: 58 43 71 59 55 109 95 110 124 96 81 123 250 56 0.924 39.88 552.2 76 97 93 96 250 24.9 1.224 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3076 1973.3 8.1 scans 46% 149 m/z 0.12% 0.0687% 6170 0.8 174 334891 4000457 3723695 2-1 13: 149 104 205 76 223 150 167 93 65 121 105 82 50 0.803 40.31 598.4 77 99 78 98 223 42.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1254 ?? Phytol 40.8560 2041.3 >7 scans 39% TIC 2.1% 0.0116% 6262 0.0 103 19604 0.0246% 679484 646535 1430777 1-0 0.840 40.87 -1.4 67 72 63 72 278 10.3 1.004 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9888 2057.7 7.8 scans 27% 138 m/z 1.2% 0.0207% 6285 1.1 105 34014 1207842 1057764 2-2 14: 138 120 109 69 121 124 139 65 93 262 247 82 39 140 0.649 41.00 671.9 73 99 74 98 262 16.1 2.365 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2380 2088.6 8.0 scans 86% 79 m/z (253) 0.17% 0.334% 6327 1.0 377 238810 0.344% 19476911 18475727 20007619 1-4 20: 79 67 93 95 80 91 55 108 121 41 81 77 94 107 135 87 59 78 122 69 0.981 41.26 -2.4 96 97 98 100 264 26.7 0.500 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4428 2114.0 8.1 scans 78% 205 m/z 0.29% 0.264% 6362 0.8 345 145851 15380392 14478961 2-2 20: 205 217 57 175 189 220 177 55 232 41 261 91 203 191 192 206 135 161 77 115 0.919 41.49 -82.6 84 99 93 99 276 22.5 0.425 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8365 2138.8 8.7 scans 46% 57 m/z (74) 1.4% 0.0426% 6428 0.9 128 29658 2481711 2284290 1-1 20: 57 43 84 70 97 55 41 69 83 125 112 99 56 141 140 96 111 124 68 253 0.919 41.48 19.8 66 74 85 77 268 2.0 0.000 0.354 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0314 2149.8 9.3 scans 95% 74 m/z 0.011% 3.07% 6462 0.5 1088 3590243 178947232 169629829 2-2 20: 74 87 143 55 43 75 227 270 41 69 57 239 83 129 185 59 171 97 199 101 0.995 42.01 747.8 80 99 99 99 272 27.6 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3360 2166.9 7.5 scans 71% 73 m/z 0.28% 0.103% 6513 0.9 221 149891 6013571 5588102 2-3 20: 73 147 281 221 355 429 503 341 207 282 283 504 74 148 415 505 327 342 357 267 0.932 42.37 757.9 75 94 91 98 503 38.8 3.090 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2864 2220.2 12.6 scans 12% 240 m/z (159) 11% 0.00297% 6674 0.0 39 3567 0.00532% 173114 173114 309420 0-0 20: 240 91 278 185 264 131 203 128 143 117 187 145 103 57 129 115 92 173 132 77 0.444 43.31 -1.2 69 84 36 80 278 8.2 4.423 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.7 9.0 scans 48% 71 m/z (205) 1.4% 0.0324% 6769 1.0 109 28628 1887000 1702006 3-1 19: 71 85 43 127 99 267 55 69 113 41 126 183 239 266 70 83 141 97 86 0.885 43.94 -5.0 68 82 86 84 282 5.5 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.2823 2276.6 7.3 scans 69% 221 m/z 0.54% 0.0518% 6843 1.0 159 77508 3013555 2826967 2-3 20: 221 73 147 295 281 207 222 369 296 297 223 355 148 341 149 282 371 265 283 370 0.892 40.63 896.5 75 98 90 98 369 29.6 3.459 3.649 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7882 2363.3 7.7 scans 42% 73 m/z 1.3% 0.0193% 7098 1.1 94 31411 1127035 1049074 3-1 20: 73 355 147 221 356 281 207 357 415 223 222 148 341 74 327 295 283 401 205 504 0.760 45.78 0.7 93 95 73 93 503 10.4 1.223 0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1026 Methyl stearate 45.9252 2371.2 8.2 scans 87% 74 m/z 0.029% 1.15% 7121 0.9 700 1451489 67276170 61259482 2-5 20: 74 87 43 143 255 75 55 298 57 69 41 199 83 97 101 71 59 88 56 185 0.979 45.92 892.5 80 99 99 99 298 120.1 2.946 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1117 2381.9 8.7 scans 85% 79 m/z (84) 0.078% 0.822% 7153 0.9 563 541085 47816739 44322062 2-4 20: 79 67 95 93 80 108 81 91 55 41 107 94 77 121 135 78 149 109 122 59 0.984 46.13 -1.3 93 94 95 98 292 43.2 0.590 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7575 2419.1 8.1 scans 86% TIC 0.13% 0.237% 7262 1.1 326 325798 13797005 12828074 3-3 0.953 46.76 924.0 79 99 97 99 298 60.4 3.440 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5055 2462.1 7.7 scans 33% 138 m/z (135) 3.8% 0.00849% 7388 0.9 58 10895 493898 428156 10-2 8: 138 120 121 139 92 168 122 306 0.737 47.50 949.3 73 98 81 96 168 8.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9264 2543.9 7.9 scans 59% TIC 1.5% 0.0174% 7630 1.6 89 28089 1016514 937109 2-5 0.786 48.95 993.5 71 96 76 97 429 26.4 8.886 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3527 2626.0 8.1 scans 88% TIC 0.19% 0.181% 7871 1.1 282 223367 10562970 10088794 1-5 0.935 50.36 1039.0 77 99 95 99 326 57.0 4.096 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8444 2711.8 8.2 scans 46% 73 m/z 1.8% 0.0126% 8124 1.1 74 22599 736600 654525 3-4 19: 73 147 429 221 355 295 503 281 356 430 207 504 297 223 401 415 327 74 267 0.659 51.86 1080.9 74 98 66 95 503 13.2 3.214 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0868 770.7 6.5 scans 75% 77 m/z 0.095% 0.119% 34 2.9 227 485219 6116874 4970434 1-5 13: 77 45 78 79 62 76 59 75 63 47 46 92 83 0.984 4.37 16.7 100 100 98 100 77 196.2 74.594 -0.284 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5839 835.7 16.3 scans 73% 207 m/z 0.62% 0.0398% 457 3.2 101 74103 2044850 1861530 2-1 19: 207 97 208 177 191 96 133 210 178 119 192 165 103 147 135 89 105 115 149 0.881 6.53 -141.1 80 100 87 99 207 76.7 57.900 0.056 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1042 ?? Nonane 6.7444 839.8 >9 scans 20% TIC 8.8% 0.00153% 484 3.0 40 5199 78716 69437 0-2 0.743 9.06 -60.2 64 79 59 78 128 2.9 0.000 -2.313 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6890 864.4 8.8 scans 96% 55 m/z 0.11% 0.705% 644 1.5 521 402120 36198843 33421571 1-5 20: 55 69 41 83 39 42 57 98 70 97 56 43 80 53 54 79 40 68 51 38 0.995 7.71 9.1 100 99 99 100 98 104.9 4.052 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8715 999.4 11.7 scans 26% 193 m/z (281) 0.71% 0.0437% 1520 2.4 105 64483 2244749 2157034 0-2 18: 193 235 284 203 76 177 115 249 75 192 133 266 119 63 110 57 109 147 0.865 12.22 53.1 86 97 81 99 281 71.5 46.193 0.651 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2570 1009.8 9.5 scans 85% 81 m/z 0.20% 0.133% 1587 1.6 225 222377 6864051 6063567 2-3 20: 81 110 53 39 79 67 41 68 77 65 82 51 95 50 66 55 40 54 52 91 0.971 13.22 46.2 91 96 95 99 110 66.0 8.617 0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1040 Decane 13.3774 1013.0 8.2 scans 65% TIC 0.90% 0.0255% 1608 1.2 130 50861 1310053 1167828 1-2 0.944 12.90 13.0 98 98 92 98 142 19.8 2.331 0.479 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1022 ?? Octanal 13.4866 1016.0 8.2 scans 55% 44 m/z (71) 4.4% 0.0199% 1626 1.4 93 10287 1026111 957185 0-2 19: 44 84 56 57 41 55 82 69 68 42 85 39 67 100 58 110 83 95 99 0.948 12.96 -158.8 67 92 88 96 110 6.6 0.000 0.532 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 14.3538 1039.5 8.2 scans 61% 57 m/z (81) 1.2% 0.0238% 1773 1.3 103 36480 1226684 1087658 2-1 17: 57 41 70 55 83 43 56 98 69 84 42 112 58 71 40 72 99 0.968 18.83 -13.2 64 64 69 74 122 1.9 0.000 -4.476 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5533 1044.9 12.0 scans 64% 79 m/z 1.0% 0.0430% 1807 1.9 117 42329 2210285 2047557 1-3 18: 79 108 107 77 91 51 80 65 78 89 52 63 50 75 38 62 76 106 0.885 14.11 65.9 88 99 87 99 108 55.3 22.316 0.444 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8851 1053.9 9.4 scans 91% 91 m/z 0.061% 0.331% 1863 1.4 350 746661 17014499 15409633 2-5 20: 91 92 120 65 63 39 89 51 62 50 121 93 64 66 38 74 52 61 90 41 0.980 14.44 69.1 88 100 98 100 120 113.9 10.590 0.443 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5592 1072.2 >14 scans 83% 105 m/z 0.11% 0.254% 1977 1.2 300 404681 0.416% 13040053 12475235 21356066 2-0 19: 105 77 123 51 46 106 50 78 124 76 79 52 75 74 94 64 49 104 38 0.982 15.17 74.8 87 100 98 99 123 107.8 12.962 0.389 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN 98-86-2 ? Acetophenone 15.6443 1074.5 10.7 scans 68% 105 m/z 0.13% 0.176% 1992 1.2 274 330753 0.297% 9078124 8612684 15246999 0-2 20: 105 77 120 51 106 78 50 43 121 74 76 63 62 75 39 91 65 52 49 104 0.976 15.29 -171.2 79 98 97 99 120 96.6 12.425 0.351 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7865 1078.3 9.3 scans 61% 95 m/z (55) 0.54% 0.0767% 2016 1.8 168 84793 3942532 3639480 1-4 13: 95 81 124 79 109 91 53 119 65 82 96 66 63 0.955 15.43 76.6 71 82 84 99 124 47.2 7.946 0.354 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.5416 1098.8 >2 scans 8.0% 132 m/z 13% 0.00111% 2144 1.0 28 3386 57229 54396 1-0 4: 132 61 58 133 0.689 16.25 -175.8 65 92 60 90 132 16.4 34.807 0.288 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1084 Pentadecane 16.8715 1112.0 8.3 scans 67% 71 m/z 0.69% 0.0551% 2200 1.0 166 66778 0.0584% 2829066 2596050 2998063 0-3 17: 71 57 43 85 41 84 70 55 113 56 127 69 112 42 99 98 86 0.875 24.54 -25.3 82 86 82 84 169 0.0 0.000 -7.670 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1002 Undecane 16.8963 1113.1 7.0 scans 31% 156 m/z (105) 1.5% 0.0141% 2203 0.9 96 29709 0.0240% 728565 728565 1232081 0-0 1: 156 0.581 16.59 13.1 88 94 56 96 156 12.4 1.650 0.309 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0540 1119.7 8.5 scans 60% 57 m/z 0.45% 0.153% 2230 1.5 261 101442 7879290 6988137 3-4 20: 57 41 56 55 43 98 70 44 69 82 68 81 95 96 67 39 42 83 54 114 0.731 16.82 97.3 74 95 72 94 124 17.6 0.000 0.239 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0540 1119.7 8.5 scans 81% 57 m/z (71) 0.35% 0.229% 2230 1.5 305 131386 11767284 10436395 3-4 20: 57 41 56 55 43 98 70 44 69 82 68 81 95 96 67 39 42 83 54 114 0.988 16.82 -171.7 75 97 96 97 124 20.5 0.454 0.239 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2612 1170.7 8.8 scans 67% 73 m/z 0.61% 0.0474% 2435 1.5 143 74848 2436886 2239709 2-2 20: 73 355 267 356 268 357 269 251 339 74 207 193 223 237 249 323 191 359 163 59 0.863 18.13 -161.0 78 99 84 98 355 59.8 17.539 0.130 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN M4942-N1002 ? Pyranone 18.3982 1176.5 9.8 scans 77% 144 m/z (135) 0.67% 0.0760% 2458 1.3 168 68339 3906107 3666437 1-4 13: 144 43 101 44 72 73 55 45 53 145 58 102 116 0.950 20.04 -214.0 77 99 96 99 144 73.6 19.291 -1.644 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.3982 1176.5 9.8 scans 71% 144 m/z 0.64% 0.0638% 2458 1.3 161 71876 3275687 3074698 1-4 13: 144 43 101 44 72 73 55 45 53 145 58 102 116 0.927 18.22 133.0 79 99 91 98 144 71.4 19.610 0.177 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 19.1721 1209.2 8.8 scans 14% 71 m/z (134) 1.1% 0.0449% 2589 1.1 133 40073 2307613 2057104 4-2 9: 71 57 127 99 126 170 113 155 72 0.932 29.94 -7.2 77 82 85 82 254 0.0 0.000 -10.769 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1004 ?? Octanoic acid 19.5127 1223.6 >3 scans 26% 108 m/z (114) 0.66% 0.0357% 2647 0.5 185 69497 0.0593% 1834947 1834947 3044266 0-0 3: 108 116 46 0.639 19.87 155.3 61 87 70 89 144 3.4 0.000 -0.358 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1266 ? Octanoic acid 19.7624 1234.1 >21 scans 92% TIC 0.14% 1.00% 2689 0.1 463 308859 51354423 47611258 1-4 0.994 22.03 -75.0 79 90 92 99 175 0.0 0.000 -2.272 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9554 1242.3 7.9 scans 46% 57 m/z (82) 1.8% 0.0186% 2722 1.2 91 24959 955798 866869 1-4 12: 57 45 75 89 100 87 72 59 62 131 44 88 0.952 19.81 174.8 73 97 92 99 144 0.0 0.000 0.141 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4537 1261.7 8.2 scans 93% 57 m/z (121) 0.064% 0.588% 2806 0.9 512 717400 30187692 27739660 2-3 20: 57 43 71 85 41 56 55 70 170 42 84 98 99 69 112 39 113 58 127 72 0.999 20.32 4.0 99 100 100 100 170 67.0 1.716 0.134 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6567 1267.8 8.2 scans 77% 57 m/z 0.65% 0.119% 2841 0.9 236 70441 6138050 5603787 3-2 20: 57 41 55 70 43 82 71 68 83 44 56 67 112 81 69 84 42 39 54 45 0.945 20.56 189.1 77 98 94 99 128 24.5 0.000 0.094 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1034 ? Decanal 20.6567 1267.8 8.2 scans 80% 57 m/z (110) 0.64% 0.134% 2841 0.9 241 71748 6905813 6304723 3-2 20: 57 41 55 70 43 82 71 68 83 44 56 67 112 81 69 84 42 39 54 45 0.973 20.57 -139.2 75 97 97 99 138 13.3 0.304 0.088 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.1048 1281.3 10.2 scans 85% 94 m/z 0.030% 0.797% 2917 0.7 554 1494689 40953268 36884784 1-5 20: 94 138 77 95 66 51 65 107 39 45 79 78 50 139 63 93 40 38 76 74 0.986 20.98 196.3 79 98 96 99 152 0.0 0.000 0.122 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1024 ? Hexadecane 21.1922 1283.9 >8 scans 71% TIC 0.57% 0.0722% 2931 2.1 199 80095 3707259 3394913 0-2 0.981 33.32 16.9 74 72 85 82 226 0.0 0.000 -12.127 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3781 1289.5 9.3 scans 13% 281 m/z 1.7% 0.00891% 2963 1.7 59 26866 457803 416430 2-1 16: 281 282 191 283 265 194 266 208 284 193 209 165 147 195 179 223 0.661 12.25 136.4 76 97 61 96 281 46.2 62.177 9.127 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.1131 1311.5 8.2 scans 91% TIC 0.019% 0.915% 3087 0.9 654 2313143 46975981 42570729 4-2 0.979 22.01 211.1 80 100 99 100 190 174.7 7.140 0.103 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.6556 1357.8 18.8 scans 61% 73 m/z 0.24% 0.303% 3349 0.2 287 192153 15604350 13659202 2-4 20: 73 60 129 41 57 55 115 98 43 61 69 39 87 45 101 42 56 83 96 158 0.792 22.70 -117.5 75 97 81 98 158 21.1 0.542 0.960 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1016 ?? Nicotine 23.6556 1357.8 16.7 scans 28% TIC 0.61% 0.118% 3349 0.2 194 75553 6098169 5468335 0-3 0.376 25.35 208.6 64 91 37 92 162 0.0 0.000 -1.698 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8971 1365.2 10.3 scans 60% 57 m/z (99) 0.55% 0.0949% 3389 1.0 175 82810 4872075 4310545 2-3 19: 57 71 85 43 41 83 56 70 184 98 112 58 39 97 141 44 125 86 185 0.798 23.86 1.2 86 92 88 91 184 20.2 1.324 0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1356 1373.1 7.2 scans 54% 73 m/z 0.26% 0.0961% 3430 1.0 230 176057 4935030 4652436 2-2 20: 73 341 429 342 147 325 343 430 431 74 207 327 344 251 45 148 191 223 326 193 0.932 24.17 -150.7 79 99 92 99 429 63.6 7.638 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7666 1394.2 10.2 scans 64% 43 m/z (69) 0.51% 0.0953% 3537 1.1 183 89515 4892988 4456087 2-2 19: 43 83 41 55 142 82 58 56 113 111 39 70 85 128 67 127 68 112 93 0.945 24.70 254.6 73 96 94 97 170 6.8 0.000 0.071 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2643 1410.8 7.2 scans 50% 43 m/z 0.16% 0.0753% 3621 0.9 202 279956 3866602 3453559 4-3 16: 43 103 145 116 115 86 73 42 127 44 74 61 146 104 98 155 0.917 25.24 -149.1 78 98 96 100 145 71.5 12.556 0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5813 1421.4 >24 scans 95% 84 m/z 0.0066% 10.8% 3675 0.3 1466 6971559 556092273 536906123 0-2 20: 84 133 162 161 92 118 130 117 134 51 91 120 77 55 105 41 106 93 132 64 0.993 25.89 264.4 79 98 97 98 162 401.2 7.486 -0.311 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8304 1429.8 7.4 scans 54% 93 m/z 0.31% 0.0866% 3717 1.0 222 148534 4447487 4032484 2-2 19: 93 121 43 136 91 79 77 194 41 94 81 95 67 123 70 111 107 108 39 0.791 25.78 274.5 74 97 80 96 194 34.4 2.407 0.053 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1091 1472.5 6.9 scans 15% 221 m/z 3.0% 0.00758% 3933 1.0 67 14974 389512 362206 4-2 15: 221 73 147 281 189 355 443 282 207 222 223 356 283 191 357 0.697 27.12 297.6 72 95 72 94 355 13.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2224 1476.3 8.3 scans 92% 57 m/z 0.027% 1.44% 3953 0.6 821 1709793 74186846 67485800 2-6 20: 57 71 43 85 41 55 56 70 99 69 84 198 42 98 113 112 127 83 126 141 0.994 27.21 0.5 100 99 99 99 198 103.6 1.592 0.013 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0081 1505.8 21.6 scans 52% 118 m/z 0.75% 0.0396% 4086 0.9 132 61430 0.0764% 2034714 2000835 3922124 1-0 20: 118 146 145 105 42 63 51 104 62 78 39 119 59 50 71 89 61 64 68 52 0.894 27.93 319.1 75 95 85 97 146 60.8 21.152 0.077 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4107 1521.0 8.6 scans 63% 80 m/z (71) 0.42% 0.0564% 4154 1.1 158 109832 2900137 2728817 2-2 16: 80 171 104 53 170 172 78 77 91 51 81 65 103 89 167 115 0.954 28.39 327.6 76 98 96 99 171 68.8 19.023 0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6823 1531.2 8.3 scans 86% TIC 0.061% 0.576% 4200 0.8 523 757175 29617867 27373030 3-1 0.971 28.67 333.8 79 99 96 98 194 33.5 0.410 0.015 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1085 1547.2 8.1 scans 50% TIC 0.17% 0.178% 4272 1.1 322 269144 0.286% 9138134 8565927 14682296 2-0 0.643 29.10 343.3 69 97 75 94 227 7.7 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1034 ? Contamination 29.52min 29.5229 1562.8 7.2 scans 72% 73 m/z (69 156) 0.18% 0.184% 4342 1.0 310 251113 9448854 8828104 6-3 20: 73 281 147 327 282 341 283 415 503 221 148 328 399 74 329 416 325 207 342 504 0.968 29.52 352.7 76 99 96 99 503 43.1 1.937 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5229 1562.8 7.2 scans 68% 73 m/z 0.18% 0.168% 4342 1.0 302 251265 8654645 8086071 6-3 20: 73 281 147 327 282 341 283 415 503 221 148 328 399 74 329 416 325 207 342 504 0.955 29.61 -150.3 79 99 94 99 503 43.4 2.057 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1022 ? Nicotyrine 29.6770 1568.6 10.1 scans 64% 158 m/z 0.042% 0.772% 4369 0.8 548 1084720 39674402 37210649 2-6 20: 158 157 177 130 159 116 117 89 77 63 156 90 105 131 178 78 104 91 143 51 0.825 29.68 356.0 76 96 90 99 158 293.3 28.683 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6770 1568.6 10.1 scans 83% 158 m/z (43) 0.042% 1.03% 4369 0.8 621 1079547 53219092 49914223 2-6 20: 158 157 177 130 159 116 117 89 77 63 156 90 105 131 178 78 104 91 143 51 0.980 29.68 356.1 70 92 86 92 192 38.2 0.379 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7721 1572.2 7.8 scans 37% 123 m/z (85) 0.17% 0.0808% 4385 1.1 197 261889 4149003 3888019 1-2 10: 123 135 124 107 95 109 193 165 122 175 0.838 29.77 358.2 74 98 81 98 193 18.5 0.884 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3340 1593.3 7.8 scans 37% 57 m/z (112) 0.63% 0.0495% 4480 1.0 167 72203 0.100% 2543534 2543534 5133670 0-0 20: 57 71 43 85 41 212 56 55 70 98 126 169 140 99 83 69 151 44 154 213 0.945 30.38 -1.6 85 91 93 92 212 22.1 1.749 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5212 1601.0 8.5 scans 89% 191 m/z 0.012% 1.48% 4512 0.8 834 3756796 76092589 71726097 2-4 20: 191 206 192 57 163 74 91 175 41 115 107 77 207 73 147 161 105 117 121 119 0.992 30.50 376.2 81 100 99 100 206 223.3 7.167 0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8364 1614.2 8.7 scans 46% 124 m/z (71) 0.68% 0.0563% 4565 1.1 155 67017 2894550 2711522 3-3 7: 124 137 180 138 54 96 181 0.985 30.81 384.8 76 97 94 99 180 39.8 6.592 0.029 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8895 1616.4 9.1 scans 59% 162 m/z (104) 0.41% 0.107% 4574 1.1 212 111071 5541881 5329400 1-2 18: 162 147 161 105 119 134 204 91 77 163 115 133 145 51 103 131 79 65 0.960 30.88 0.4 90 93 85 93 204 30.4 2.067 0.010 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9533 1619.1 8.9 scans 6.4% 171 m/z (71) 3.8% 0.00572% 4585 1.7 46 12012 293658 265793 3-4 2: 171 172 0.544 30.93 1.1 85 94 74 93 171 30.9 44.361 0.026 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2184 1630.3 9.1 scans 62% 111 m/z (85) 0.20% 0.229% 4630 1.0 303 222057 11785670 10892091 2-2 19: 111 109 137 180 67 110 124 152 95 79 81 77 39 65 93 165 91 51 225 0.988 31.18 395.3 72 92 94 99 180 64.8 4.566 0.040 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5360 1643.6 10.8 scans 47% 43 m/z 0.46% 0.0654% 4684 0.9 170 99459 3361022 3167296 1-1 19: 43 71 98 57 111 166 55 151 41 113 99 82 107 83 58 67 169 123 39 0.667 31.52 0.9 87 93 72 91 166 33.0 3.754 0.021 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.7626 1653.1 7.6 scans 22% 57 m/z (84) 2.2% 0.0148% 4722 1.2 86 20374 762961 674447 1-1 19: 57 71 43 127 98 154 85 342 55 179 211 99 41 70 155 113 267 72 191 0.643 31.63 5.4 63 80 63 82 429 8.5 0.973 0.129 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9203 1659.8 7.8 scans 56% TIC 0.66% 0.0515% 4749 0.8 178 69904 2644647 2501838 3-0 0.804 31.92 0.1 76 81 63 81 219 3.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2390 1673.1 9.4 scans 72% 57 m/z (157) 0.35% 0.147% 4803 0.9 252 129309 7592739 7324688 1-0 20: 57 149 105 43 71 85 77 41 183 99 100 56 123 55 113 182 70 211 42 127 0.976 32.24 0.0 78 79 85 88 226 10.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4451 1681.8 >12 scans 56% 57 m/z (69) 0.58% 0.0941% 4838 0.9 181 78789 4833718 4442436 1-1 19: 57 71 85 56 197 43 196 41 55 113 99 70 169 122 42 83 168 97 58 0.930 32.44 0.1 86 93 87 92 226 6.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6889 1692.1 8.5 scans 74% 205 m/z 0.89% 0.160% 4879 0.9 285 51769 8246627 7922788 1-2 20: 205 105 91 119 43 93 159 79 107 162 147 41 77 187 131 149 121 106 117 123 0.929 32.67 0.6 96 97 92 97 220 17.2 0.366 0.014 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8725 1699.8 7.6 scans 25% 70 m/z (149) 1.5% 0.0291% 4909 1.0 116 30604 0.0298% 1494767 1333955 1529834 4-5 2: 70 201 0.799 32.87 0.3 71 82 82 85 186 2.9 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9392 1702.6 8.4 scans 16% 71 m/z (149) 1.0% 0.0155% 4921 0.7 75 44653 799103 724247 1-1 3: 71 72 143 0.706 32.93 0.3 82 96 85 95 243 13.0 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1212 ?? Hexadecene 33.0909 1708.9 8.0 scans 32% 57 m/z (179) 3.8% 0.0228% 4947 1.1 104 11977 1172014 1041557 1-1 20: 57 97 83 147 43 41 55 71 69 70 85 56 129 84 125 98 99 112 67 165 0.867 33.09 0.2 69 79 81 85 224 4.9 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3176 1718.5 7.6 scans 89% 57 m/z 0.083% 0.434% 4985 0.8 480 554693 22283274 21316826 5-1 20: 57 71 43 85 41 55 99 56 70 69 113 84 42 83 98 127 112 97 141 126 0.988 33.37 -2.3 100 99 99 99 226 52.7 1.208 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8388 1727.5 8.5 scans 9.6% 217 m/z 1.0% 0.0125% 5073 1.2 75 42641 645334 577991 6-2 9: 217 232 218 233 128 201 189 87 157 0.730 33.83 452.8 69 93 57 92 232 35.8 22.497 0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8937 1728.2 7.8 scans 30% 71 m/z 1.0% 0.0220% 5083 0.9 126 44351 0.0270% 1134207 1134207 1386091 0-0 18: 71 43 57 70 85 197 41 99 55 108 196 56 127 141 113 195 164 42 0.647 33.90 -0.1 78 88 73 86 197 27.2 4.688 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2763 1733.7 7.4 scans 25% 57 m/z (111) 2.5% 0.0138% 5147 1.3 85 18048 713328 689102 1-0 18: 57 71 84 43 85 162 98 183 211 41 127 141 69 121 202 82 97 182 0.803 34.27 0.1 83 91 85 93 211 14.5 2.879 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3979 1735.5 13.8 scans 96% TIC 0.011% 7.32% 5168 0.4 1484 4093475 376027314 366738716 2-1 0.996 34.39 452.5 81 100 99 100 415 167.2 1.270 0.009 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.9144 1742.8 8.4 scans 1.2% 68 m/z (163) 2.2% 0.0223% 5256 1.3 95 20538 1149223 1041366 3-2 3: 68 178 224 0.628 34.90 0.1 67 81 62 92 224 14.3 2.256 0.013 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 35.0183 1744.3 >20 scans 91% 91 m/z 0.015% 4.00% 5274 0.1 950 3035018 205515450 190879234 1-1 20: 91 155 90 65 89 44 92 120 137 63 106 77 39 64 51 156 134 121 107 109 0.995 34.79 455.3 80 100 99 99 199 269.4 8.050 0.232 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3577 1749.2 8.5 scans 57% 43 m/z (169) 0.72% 0.115% 5331 0.8 220 63971 5905822 5192586 8-0 20: 43 55 56 69 95 81 126 70 41 111 82 83 137 67 96 109 110 112 98 140 0.982 35.35 451.8 71 91 96 99 196 11.2 0.261 0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7173 1754.3 8.7 scans 22% 123 m/z (57) 1.1% 0.0272% 5392 1.1 107 40835 1398767 1278940 2-2 8: 123 193 191 124 175 131 121 194 0.821 35.70 451.6 68 93 71 92 224 6.1 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4853 1765.3 7.1 scans 9.2% 221 m/z 1.6% 0.0159% 5522 1.1 98 28796 819893 756244 1-1 19: 221 73 147 295 281 207 369 222 355 296 341 223 208 148 74 327 297 282 371 0.813 36.58 448.8 73 96 73 94 369 15.7 2.576 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2049 1775.6 8.3 scans 4.7% 209 m/z 3.4% 0.00437% 5644 1.0 48 13501 224466 205956 5-1 11: 209 253 224 165 181 167 179 103 194 210 166 0.642 37.20 449.3 65 90 51 88 224 19.8 16.921 0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0556 1787.8 8.9 scans 61% 57 m/z (180) 0.61% 0.0832% 5788 1.0 184 74589 4273064 3913051 1-2 20: 57 71 85 43 56 41 225 99 55 224 113 69 127 70 169 97 83 84 86 197 0.965 38.06 448.1 75 98 97 99 225 31.6 2.926 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5910 1795.4 13.1 scans 96% 73 m/z 0.011% 6.38% 5879 0.3 1425 3960457 328019631 313286818 2-2 20: 73 221 147 341 281 207 222 356 148 74 282 325 267 223 208 191 283 327 432 209 0.985 38.59 447.3 80 99 97 99 429 381.9 7.190 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8271 1798.8 10.4 scans 55% 57 m/z (135) 0.69% 0.0658% 5919 0.7 156 66212 3379907 3109828 1-2 17: 57 71 85 43 154 41 99 56 254 70 113 58 72 42 141 84 98 0.929 38.91 -1.2 89 95 89 92 254 13.4 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4381 1865.5 7.5 scans 11% 74 m/z 2.6% 0.00528% 6022 1.3 53 17494 271421 260068 5-1 11: 74 87 211 228 102 75 256 229 60 129 185 0.396 39.45 504.0 67 96 39 89 256 11.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7569 1905.0 7.7 scans 87% 68 m/z 0.22% 0.380% 6076 0.9 451 204878 19536320 18135307 1-2 20: 68 95 82 57 123 69 43 55 81 83 67 41 71 97 96 109 124 85 111 79 0.983 39.94 535.9 78 98 97 97 278 20.7 0.211 -0.179 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8820 1920.5 7.3 scans 63% 58 m/z (151) 0.87% 0.0685% 6097 1.0 186 52636 3519320 3298015 1-3 9: 58 43 59 109 95 110 124 123 250 0.973 39.88 552.2 75 99 98 98 250 16.9 0.821 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3035 1972.8 8.0 scans 60% TIC 0.16% 0.0621% 6169 0.9 194 276069 0.0772% 3190797 2684737 3963193 3-2 0.937 40.31 597.9 78 99 94 98 223 42.6 4.826 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN N406_R~1-N1110 ?? Phytol 40.3821 1982.5 7.8 scans 20% 81 m/z (237) 3.4% 0.0148% 6182 1.6 83 13546 0.0177% 764644 760588 908660 0-1 10: 81 82 124 95 123 79 96 109 110 357 0.787 40.66 -34.7 65 82 56 79 278 11.1 1.797 -0.280 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5946 2008.9 7.0 scans 34% 221 m/z 2.0% 0.0127% 6218 1.2 86 22569 656925 616163 2-3 19: 221 73 147 295 207 222 281 223 296 369 283 267 297 265 74 341 282 371 205 0.783 40.63 628.8 73 98 75 96 369 14.2 2.705 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1254 Phytol 40.8437 2039.7 7.7 scans 42% 82 m/z 1.8% 0.0306% 6260 1.1 134 24836 1573530 1474207 1-3 12: 82 81 95 68 123 43 69 79 67 83 96 109 0.643 40.87 -3.0 90 97 71 94 278 17.5 1.714 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2363 2088.4 8.1 scans 69% 79 m/z (217) 0.90% 0.0919% 6327 1.1 203 51299 4722671 4366575 2-1 19: 79 67 93 95 80 55 91 41 108 81 121 94 77 107 87 59 135 122 78 0.963 41.26 -2.6 94 98 96 98 264 13.5 0.443 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5119 2120.6 12.0 scans 91% 205 m/z 0.075% 1.83% 6374 0.3 781 612909 94120197 84931805 2-2 20: 205 217 57 175 189 220 55 232 91 41 261 203 77 135 109 163 206 233 67 133 0.991 41.49 -76.0 87 100 98 100 276 49.7 0.404 0.022 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8307 2138.5 8.5 scans 48% 71 m/z (175) 2.3% 0.0308% 6428 0.9 117 19531 1584787 1446263 1-1 19: 71 57 85 84 43 97 55 125 69 99 41 83 98 155 126 59 121 82 127 0.931 41.48 19.5 65 71 83 75 268 0.0 0.000 0.348 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0037 2148.2 7.9 scans 91% 74 m/z 0.039% 0.873% 6457 0.8 662 1157602 44831273 42451247 2-2 20: 74 87 43 55 143 75 41 227 270 69 57 83 59 129 239 97 101 185 171 199 0.979 42.01 746.2 80 100 98 99 272 15.3 0.053 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3059 2165.2 9.1 scans 91% 73 m/z 0.052% 0.781% 6508 1.1 578 877296 40112263 37394046 2-3 20: 73 147 281 221 207 429 341 282 503 148 74 356 430 295 415 223 357 267 342 431 0.983 42.37 756.2 76 93 96 100 503 76.8 1.763 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.3101 2221.6 11.1 scans 72% 263 m/z (239) 0.40% 0.124% 6678 1.6 188 112890 6372936 5630358 2-4 19: 263 278 264 57 142 147 219 203 110 128 129 161 124 185 235 77 91 187 143 0.910 43.31 0.2 82 85 67 85 278 47.7 6.426 0.003 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1020 ? Icosane 43.8467 2251.7 8.9 scans 45% 71 m/z (205) 2.6% 0.0218% 6769 1.1 94 17569 1124088 989031 1-3 18: 71 85 57 127 43 84 113 126 55 41 70 99 83 267 197 239 69 155 0.870 43.94 -5.0 72 89 86 86 282 4.7 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2836 2276.7 7.0 scans 32% 221 m/z 3.3% 0.00696% 6843 0.9 63 13608 357400 313726 2-4 19: 221 73 295 147 281 222 369 148 265 296 207 282 283 223 355 356 297 74 208 0.705 44.32 829.4 72 99 69 96 369 12.5 3.886 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7771 2362.6 7.9 scans 66% 73 m/z (83) 0.67% 0.0517% 7096 1.2 156 68741 2658186 2436942 2-1 20: 73 147 355 221 356 207 222 357 282 148 281 74 341 295 283 208 267 131 75 430 0.889 45.78 0.0 94 96 88 96 503 11.1 0.509 0.001 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1026 Methyl stearate 45.9093 2370.3 8.0 scans 85% TIC 0.15% 0.258% 7118 1.5 346 305469 13284000 12388486 1-3 0.966 45.92 891.6 80 100 97 99 298 52.3 2.284 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0965 2381.0 8.0 scans 81% 79 m/z 0.30% 0.211% 7150 1.1 322 150216 10860203 10482177 1-5 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 109 69 135 78 59 149 0.917 46.13 -2.2 96 98 92 98 292 22.1 0.472 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.6207 2411.2 7.7 scans 25% 155 m/z (79) 12% 0.00392% 7239 0.9 43 3774 201251 182032 1-0 14: 155 127 57 85 99 111 113 71 83 43 112 70 84 86 0.776 46.28 19.5 65 75 68 71 296 0.0 0.000 0.339 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7564 2419.0 7.8 scans 69% 74 m/z (65) 0.83% 0.0441% 7262 0.9 144 55349 2268028 2054852 2-4 18: 74 87 143 75 43 298 55 83 41 88 69 97 129 101 59 227 255 269 0.948 46.76 923.9 77 99 95 98 298 24.4 2.871 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9170 2543.4 7.9 scans 62% 73 m/z 1.7% 0.0163% 7628 1.3 89 27052 841047 774628 2-5 20: 73 147 221 355 429 281 207 431 282 357 295 432 283 415 401 205 149 208 133 327 0.773 48.95 993.0 74 97 76 98 429 22.8 6.595 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3516 2625.9 8.2 scans 76% 74 m/z (73) 1.3% 0.0301% 7871 1.1 116 34803 1546043 1429718 2-5 20: 74 87 43 75 143 185 55 57 41 97 69 83 283 199 88 59 157 71 326 85 0.891 50.36 1038.9 74 97 90 96 326 20.9 3.270 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8392 2711.5 8.3 scans 61% 73 m/z 2.1% 0.0139% 8123 1.0 80 21480 714078 680110 2-4 20: 73 147 221 355 429 222 207 341 295 357 503 282 283 148 504 281 430 223 267 296 0.776 51.86 1080.6 74 96 75 94 503 10.2 1.627 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\Blab_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6025 2870.5 9.4 scans 55% 147 m/z (208) 3.7% 0.0104% 8591 1.7 63 12294 538532 474207 2-5 16: 147 356 281 282 430 296 74 205 295 222 415 149 342 223 429 369 0.739 45.81 1394.0 69 96 77 94 503 7.2 1.294 8.791 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1704 772.8 20.1 scans 43% 77 m/z (72) 1.1% 0.145% 48 3.9 37 13962 286089 257715 11-1 7: 77 74 78 76 62 46 59 0.839 4.37 18.8 90 99 84 98 77 34.2 86.350 -0.201 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1016 ?? Pivalic acid 6.0459 821.7 8.4 scans 51% 57 m/z (58) 2.7% 0.0642% 366 1.6 29 5774 126263 105090 1-4 8: 57 41 87 59 42 39 102 84 0.851 6.03 -139.9 65 91 78 89 102 1.8 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1014 Contamination 6.52min 6.5176 833.9 9.3 scans 79% 207 m/z 0.20% 0.801% 446 2.4 103 75745 1575336 1397395 1-4 20: 207 208 96 209 191 133 132 119 177 176 147 193 163 103 192 210 75 161 61 189 0.862 6.53 -142.9 80 100 85 99 207 79.6 59.830 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKSTART-N1002 Contamination 12.22min 12.2113 982.2 7.2 scans 84% 281 m/z 0.060% 2.60% 1410 1.7 219 262584 5115934 4357330 2-6 20: 281 282 283 265 249 133 193 191 73 207 284 251 177 250 179 205 125 266 267 103 0.901 12.22 35.9 96 100 95 100 281 148.3 45.918 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKSTART-N1004 Contamination 12.42min 12.4055 987.2 7.4 scans 50% 57 m/z 0.35% 0.340% 1443 1.3 84 44509 669521 627840 2-4 14: 57 56 41 99 71 85 43 58 112 70 69 235 155 50 0.865 12.42 37.5 82 83 89 100 281 6.3 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1040 Decane 12.8063 997.7 8.8 scans 35% TIC 4.7% 0.0266% 1511 1.1 24 3332 52442 52442 0-0 0.527 12.90 -2.3 80 90 47 86 142 5.4 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1022 ? Octanal 12.9533 1001.6 9.5 scans 46% TIC 6.3% 0.0813% 1536 1.4 37 2482 159844 147753 1-3 0.606 12.96 -173.2 72 97 62 94 110 5.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BMN_RE~1-N1016 ? Limonene 13.8990 1027.2 8.7 scans 26% 67 m/z (55) 5.7% 0.0538% 1696 1.7 30 2763 105889 91670 4-3 16: 67 121 92 68 136 91 84 80 95 93 69 53 119 140 108 78 0.525 13.89 51.9 79 96 55 92 136 8.3 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4776 1042.8 14.4 scans 60% 91 m/z 2.4% 0.0769% 1794 2.3 29 6347 0.0806% 151291 144376 158384 0-2 3: 91 92 65 0.850 14.44 58.0 83 96 77 95 120 10.5 12.916 0.036 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1002 ? Undecane 16.6087 1100.9 >9 scans 53% TIC 4.9% 0.0501% 2155 0.0 33 3196 0.0972% 98479 91701 191004 1-0 0.699 16.59 0.9 78 85 77 83 156 0.0 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1016 Nonanal 16.7958 1108.8 8.8 scans 89% 57 m/z 0.31% 2.10% 2186 1.5 185 50450 4127145 3693159 2-3 20: 57 41 56 55 43 98 70 82 69 44 68 96 95 81 67 42 99 71 39 83 0.957 16.82 86.4 83 100 96 99 124 13.2 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1006 Contamination 18.13min 18.0815 1163.1 7.9 scans 90% 73 m/z 0.054% 5.07% 2405 1.5 307 288519 9976667 9537908 1-3 20: 73 355 267 356 268 357 269 155 74 251 193 249 191 339 75 358 59 45 223 207 0.936 18.13 -168.6 80 100 93 99 355 127.9 17.402 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2557 1170.5 9.3 scans 15% 281 m/z (283) 6.2% 0.0149% 2434 2.2 16 2545 29375 29375 0-0 4: 281 267 191 282 0.449 12.25 17.4 65 84 39 82 281 14.6 85.569 6.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1012 ?? Nicotine 19.5957 1227.1 >5 scans 8.0% 133 m/z 16% 0.00306% 2661 0.0 9 988 0.00709% 6022 5563 13932 2-0 3: 133 119 91 0.212 25.78 71.8 63 100 100 100 162 0.0 0.000 -6.182 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 20.0090 1244.6 23.4 scans 54% 57 m/z 1.3% 0.373% 2731 1.6 54 11546 734819 680493 3-1 9: 57 61 60 41 87 45 63 44 58 0.679 19.81 177.1 71 97 75 95 144 0.0 0.000 0.195 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1004 Dodecane 20.3212 1257.7 8.3 scans 48% 57 m/z 2.1% 0.0880% 2783 1.0 43 7422 172995 163796 1-2 15: 57 43 71 85 84 41 99 56 170 42 55 70 100 53 39 0.701 20.32 0.0 91 94 67 91 170 7.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1034 ? Decanal 20.5450 1264.5 8.7 scans 64% 57 m/z 2.2% 0.256% 2822 1.0 69 6927 504479 465608 2-3 20: 57 55 41 43 70 112 68 71 67 66 84 95 56 44 69 39 96 82 42 113 0.832 20.57 -142.5 77 98 83 96 138 4.1 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1038 ? Contamination 21.56min 21.5025 1293.2 6.8 scans 72% 147 m/z 1.0% 0.223% 2984 1.1 72 15449 438357 420476 3-1 19: 147 281 73 148 282 369 283 207 74 265 250 370 149 205 371 191 249 177 284 0.845 21.56 -145.5 79 100 84 99 369 18.5 6.577 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1016 ?? Nicotine 22.6944 1329.0 15.0 scans 47% 73 m/z (98 121) 4.5% 0.130% 3186 1.6 37 3514 256852 243977 2-0 13: 73 74 101 60 129 55 57 41 61 115 45 102 39 0.766 25.35 179.8 63 90 70 88 162 0.0 0.000 -2.660 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1040 ?? Nonanoic acid 22.6944 1329.0 15.0 scans 50% 73 m/z (121) 3.8% 0.139% 3186 1.6 39 4081 273270 259573 2-0 13: 73 74 101 60 129 55 57 41 61 115 45 102 39 0.746 22.70 -146.3 68 94 73 92 158 0.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1006 Tridecane 23.8402 1363.3 7.7 scans 31% 57 m/z 2.8% 0.0554% 3380 1.2 35 5536 108976 95789 1-4 14: 57 43 85 95 70 113 111 56 72 127 142 126 184 147 0.500 23.86 -0.7 81 88 44 83 184 6.2 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1002 Contamination 24.17min 24.1041 1372.1 8.7 scans 92% 73 m/z 0.031% 9.77% 3425 1.4 419 497343 19213047 18189627 2-3 20: 73 341 429 342 325 147 343 430 431 74 326 327 344 75 59 148 191 45 432 311 0.962 24.17 -151.7 80 100 96 100 429 120.9 8.339 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1390 1473.5 6.8 scans 70% 221 m/z 0.31% 0.829% 3939 0.9 138 49821 1630147 1515504 1-2 19: 221 73 147 281 222 355 267 283 148 223 282 443 74 193 207 149 356 59 268 0.875 27.12 298.6 78 98 88 97 355 25.9 3.498 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1008 Tetradecane 27.1744 1474.6 8.1 scans 62% 57 m/z (221) 0.88% 0.378% 3945 0.8 83 17933 743836 668624 3-1 15: 57 71 43 85 41 56 55 70 113 84 98 126 42 112 140 0.872 27.21 -1.2 91 97 87 96 198 9.7 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1010 Contamination 29.61min 29.5404 1563.4 8.2 scans 91% TIC 0.055% 6.18% 4346 1.2 340 287133 12154458 11342714 2-4 0.956 29.61 -149.7 80 100 95 99 503 54.0 2.531 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1010 Pentadecane 30.3273 1593.0 7.8 scans 64% 57 m/z (205) 1.6% 0.175% 4479 1.0 58 9564 344701 307861 2-4 15: 57 71 43 85 41 99 69 56 55 212 70 112 113 140 68 0.841 30.38 -1.9 88 93 81 90 212 7.3 0.000 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1200 Contamination 32.08min 32.1166 1668.0 6.7 scans 79% 221 m/z 0.37% 0.652% 4782 1.0 123 42594 1282268 1194276 2-2 20: 221 73 147 207 222 295 341 355 281 74 343 296 342 297 325 148 223 208 149 224 0.885 32.08 1.6 96 97 86 96 355 20.9 2.895 0.038 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4354 1681.4 7.6 scans 38% 57 m/z (43) 3.2% 0.0638% 4836 1.5 33 4843 125399 101434 8-5 11: 57 197 71 85 70 56 196 83 84 125 198 0.651 32.44 -0.3 70 75 54 72 226 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 32.4354 1681.4 7.6 scans 50% 57 m/z (53) 3.3% 0.0832% 4836 1.5 37 4786 163517 132268 8-5 11: 57 197 71 85 70 56 196 83 84 125 198 0.737 33.90 -46.9 76 89 66 85 197 9.5 0.000 -1.461 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9390 1702.6 7.6 scans 55% 71 m/z 0.34% 0.339% 4921 1.2 83 46602 667629 589731 11-3 18: 71 43 159 111 72 56 155 173 143 55 69 160 83 73 156 98 127 222 0.786 32.93 0.3 89 92 78 95 243 12.7 2.371 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1012 Hexadecane 33.3091 1718.1 7.4 scans 72% 57 m/z (127) 0.99% 0.327% 4984 0.9 78 15973 643728 555367 7-4 15: 57 71 85 43 41 99 56 55 168 83 226 98 154 70 113 0.904 33.37 -2.7 90 94 85 92 226 10.0 1.660 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4047 1735.6 7.5 scans 84% 73 m/z 0.21% 1.31% 5170 1.2 165 74659 2578518 2424975 2-2 20: 73 355 147 221 281 356 401 357 282 222 148 74 402 415 207 327 251 341 267 133 0.903 34.39 452.6 78 98 88 97 415 19.8 1.430 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9030 1742.7 9.2 scans 28% TIC 3.8% 0.0556% 5254 1.3 34 4100 109398 100678 3-0 0.401 34.90 -0.0 77 91 44 84 224 6.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1212 ? Hexadecene 35.9349 1757.4 7.7 scans 36% 97 m/z 3.4% 0.0927% 5429 1.6 44 4591 182295 179294 0-4 17: 97 83 55 111 57 41 56 125 85 98 112 68 154 110 140 82 124 0.454 33.09 48.7 79 92 44 88 224 0.0 0.000 2.850 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5849 1766.7 6.7 scans 56% 221 m/z 1.0% 0.224% 5538 1.2 72 15549 441196 411145 2-3 20: 221 73 147 207 281 283 282 296 74 295 222 341 265 369 355 117 209 148 327 208 0.686 36.58 450.2 74 96 68 93 369 13.6 3.575 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.7 scans 39% TIC 1.1% 0.113% 5643 1.2 48 13425 223770 204667 1-1 0.517 37.20 449.2 75 97 48 95 224 20.5 18.394 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6256 1795.9 7.4 scans 65% 73 m/z 0.56% 0.368% 5884 0.8 88 28300 724536 658327 2-2 20: 73 147 221 355 429 356 325 430 281 74 222 267 148 401 133 357 341 431 45 191 0.746 38.59 447.8 74 95 70 93 429 27.9 9.961 0.035 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN HCMIX_~1-N1016 ? Octadecane 38.8334 1798.9 8.3 scans 43% 57 m/z (83) 2.6% 0.0851% 5920 1.0 38 5908 167277 148698 2-2 17: 57 85 43 154 70 127 41 56 141 42 140 97 86 126 99 58 168 0.606 38.91 -1.1 74 80 52 76 254 5.3 0.000 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3228 1975.2 9.8 scans 51% 149 m/z 0.93% 0.108% 6173 1.3 42 16904 213011 200821 8-1 13: 149 223 121 150 205 104 57 56 51 41 76 42 65 0.703 40.31 600.3 74 98 67 95 223 10.2 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.6286 2013.1 7.0 scans 41% 73 m/z 3.0% 0.0559% 6224 1.0 36 5130 110002 103365 3-2 19: 73 147 281 296 295 221 370 265 297 283 75 369 207 148 222 223 74 267 355 0.584 44.32 565.8 70 96 56 92 369 7.8 0.000 -3.691 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLANKB1-N1012 Contamination 41.49min 41.4303 2112.5 8.1 scans 61% TIC 0.85% 0.743% 6360 1.2 119 18565 1460784 1312524 2-4 0.681 41.49 -84.1 82 99 67 97 276 9.0 0.000 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3807 2169.4 7.1 scans 42% 147 m/z 1.3% 0.100% 6520 0.8 47 11928 197912 191185 1-5 19: 147 148 355 429 431 221 267 342 461 208 356 415 505 205 145 207 223 475 417 0.493 42.37 760.4 70 93 50 89 503 11.1 5.476 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.8223 2365.2 7.8 scans 51% 223 m/z 2.4% 0.0711% 7103 1.4 39 6396 139742 138958 0-3 14: 223 221 207 74 149 147 325 429 430 341 431 358 208 327 0.608 45.78 2.6 78 81 51 78 503 4.8 0.000 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9499 2545.3 8.0 scans 42% TIC 3.7% 0.0469% 7634 1.0 31 4186 92178 80648 3-1 0.533 48.95 994.9 69 93 52 89 429 11.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1404 772.0 14.3 scans 49% 77 m/z (63) 0.77% 0.0808% 43 4.2 46 21838 362208 362208 0-0 6: 77 45 62 79 59 86 0.882 4.37 18.0 92 98 89 97 77 42.2 83.420 -0.231 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1357 824.0 8.6 scans 38% 57 m/z 1.6% 0.0260% 380 1.2 33 9989 116846 102315 1-3 8: 57 41 102 87 39 56 43 50 0.636 6.03 -137.6 63 98 67 95 102 5.7 0.000 0.103 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1014 Contamination 6.52min 6.5902 835.8 10.4 scans 73% 207 m/z 0.30% 0.269% 458 2.8 87 56085 1209463 1025249 2-4 19: 207 208 96 209 191 133 177 210 193 194 163 103 176 161 192 178 102 189 179 0.848 6.53 -141.0 80 100 83 99 207 67.6 60.366 0.062 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKSTART-N1002 Contamination 12.22min 12.2344 982.8 7.2 scans 78% 281 m/z (41) 0.10% 0.733% 1414 1.6 170 164563 3289870 2796492 2-4 20: 281 282 283 134 133 265 249 193 191 284 207 177 73 251 125 266 189 205 119 267 0.891 12.22 36.5 93 99 92 100 281 115.9 46.663 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKSTART-N1004 Contamination 12.42min 12.4304 987.9 7.8 scans 30% 57 m/z 0.67% 0.0750% 1447 1.3 58 25122 336566 305623 2-4 11: 57 56 81 41 71 85 113 97 138 96 82 0.607 12.42 38.2 84 100 87 99 281 6.2 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1040 Decane 12.8218 998.1 8.1 scans 31% 57 m/z (118) 9.7% 0.0107% 1513 1.6 20 1728 48134 42402 2-0 3: 57 43 85 0.712 12.90 -1.9 84 93 65 87 142 3.3 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1022 ? Octanal 12.9593 1001.7 8.5 scans 68% 84 m/z (281) 4.1% 0.0853% 1537 1.6 55 4042 382658 342854 2-3 14: 84 43 56 57 55 41 44 39 69 85 100 67 71 72 0.843 12.96 -173.1 75 99 84 98 110 6.8 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 14.4664 1042.5 >6 scans 27% 92 m/z (89) 9.1% 0.00583% 1792 0.0 19 1837 0.0173% 26156 26156 77548 0-0 3: 92 120 50 0.692 14.44 57.7 70 86 63 92 120 6.1 10.558 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1002 ?? Undecane 16.6028 1100.7 8.9 scans 41% 57 m/z (126) 3.9% 0.0336% 2154 1.5 35 4317 151006 137039 1-2 8: 57 43 113 99 84 112 41 127 0.623 16.59 0.7 68 87 68 84 156 1.8 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1016 Nonanal 16.7959 1108.8 8.2 scans 88% TIC 0.40% 0.666% 2187 1.5 165 41735 2986238 2801363 1-5 0.949 16.82 86.4 82 99 95 99 124 13.1 0.635 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1006 Contamination 18.13min 18.0810 1163.1 8.0 scans 88% 73 m/z 0.053% 2.50% 2404 1.5 322 315949 11215049 10767425 1-3 20: 73 355 267 356 357 268 269 251 74 193 154 75 358 249 339 59 179 45 253 223 0.918 18.13 -168.6 80 100 91 99 355 138.7 18.574 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.0810 1163.1 8.0 scans 72% 73 m/z (270) 0.055% 2.11% 2404 1.5 292 305989 9470028 9092053 1-3 20: 73 355 267 356 357 268 269 251 74 193 154 75 358 249 339 59 179 45 253 223 0.915 18.09 121.5 64 88 80 88 355 139.1 22.684 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1018 Contamination 12.25min 18.2327 1169.5 8.5 scans 25% 133 m/z (154) 6.0% 0.0115% 2430 0.8 24 2802 0.0255% 51884 45906 114304 2-0 6: 133 207 251 75 249 208 0.710 12.25 16.4 83 89 61 88 281 15.1 38.724 5.982 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1024 ?? p-Cymene 18.9683 1200.6 11.8 scans 23% 119 m/z (65) 6.4% 0.0142% 2555 0.0 25 2632 0.0238% 64095 55438 106684 9-0 7: 119 135 91 63 103 134 50 0.589 13.76 1.1 66 75 50 75 134 14.7 33.478 5.211 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9034 1240.1 >23 scans 72% 41 m/z 0.75% 0.313% 2713 1.8 81 22491 1405386 1330035 1-1 16: 41 75 72 56 76 71 87 89 61 58 63 55 73 102 44 74 0.832 19.81 172.6 77 99 87 98 144 0.0 0.000 0.089 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1004 Dodecane 20.3136 1257.4 7.9 scans 36% TIC 2.8% 0.0201% 2783 1.2 36 5847 90303 81203 2-1 0.664 20.32 -0.3 84 88 58 84 170 6.4 3.213 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1034 ? Decanal 20.5350 1264.2 8.2 scans 83% 57 m/z (111) 0.64% 0.569% 2821 1.0 150 26202 2551410 2345960 3-5 18: 57 41 55 43 70 82 68 44 56 69 112 67 96 39 109 72 138 45 0.969 20.57 -142.8 73 95 96 98 138 9.5 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5350 1264.2 8.2 scans 85% 57 m/z (113) 0.66% 0.585% 2821 1.0 152 25474 2623684 2412414 3-5 18: 57 41 55 43 70 82 68 44 56 69 112 67 96 39 109 72 138 45 0.970 16.82 -27.2 70 74 84 76 124 1.9 0.000 3.720 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5380 1264.2 8.4 scans 82% TIC 0.63% 0.542% 2821 0.9 149 26644 2431772 2198860 3-5 0.939 20.56 185.5 78 98 98 99 128 13.5 0.821 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1006 ?? Arosol 21.0167 1278.6 12.7 scans 30% 138 m/z (55) 2.9% 0.0314% 2902 1.0 27 5744 141171 117970 1-4 5: 138 77 94 147 78 0.647 20.98 193.6 65 96 65 95 152 2.0 0.000 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4955 1293.0 6.7 scans 77% 147 m/z 0.65% 0.175% 2983 0.9 96 25898 784635 737010 2-1 19: 147 281 73 282 369 283 149 148 249 207 265 117 370 372 251 74 191 284 279 0.901 21.56 -145.7 79 99 91 99 369 24.1 6.334 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1016 ? Nicotine 22.7936 1331.9 14.3 scans 75% 60 m/z 0.25% 1.12% 3203 0.3 179 65613 5049600 4625294 1-10 20: 60 73 57 55 41 129 115 43 98 61 87 69 56 74 101 42 39 84 83 97 0.920 25.35 182.7 76 97 91 98 162 0.0 0.000 -2.560 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1006 Tridecane 23.8350 1363.2 8.3 scans 35% 57 m/z (184) 2.8% 0.0396% 3379 1.5 39 5988 177663 154753 2-3 12: 57 43 113 41 85 70 99 97 68 109 141 112 0.598 23.86 -0.8 83 94 59 89 184 5.4 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1002 Contamination 24.17min 24.0941 1371.8 8.8 scans 91% 73 m/z 0.023% 6.66% 3423 1.2 512 708070 29884547 28193952 2-3 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 75 432 148 251 59 45 0.954 24.17 -152.0 80 100 95 100 429 151.6 8.756 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2211 1409.4 7.8 scans 31% 43 m/z (133) 2.6% 0.0200% 3614 1.3 28 6312 90052 79555 6-5 6: 43 103 116 86 74 145 0.803 25.24 -150.5 67 97 81 96 145 11.2 16.064 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0334 1436.5 9.2 scans 34% 145 m/z (67) 2.3% 0.0545% 3751 1.3 43 7040 244454 212638 3-6 8: 145 160 102 161 115 146 116 118 0.780 27.08 -186.3 65 88 50 92 160 16.9 15.352 -1.044 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1119 1472.6 6.6 scans 89% TIC 0.12% 1.13% 3934 1.6 237 135854 5102272 4674335 2-3 0.948 27.12 297.7 79 99 94 99 355 43.2 3.338 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1008 Tetradecane 27.1703 1474.5 7.6 scans 50% 57 m/z 0.96% 0.0956% 3944 0.8 67 17471 428928 382143 4-1 14: 57 71 43 85 41 198 99 98 56 169 112 42 70 86 0.717 27.21 -1.3 89 93 65 88 198 10.1 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1032 ?? Myosmine 28.2323 1514.3 14.9 scans 14% 118 m/z (147) 7.7% 0.0202% 4124 2.6 21 2165 90577 81862 1-1 9: 118 146 145 121 117 64 104 78 51 0.718 27.93 327.6 63 92 62 91 146 11.4 29.357 0.301 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6674 1530.6 7.7 scans 79% 43 m/z (147) 0.25% 0.554% 4197 1.2 152 65917 2487042 2259825 2-7 16: 43 69 41 151 136 107 67 93 125 121 53 109 81 39 108 79 0.914 28.67 333.2 75 99 93 98 194 10.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1010 Contamination 29.61min 29.5175 1562.6 8.5 scans 90% 73 m/z 0.024% 7.39% 4342 1.1 551 689818 33136379 31062345 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 148 74 504 329 325 417 505 342 0.958 29.61 -150.5 80 99 97 99 503 91.7 2.764 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1010 Pentadecane 30.3215 1592.8 7.3 scans 62% 57 m/z (153) 1.5% 0.0899% 4478 1.2 63 10677 403139 367122 1-2 19: 57 71 85 43 41 83 69 56 55 70 154 212 155 84 54 99 98 86 127 0.886 30.38 -2.1 90 95 84 92 212 7.5 0.000 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5370 1643.6 9.6 scans 39% 43 m/z (95) 1.4% 0.0770% 4684 1.3 48 11741 345268 294687 2-5 17: 43 127 151 111 109 83 152 67 123 41 69 97 39 98 96 82 70 0.592 31.52 0.9 82 91 54 87 166 14.5 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0801 1666.5 6.7 scans 91% 221 m/z 0.057% 2.14% 4776 1.0 332 294666 9629224 9076449 2-2 20: 221 73 147 222 207 295 341 223 355 281 148 325 296 74 267 208 356 342 297 149 0.964 32.08 0.1 97 96 93 98 355 55.4 2.791 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4355 1681.4 7.5 scans 36% 57 m/z (67) 3.9% 0.0323% 4836 1.3 37 4262 144902 123427 1-6 12: 57 71 43 41 56 112 58 97 70 42 55 168 0.702 32.44 -0.3 76 83 63 79 226 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9343 1702.4 7.7 scans 59% 71 m/z 0.28% 0.180% 4920 1.1 92 59556 808052 743111 8-2 19: 71 43 111 41 56 143 173 69 243 160 156 89 55 215 144 98 70 142 73 0.799 32.93 0.1 90 93 77 95 243 14.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1012 Hexadecane 33.3086 1718.1 7.6 scans 69% 57 m/z (207) 0.85% 0.176% 4984 0.9 86 19621 791902 698903 4-3 19: 57 71 85 43 41 99 55 226 86 281 56 70 84 72 98 42 69 100 141 0.896 33.37 -2.7 93 96 88 95 226 9.8 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8293 1727.3 8.3 scans 30% 217 m/z (142) 2.6% 0.0226% 5072 0.9 31 6276 0.0227% 101502 101272 101753 0-1 11: 217 218 115 144 145 233 219 131 201 173 141 0.598 33.83 452.6 64 93 48 93 232 12.7 16.652 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3759 1735.1 8.4 scans 92% 73 m/z 0.037% 4.57% 5165 1.1 437 444926 20521490 19120315 2-2 20: 73 355 147 221 281 356 401 357 282 222 74 415 402 327 148 267 207 223 385 75 0.970 34.39 452.1 80 100 97 100 415 50.7 1.342 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.8972 1742.6 7.3 scans 31% 98 m/z (82) 6.2% 0.0258% 5253 1.1 34 2707 0.0268% 115945 109687 120132 1-0 7: 98 68 196 224 154 54 126 0.640 34.90 -0.1 73 86 50 84 224 5.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1212 ? Hexadecene 35.5164 1751.5 10.6 scans 39% 69 m/z (100) 6.4% 0.0543% 5358 1.4 41 2618 243804 225536 1-0 16: 69 55 120 82 84 70 57 83 140 43 85 124 81 42 67 44 0.675 33.09 42.8 71 92 71 89 224 0.0 0.000 2.431 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1014 ? Heptadecane 36.1363 1760.3 7.7 scans 65% 57 m/z (105) 1.1% 0.138% 5463 0.8 76 15187 623068 565463 4-1 16: 57 71 43 85 112 55 168 41 240 99 154 70 98 83 113 183 0.884 36.21 -90.6 73 95 86 92 240 8.4 1.224 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5495 1766.2 7.8 scans 89% 221 m/z 0.081% 2.12% 5533 1.1 309 208087 9506916 9055174 2-2 20: 221 73 147 207 295 222 281 369 223 341 148 296 74 208 282 297 355 327 342 325 0.950 36.58 449.7 79 99 96 99 369 47.1 2.330 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1930 1775.4 7.9 scans 43% 209 m/z 1.2% 0.0622% 5642 1.2 52 13984 279134 244636 3-3 20: 209 224 181 210 193 165 182 225 167 194 191 102 105 179 91 116 115 77 104 89 0.665 37.20 449.1 74 96 58 94 224 21.0 16.038 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5849 1795.4 8.9 scans 88% TIC 0.070% 2.22% 5878 1.0 299 238327 9990977 9307809 5-2 0.937 38.59 447.3 80 99 93 99 429 86.2 8.299 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1016 Octadecane 38.8276 1798.8 8.0 scans 60% TIC 0.91% 0.123% 5919 1.2 77 18509 0.143% 552990 486178 641000 7-0 0.772 38.91 -1.2 85 89 68 85 254 8.3 1.174 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN TAB_REP1-N1018 ? Neophytadiene 39.7544 1904.7 7.1 scans 73% 68 m/z 1.0% 0.277% 6076 1.0 120 16779 1245858 1141324 1-2 20: 68 95 82 123 83 57 81 69 55 67 43 97 41 96 124 71 109 126 137 79 0.859 39.94 535.6 72 94 82 91 278 6.8 0.000 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3081 1973.3 8.2 scans 71% 149 m/z 0.22% 0.227% 6170 0.9 97 76365 1018162 946962 5-4 17: 149 57 76 205 167 150 104 223 122 206 56 50 121 42 65 151 93 0.847 40.31 598.4 78 99 84 98 223 21.0 4.644 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6027 2009.9 7.4 scans 87% 221 m/z 0.12% 1.25% 6220 1.0 246 136808 5627474 5318586 2-2 20: 221 73 147 295 281 207 222 369 223 296 148 282 370 355 74 208 297 283 205 267 0.935 40.63 629.8 77 96 97 99 369 39.4 2.563 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BQLD_R~1-N1056 ? Homosalate 40.9888 2057.7 8.3 scans 60% 138 m/z 0.46% 0.372% 6285 1.0 125 36227 0.377% 1668055 1497709 1689910 3-5 12: 138 120 109 69 121 124 139 93 65 262 95 39 0.825 41.00 671.9 79 99 82 99 262 18.8 2.249 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.3861 2107.0 >4 scans 19% 71 m/z (117) 1.3% 0.0487% 6352 0.0 59 12304 0.138% 218393 189137 618588 4-0 16: 71 96 154 171 76 169 100 155 84 125 183 211 196 168 180 114 0.740 41.48 -12.0 60 68 67 72 268 5.5 0.883 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLANKB1-N1012 Contamination 41.49min 41.4256 2111.9 8.5 scans 83% TIC 0.22% 1.69% 6359 0.9 266 73798 7617890 7001618 3-3 0.902 41.49 -84.7 84 99 88 99 276 17.9 0.453 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1028 ?? Diterpene 42.0min 41.9994 2148.0 7.8 scans 50% 74 m/z (91) 1.6% 0.0667% 6456 1.1 53 9961 299296 260351 2-6 16: 74 87 83 88 75 143 55 227 239 270 41 144 59 157 42 84 0.711 42.01 746.0 69 94 69 91 272 0.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3412 2167.2 6.9 scans 86% 73 m/z 0.10% 1.25% 6514 1.0 249 161169 5610719 5263653 2-3 20: 73 147 281 221 355 429 503 207 341 282 74 222 148 356 504 430 283 505 295 431 0.922 42.37 758.2 75 95 93 99 503 41.2 2.736 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1020 Icosane 43.8460 2251.6 7.6 scans 59% 85 m/z (220) 1.4% 0.0976% 6769 1.1 65 11396 437925 414703 2-2 14: 85 57 43 83 239 113 86 70 197 155 182 72 126 98 0.742 43.94 -5.1 82 90 70 86 282 6.7 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7887 2363.3 7.6 scans 86% 73 m/z (69) 0.15% 1.05% 7098 1.1 214 109011 4709860 4309964 3-3 20: 73 355 147 221 281 356 207 357 148 222 429 205 74 282 341 295 283 223 415 267 0.929 45.78 0.7 96 98 91 97 503 19.7 0.847 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN HCMIX_~1-N1022 ?? Henicosane 46.1896 2386.4 7.6 scans 47% 71 m/z (70) 3.3% 0.0469% 7166 0.9 41 5093 210532 182093 3-7 13: 71 85 57 43 99 140 126 296 155 98 113 58 197 0.779 46.28 -5.3 65 71 64 66 296 4.4 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5060 2462.2 8.0 scans 76% 138 m/z 0.51% 0.333% 7389 1.3 117 33068 1494962 1333946 2-6 20: 138 120 121 43 57 139 41 65 71 84 55 69 111 70 56 168 113 93 83 97 0.878 47.50 949.4 78 98 87 98 168 14.9 1.634 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9293 2544.1 7.8 scans 84% 73 m/z 0.19% 0.821% 7630 1.1 189 87197 3683883 3438374 2-5 20: 73 147 355 221 429 281 431 356 207 222 357 148 341 282 327 223 149 283 417 267 0.894 48.95 993.7 74 94 93 99 429 49.9 6.995 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BLKEND~1-N1020 ? Contamination 44.32min 50.8272 2653.3 8.0 scans 37% TIC 3.9% 0.0220% 7952 0.8 34 4281 99061 82802 0-9 0.617 44.32 1206.0 72 96 58 93 369 9.2 7.343 6.507 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8467 2711.9 8.3 scans 71% 73 m/z 0.39% 0.389% 8124 1.5 126 42618 1745668 1581479 2-4 19: 73 147 221 355 429 281 415 430 207 295 356 148 222 431 74 341 504 267 402 0.798 51.86 1081.0 77 99 82 98 503 19.4 2.383 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1234 771.6 13.6 scans 58% 77 m/z (74) 0.57% 0.154% 40 5.2 53 28847 529648 488009 10-2 11: 77 45 62 47 79 59 63 61 86 92 98 0.916 4.37 17.6 97 100 92 99 77 46.8 78.486 -0.248 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1016 ? Pivalic acid 6.0869 822.7 8.7 scans 64% 57 m/z 0.82% 0.101% 373 0.6 52 20146 348211 300401 2-3 11: 57 41 39 45 56 59 87 38 86 85 37 0.849 6.03 -138.9 77 99 85 97 102 6.7 0.000 0.054 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5255 834.1 11.8 scans 73% 207 m/z 0.25% 0.406% 447 2.7 90 65338 1396767 1253254 2-2 19: 207 208 209 191 96 133 193 177 147 165 210 162 163 88 89 161 87 102 105 0.823 6.53 -142.7 79 100 82 99 207 70.4 61.906 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN N506_R~1-N1176 ?? 2-Hexenal 7.6996 864.7 16.5 scans 9.7% 42 m/z (80) 19% 0.00720% 646 2.2 10 853 24736 21214 6-0 3: 42 41 98 0.218 7.71 9.4 65 87 18 80 98 5.1 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1002 ?? IS d3-Acetophenone 11.3774 960.5 >19 scans 33% 51 m/z (107) 5.7% 0.0362% 1269 1.5 23 2894 124345 115709 1-0 4: 51 38 74 76 0.570 15.17 -36.9 62 73 64 73 123 0.0 0.000 -3.793 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKSTART-N1002 Contamination 12.22min 12.2163 982.3 7.5 scans 68% 281 m/z 0.11% 0.792% 1411 1.7 147 139413 2720175 2426677 1-4 19: 281 282 283 193 265 249 191 133 207 177 266 284 73 250 251 267 125 205 119 0.854 12.22 36.0 95 100 89 100 281 102.9 49.191 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKSTART-N1004 ?? Contamination 12.42min 12.4058 987.2 7.2 scans 45% 57 m/z (265) 0.63% 0.167% 1443 1.4 72 26351 574091 506382 2-4 11: 57 56 81 99 82 53 71 85 139 94 113 0.871 12.42 37.5 62 54 76 100 281 6.1 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1022 ? Octanal 12.9406 1001.2 8.0 scans 79% 41 m/z (59) 2.2% 0.198% 1533 1.1 75 7373 680918 658572 0-5 18: 41 55 56 44 67 69 82 85 71 42 66 110 72 58 54 53 99 97 0.930 12.96 -173.6 76 100 95 99 110 8.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1016 ?? Limonene 13.8940 1027.0 8.1 scans 40% 68 m/z (81) 4.0% 0.0660% 1695 1.6 45 4107 0.0806% 226684 218388 276779 0-3 18: 68 93 57 67 107 121 92 41 53 79 70 140 69 108 97 54 83 137 0.555 13.89 51.7 63 81 51 90 136 8.9 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN GLAU_R~1-N1068 ?? a-Toluenol 14.1419 1033.8 >11 scans 17% 108 m/z (57) 18% 0.00654% 1737 1.0 12 889 22467 22467 0-0 3: 108 79 107 0.702 14.11 54.8 67 89 54 86 108 7.0 32.448 0.033 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4424 1041.9 >21 scans 41% 92 m/z (86) 2.3% 0.0512% 1789 2.4 28 7020 176153 176153 0-0 5: 92 89 121 50 63 0.731 14.44 57.1 80 97 70 95 120 10.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1002 ? Undecane 14.8769 1053.7 7.4 scans 52% TIC 1.9% 0.0718% 1862 1.2 49 8561 246866 218269 1-4 0.671 16.59 -46.3 71 83 64 81 156 0.0 0.000 -1.710 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1016 Nonanal 16.7807 1108.2 8.4 scans 88% 57 m/z 0.23% 1.58% 2184 1.4 210 72528 5446403 4936082 2-4 20: 57 41 56 43 55 98 70 82 44 69 68 81 96 95 67 39 71 42 54 72 0.953 16.82 85.8 83 100 96 99 124 16.2 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1006 Contamination 18.13min 18.0830 1163.2 7.8 scans 82% 73 m/z 0.10% 1.57% 2405 1.4 216 156814 5422379 4864476 2-3 19: 73 355 267 356 357 268 269 251 154 74 223 75 358 179 59 125 45 207 252 0.901 18.13 -168.5 80 99 88 99 355 94.9 19.294 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8971 1239.8 15.5 scans 58% 45 m/z 0.64% 0.369% 2712 2.1 77 25871 1269654 1161680 2-1 18: 45 41 101 60 89 39 87 77 90 112 86 100 132 71 122 85 74 47 0.705 19.81 172.3 76 100 75 98 144 0.0 0.000 0.083 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1004 Dodecane 20.3132 1257.4 8.2 scans 37% TIC 2.5% 0.0314% 2783 0.9 37 6443 108127 98439 4-0 0.621 20.32 -0.3 83 92 57 87 170 6.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1034 ?? Decanal 20.5322 1264.1 8.3 scans 89% 57 m/z (65) 0.27% 1.82% 2819 1.1 228 61239 6280025 5759573 3-3 20: 57 41 43 55 82 70 71 68 83 56 44 112 81 69 110 96 84 42 39 54 0.986 20.57 -142.9 68 86 92 98 138 5.7 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5322 1264.1 8.3 scans 90% 57 m/z 0.26% 1.73% 2819 1.1 228 62228 5963731 5469492 3-3 20: 57 41 43 55 82 70 71 68 83 56 44 112 81 69 110 96 84 42 39 54 0.968 16.82 -27.3 70 74 83 74 124 1.9 0.000 3.717 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4903 1292.8 7.0 scans 51% 147 m/z 1.5% 0.0744% 2982 1.1 52 10449 255510 231647 2-1 20: 147 281 73 369 282 283 249 267 207 371 265 74 193 131 284 191 133 149 208 117 0.757 21.56 -145.9 76 98 73 96 369 14.5 7.926 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1040 ? Nonanoic acid 22.7413 1330.4 10.6 scans 70% 60 m/z 0.50% 0.635% 3194 0.5 122 33140 2181862 1894847 2-3 20: 60 73 115 57 41 129 55 69 43 87 61 70 98 74 39 45 83 56 101 53 0.879 22.70 -144.9 75 98 93 97 158 8.9 0.000 0.045 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1016 ? Nicotine 22.7413 1330.4 10.6 scans 76% 60 m/z (95) 0.50% 0.795% 3194 0.5 127 33196 2733018 2373500 2-3 20: 60 73 115 57 41 129 55 69 43 87 61 70 98 74 39 45 83 56 101 53 0.917 25.35 181.2 73 96 91 99 162 0.0 0.000 -2.613 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1006 ? Tridecane 23.8286 1363.0 7.9 scans 42% 85 m/z (110) 3.1% 0.0584% 3378 1.3 43 5347 200710 195374 1-1 15: 85 43 55 113 97 69 84 41 53 123 126 151 42 67 98 0.654 23.86 -1.0 76 87 62 84 184 5.7 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1002 Contamination 24.17min 24.1043 1372.1 8.2 scans 88% 73 m/z 0.048% 3.96% 3425 1.3 343 347690 13619894 12836450 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 191 432 75 148 251 45 0.931 24.17 -151.7 80 100 94 99 429 103.2 9.064 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1004 ? Nicotine 25.4987 1418.7 14.7 scans 83% TIC 0.085% 2.34% 3661 2.2 201 195810 8063802 7542011 2-1 0.913 25.89 261.7 75 95 83 95 162 53.3 7.037 -0.393 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1292 1473.1 6.5 scans 72% 221 m/z 0.40% 0.375% 3937 1.0 120 41625 1291116 1234358 2-1 20: 221 73 147 281 355 222 267 223 148 443 282 74 133 268 325 191 207 149 249 75 0.867 27.12 298.2 77 98 85 96 355 23.9 3.956 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1008 Tetradecane 27.1693 1474.5 7.4 scans 63% 57 m/z (221) 0.95% 0.178% 3944 0.9 76 17527 613516 561400 2-1 18: 57 71 43 85 41 99 56 55 70 58 198 126 98 127 42 86 155 100 0.862 27.21 -1.3 89 96 85 94 198 9.9 1.677 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6635 1530.5 7.7 scans 70% 43 m/z (163) 0.39% 0.408% 4197 1.3 111 42015 1402740 1340547 2-4 18: 43 69 41 151 136 107 39 67 125 121 109 190 66 194 81 111 179 126 0.823 28.67 333.1 73 98 85 96 194 7.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5365 1563.3 7.7 scans 81% 73 m/z 0.074% 2.66% 4345 1.1 293 225261 9149980 8739432 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 148 221 74 416 504 329 325 417 342 0.917 29.61 -149.8 79 99 93 99 503 49.5 2.855 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1022 ? Nicotyrine 29.7125 1569.9 >7 scans 58% 142 m/z 0.25% 0.334% 4373 12.0 110 64699 0.640% 1149479 1149479 2197747 0-0 9: 142 49 64 87 38 104 53 100 106 0.778 29.68 357.3 77 98 70 97 158 70.1 40.726 0.030 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1010 Pentadecane 30.3223 1592.8 7.5 scans 60% 57 m/z (134) 1.4% 0.112% 4478 1.1 61 11149 386703 370837 1-1 20: 57 71 43 85 212 41 55 127 169 141 42 99 84 54 113 155 140 69 111 183 0.873 30.38 -2.1 91 96 85 93 212 7.8 0.000 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5324 1643.5 7.7 scans 14% 166 m/z (119) 4.7% 0.0154% 4683 1.6 21 3505 53189 42975 3-4 5: 166 111 167 126 54 0.422 31.52 0.8 70 87 36 79 166 7.6 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1200 Contamination 32.08min 32.1039 1667.5 6.6 scans 79% 221 m/z (60) 0.41% 0.339% 4780 1.0 112 39855 1166546 1129737 1-2 20: 221 73 207 295 222 147 223 341 355 267 148 74 325 189 296 208 191 357 269 149 0.909 32.08 1.1 95 97 88 97 355 19.0 2.864 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1204 ?? Hydrocarbon 32.4min RI1681 32.4363 1681.4 8.3 scans 30% 85 m/z (401) 4.6% 0.0344% 4836 1.3 32 3576 118254 112371 1-2 15: 85 57 71 113 43 55 56 197 58 196 127 42 86 99 84 0.592 32.44 -0.3 68 78 55 74 226 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9351 1702.4 7.7 scans 69% 71 m/z 0.22% 0.308% 4921 1.0 103 74139 1058727 988928 7-2 16: 71 43 159 111 56 41 155 173 55 69 143 156 126 112 89 244 0.840 32.93 0.1 91 94 81 96 243 16.9 2.712 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1012 Hexadecane 33.3141 1718.3 7.3 scans 76% 85 m/z (105) 0.68% 0.270% 4984 0.8 93 24416 929038 813420 2-3 17: 85 70 127 56 98 215 169 99 113 69 39 226 83 112 141 197 68 0.881 33.37 -2.5 88 98 87 95 226 9.3 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3867 1735.3 7.3 scans 85% 73 m/z 0.22% 0.798% 5166 1.0 165 73271 2743032 2616268 2-2 20: 73 355 147 221 281 356 357 74 402 148 327 415 283 403 358 457 224 75 417 131 0.911 34.39 452.3 79 99 89 98 415 19.8 1.440 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.8926 1742.5 8.1 scans 39% 83 m/z (85) 4.2% 0.0518% 5253 1.6 37 3940 178074 150232 3-3 13: 83 68 69 41 67 55 97 111 54 84 70 167 224 0.627 34.90 -0.2 78 87 51 86 224 6.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1212 ? Hexadecene 35.9357 1757.5 7.3 scans 66% 97 m/z 1.8% 0.179% 5429 0.9 80 8843 616789 543451 2-4 20: 97 83 55 69 70 56 43 57 41 98 238 84 111 82 71 85 68 140 58 125 0.865 33.09 48.8 78 91 87 90 224 0.0 0.000 2.851 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1014 ? Heptadecane 36.1370 1760.3 7.9 scans 62% 57 m/z (223) 1.1% 0.165% 5463 0.8 70 14943 569482 508683 4-1 15: 57 71 43 85 41 56 55 99 240 182 86 140 168 112 84 0.827 36.21 -90.6 72 95 79 91 240 8.5 0.000 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5733 1766.6 6.7 scans 55% 221 m/z 0.76% 0.196% 5536 0.9 85 21704 673073 638616 3-3 20: 221 73 295 207 369 223 355 296 341 281 357 327 370 209 329 283 149 134 343 279 0.769 36.58 450.1 75 96 76 94 369 15.8 3.469 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1990 1775.5 8.8 scans 34% 209 m/z (180) 1.8% 0.0492% 5643 0.9 38 8982 169136 161137 1-4 16: 209 224 165 194 178 179 166 152 182 193 76 225 115 167 104 116 0.540 37.20 449.2 71 96 49 93 224 17.0 20.078 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6105 1795.7 7.4 scans 65% 73 m/z 0.40% 0.341% 5882 1.0 108 40913 1171594 1079180 2-3 20: 73 429 147 355 430 281 341 431 221 356 401 325 207 74 148 223 357 295 269 205 0.772 38.59 447.6 76 97 74 95 429 34.8 10.435 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1016 Octadecane 38.8331 1798.9 7.7 scans 67% 57 m/z (120) 1.0% 0.187% 5919 0.9 76 16334 642520 602988 1-2 20: 57 85 43 41 72 126 56 254 55 69 113 70 99 141 112 127 98 168 140 86 0.865 38.91 -1.1 89 93 82 91 254 8.0 0.000 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN TAB_REP1-N1018 ?? Neophytadiene 39.7557 1904.9 7.4 scans 52% 123 m/z 3.0% 0.0959% 6076 1.1 61 5531 329470 308354 1-1 20: 123 95 82 68 81 96 55 111 41 57 69 67 85 43 83 97 121 137 125 110 0.727 39.94 535.8 65 89 66 85 278 3.6 0.000 -0.180 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3071 1973.2 8.1 scans 62% 149 m/z 0.40% 0.162% 6169 1.1 70 41537 558260 507391 7-3 15: 149 150 57 223 104 205 167 76 41 121 50 132 53 56 122 0.856 40.31 598.3 77 98 84 97 223 16.0 5.230 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6170 2011.6 6.5 scans 56% 221 m/z 1.3% 0.104% 6222 1.0 63 12638 360143 336072 2-3 20: 221 147 73 295 281 207 369 222 282 223 371 148 355 45 296 265 401 191 341 74 0.733 40.63 631.5 75 99 74 96 369 12.3 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BQLD_R~1-N1056 ? Homosalate 40.9931 2058.3 8.1 scans 29% 138 m/z (168) 1.9% 0.100% 6285 1.1 52 8528 344127 304830 1-4 8: 138 121 109 124 64 93 92 122 0.836 41.00 672.5 72 96 71 94 262 8.6 2.701 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4217 2111.4 7.7 scans 44% 205 m/z (222) 1.3% 0.223% 6359 1.0 82 12335 767122 696766 2-2 17: 205 175 189 220 217 206 176 232 109 160 163 191 79 178 81 136 121 0.591 41.49 -85.2 77 98 57 95 276 7.0 0.000 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1028 ?? Diterpene 42.0min 41.9978 2147.9 7.2 scans 42% 74 m/z (109) 1.9% 0.0754% 6456 0.9 48 8570 0.0774% 259033 228801 265790 3-2 16: 74 87 213 144 75 171 157 143 113 227 270 185 56 59 101 258 0.703 42.01 745.9 61 92 70 87 272 0.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3650 2168.5 7.3 scans 52% 73 m/z 0.76% 0.174% 6518 1.0 77 21698 599619 540974 3-2 20: 73 147 281 355 221 325 503 429 282 207 222 356 205 295 343 341 357 328 463 399 0.703 42.37 759.5 74 97 72 95 503 15.5 4.096 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN HCMIX_~1-N1020 ? Icosane 43.8414 2251.4 8.2 scans 51% 57 m/z (220) 2.1% 0.0908% 6768 1.5 51 7913 312075 294323 1-3 17: 57 71 113 43 155 56 267 197 72 67 55 86 239 282 83 112 169 0.707 43.94 -5.3 70 83 68 79 282 4.0 0.000 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8019 2364.1 7.2 scans 46% 73 m/z 1.2% 0.106% 7101 1.0 60 13206 367092 342694 2-5 19: 73 355 147 282 356 281 221 148 429 357 296 339 145 133 416 223 341 328 342 0.683 45.78 1.5 88 91 62 87 503 6.5 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5015 2461.9 7.6 scans 87% 138 m/z 0.17% 1.29% 7388 1.4 202 97939 4458047 4063428 2-4 20: 138 120 121 57 43 139 55 71 41 70 69 111 168 92 56 65 306 85 93 83 0.946 47.50 949.1 79 100 95 99 168 24.9 1.524 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6916 2472.8 8.0 scans 41% TIC 2.2% 0.0478% 7420 1.3 45 7282 164242 139456 1-5 0.674 44.32 1025.5 73 98 68 95 369 11.9 0.000 3.372 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9443 2544.9 8.2 scans 40% TIC 1.8% 0.0593% 7633 1.0 44 8867 203664 184039 2-6 0.541 48.95 994.5 73 98 54 94 429 16.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_3.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8564 2712.5 8.1 scans 26% TIC 2.6% 0.0281% 8126 1.5 32 6394 96509 90412 3-3 0.405 51.86 1081.6 61 87 38 81 503 8.2 6.490 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1339 771.9 14.8 scans 46% 77 m/z (73) 0.71% 0.196% 42 3.1 44 20919 380891 335952 4-2 10: 77 75 76 61 62 92 58 127 37 63 0.844 4.37 17.9 93 100 87 99 77 39.8 82.202 -0.237 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1016 ? Pivalic acid 6.1457 824.3 8.5 scans 57% 57 m/z (102) 1.1% 0.115% 383 0.8 41 12520 223431 211818 2-1 6: 57 41 58 56 38 86 0.802 6.03 -137.3 71 96 82 94 102 2.1 0.000 0.113 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1014 Contamination 6.52min 6.5926 835.9 10.1 scans 72% 207 m/z 0.26% 0.664% 458 2.7 85 57513 1288445 1128510 1-3 20: 207 208 209 96 133 191 193 89 165 149 192 177 210 103 115 117 119 134 116 176 0.843 6.53 -140.9 80 100 85 99 207 66.1 59.797 0.065 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1002 ?? IS d3-Acetophenone 11.4611 962.6 >22 scans 40% 105 m/z 3.6% 0.0759% 1283 1.8 26 4148 147266 147266 0-0 6: 105 77 76 51 50 62 0.625 15.17 -34.8 62 73 65 72 123 0.0 0.000 -3.709 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKSTART-N1002 Contamination 12.22min 12.2403 982.9 7.2 scans 78% TIC 0.072% 1.89% 1415 1.6 179 206263 3667240 3134608 2-5 0.860 12.22 36.6 95 100 91 100 281 125.1 48.894 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKSTART-N1004 Contamination 12.42min 12.4351 988.0 7.5 scans 36% 57 m/z 0.50% 0.197% 1448 1.4 61 29872 383657 336669 3-5 15: 57 56 41 71 134 69 112 155 53 113 285 95 60 99 39 0.759 12.42 38.3 80 91 84 99 281 6.2 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1040 ? Decane 12.8353 998.4 7.7 scans 18% TIC 5.4% 0.00967% 1516 1.0 17 2730 0.0129% 18764 17884 25016 5-0 0.361 12.90 -1.6 71 89 31 82 142 4.5 0.000 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1022 ?? Octanal 12.9770 1002.2 8.6 scans 40% 84 m/z (59) 7.2% 0.0806% 1540 1.6 33 2060 156477 130247 3-2 13: 84 55 43 57 81 56 53 85 110 58 67 68 95 0.605 12.96 -172.6 63 98 64 94 110 4.6 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1024 ?? p-Cymene 13.7551 1023.3 >12 scans 29% TIC 3.0% 0.0184% 1672 1.5 22 4859 35747 33104 1-2 0.605 13.76 -176.2 66 97 57 93 134 9.8 20.064 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1016 ?? Limonene 13.9227 1027.8 8.7 scans 18% 68 m/z 3.3% 0.0588% 1700 1.4 30 4447 114096 104357 1-3 18: 68 93 67 80 70 140 136 41 121 69 84 79 56 39 82 92 108 97 0.238 13.89 52.5 66 96 42 92 136 9.0 0.000 0.031 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 14.5066 1043.6 18.6 scans 50% 91 m/z (121) 1.4% 0.138% 1799 1.9 33 10556 268940 240049 5-1 4: 91 59 65 51 0.730 14.44 58.8 75 93 69 92 120 12.4 13.937 0.065 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1002 ?? Undecane 16.5975 1100.4 12.6 scans 26% 57 m/z (127) 7.1% 0.0410% 2154 1.9 21 2103 79683 77350 5-0 4: 57 85 84 113 0.564 16.59 0.4 67 79 49 74 156 0.0 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1016 Nonanal 16.8029 1109.1 8.8 scans 84% 57 m/z 0.35% 1.71% 2188 1.7 159 41790 3328196 2960557 2-3 20: 57 41 56 43 55 82 98 96 70 44 69 68 81 95 67 42 39 71 54 45 0.926 16.82 86.7 82 100 93 99 124 14.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1006 Contamination 18.13min 18.0851 1163.3 7.7 scans 86% 73 m/z 0.061% 4.40% 2405 1.5 275 245422 8545698 8160402 1-3 20: 73 355 267 356 268 357 269 251 74 358 193 339 249 191 75 154 59 179 45 223 0.910 18.13 -168.4 80 99 90 99 355 121.0 19.426 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1012 ?? Nicotine 19.6082 1227.6 12.3 scans 5.4% 103 m/z 13% 0.00294% 2664 4.9 9 1113 0.00595% 5701 5701 11538 0-0 2: 103 133 0.392 25.78 72.3 63 100 100 100 162 0.0 0.000 -6.170 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.9659 1242.7 20.7 scans 42% TIC 1.3% 0.239% 2724 2.3 47 11223 465227 426708 2-0 0.598 19.81 175.2 61 81 62 94 144 0.0 0.000 0.152 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1004 ? Dodecane 20.3278 1257.9 7.9 scans 33% 71 m/z 2.8% 0.0546% 2785 0.9 32 5352 105898 93220 1-3 8: 71 43 85 170 99 42 84 98 0.554 20.32 0.2 77 89 48 82 170 6.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1032 ?? UNK Hydrocarbon 20.56min 20.5498 1264.6 9.1 scans 39% TIC 3.1% 0.113% 2823 1.0 44 4734 220599 200602 3-5 0.532 20.56 185.9 67 98 55 94 128 5.3 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5521 1264.7 8.5 scans 61% 96 m/z (89) 3.3% 0.192% 2823 1.1 54 4489 372433 344415 3-3 7: 96 70 81 71 83 66 138 0.766 16.82 -26.7 71 79 73 78 124 0.0 0.000 3.737 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4973 1293.0 6.9 scans 60% 281 m/z 1.1% 0.180% 2983 1.3 61 13190 350409 324318 3-2 19: 281 147 73 148 282 207 265 283 369 177 149 191 371 370 284 266 209 251 208 0.772 21.56 -145.7 78 99 76 98 369 16.9 7.650 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1006 Tridecane 23.8403 1363.3 8.2 scans 44% 57 m/z (110) 3.6% 0.0877% 3380 1.3 38 4119 170121 158591 1-3 16: 57 85 71 112 58 86 99 113 127 108 56 72 70 123 69 169 0.706 23.86 -0.7 81 93 74 89 184 5.1 1.764 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1002 Contamination 24.17min 24.1112 1372.3 8.3 scans 88% 73 m/z 0.050% 5.80% 3426 1.1 315 295935 11265934 10743183 1-3 20: 73 341 429 342 147 325 343 430 74 326 207 344 431 327 148 75 45 149 311 191 0.933 24.17 -151.5 80 100 92 99 429 96.8 9.460 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1004 ?? Nicotine 25.6827 1424.8 18.5 scans 15% 85 m/z 7.8% 0.0358% 3692 0.0 24 1916 0.0671% 69474 63639 130120 4-0 9: 85 118 130 134 162 92 161 120 154 0.277 25.89 267.8 64 88 31 87 162 12.1 25.947 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1379 1473.4 6.7 scans 69% 221 m/z 0.44% 0.543% 3938 1.0 107 34012 1053826 995910 2-2 20: 221 73 147 281 222 267 148 223 205 268 282 74 283 445 149 207 357 356 249 183 0.827 27.12 298.5 77 98 82 97 355 20.7 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1008 Tetradecane 27.1751 1474.7 8.0 scans 50% 57 m/z 1.1% 0.195% 3945 1.0 60 13164 378384 344332 2-3 18: 57 43 56 41 99 112 55 70 126 98 113 141 42 72 86 168 58 83 0.734 27.21 -1.1 89 93 69 89 198 8.6 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5429 1563.5 7.9 scans 86% TIC 0.10% 2.97% 4346 1.3 227 137257 5770994 5171099 3-4 0.934 29.61 -149.6 79 99 92 98 503 38.9 2.925 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1022 ?? Nicotyrine 29.8126 1573.7 >11 scans 17% 158 m/z (95) 4.1% 0.0307% 4391 8.9 23 3593 0.113% 59631 50448 219130 0-3 8: 158 157 156 117 130 159 65 63 0.417 29.68 361.1 63 91 50 90 158 16.5 52.573 0.131 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1212 ?? Hexadecene 30.0854 1583.9 7.5 scans 55% 41 m/z 3.0% 0.148% 4438 0.9 56 4856 287478 278735 1-2 20: 41 97 55 57 83 69 43 56 70 84 71 126 85 210 82 67 98 53 140 110 0.738 33.09 -124.8 63 90 71 88 224 0.0 0.000 -3.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1010 Pentadecane 30.3221 1592.8 7.4 scans 46% 57 m/z 1.8% 0.0943% 4478 1.4 44 7971 182933 173119 1-5 14: 57 71 85 43 41 141 112 56 113 140 86 127 84 94 0.670 30.38 -2.1 84 89 60 84 212 5.9 0.000 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1200 Contamination 32.08min 32.1149 1667.9 6.6 scans 65% 221 m/z 0.87% 0.214% 4782 1.0 68 17148 415407 393331 2-3 19: 221 73 147 295 207 222 341 209 325 281 74 279 267 326 356 148 343 355 149 0.759 32.08 1.5 94 96 75 94 355 13.1 3.733 0.036 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 32.4408 1681.6 6.4 scans 32% 57 m/z (58) 4.4% 0.0372% 4837 1.0 27 3368 0.0399% 72206 61589 77374 4-3 13: 57 196 197 71 43 97 113 127 168 56 70 281 72 0.564 33.90 -46.7 73 87 54 83 197 8.1 9.077 -1.455 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9390 1702.6 7.8 scans 59% 71 m/z 0.36% 0.290% 4921 0.9 74 41005 562390 509989 10-2 18: 71 43 159 56 41 243 155 110 128 44 83 69 55 178 97 111 45 160 0.786 32.93 0.3 90 94 79 95 243 12.2 2.758 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1012 Hexadecane 33.3098 1718.1 7.7 scans 53% TIC 1.1% 0.167% 4984 1.1 59 13248 324171 288713 2-2 0.664 33.37 -2.7 83 93 63 88 226 8.3 0.000 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4048 1735.6 7.1 scans 72% 73 m/z 0.56% 0.416% 5170 1.0 91 26453 808457 762797 2-2 19: 73 355 147 221 281 356 357 222 267 282 74 327 149 403 417 339 358 148 207 0.797 34.39 452.6 75 96 75 94 415 11.4 1.570 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.9066 1742.7 8.1 scans 14% 68 m/z (67) 7.7% 0.0153% 5254 5.1 19 1938 0.0235% 29863 26289 45571 0-1 10: 68 111 54 112 125 109 224 98 126 169 0.439 34.90 0.0 60 70 28 70 224 5.3 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 36.5737 1766.6 6.0 scans 34% 221 m/z (110) 2.5% 0.0570% 5537 1.1 35 5855 110714 104235 7-6 18: 221 147 73 223 222 281 131 325 296 297 208 148 191 369 267 370 74 205 0.533 44.32 319.3 66 97 54 92 369 8.2 5.489 -7.746 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2101 1775.7 8.3 scans 31% 167 m/z (193) 4.6% 0.0215% 5645 2.9 25 3208 0.0413% 41821 41821 80089 0-0 14: 167 89 210 224 209 181 152 166 103 225 179 116 128 141 0.567 37.20 449.4 63 89 51 88 224 11.7 21.622 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN TAB_REP1-N1028 ?? Contamination 38.59min 38.6157 1795.8 7.1 scans 42% TIC 1.3% 0.105% 5883 0.9 46 11303 204102 174508 10-4 0.537 38.59 447.7 67 91 49 87 429 18.6 16.147 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN HCMIX_~1-N1016 ?? Octadecane 38.8341 1798.9 7.9 scans 37% 85 m/z 3.5% 0.0532% 5920 0.9 30 4175 103352 90335 5-0 13: 85 57 71 113 43 72 140 70 197 69 56 58 126 0.656 38.91 -1.1 64 72 50 66 254 4.0 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3264 1975.6 >5 scans 38% 149 m/z 1.3% 0.0347% 6173 6.6 30 10956 0.0609% 67467 58584 118097 0-7 6: 149 167 76 150 75 132 0.606 40.31 600.7 62 91 58 89 223 8.5 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BQLD_R~1-N1056 ?? Homosalate 41.0006 2059.2 7.9 scans 24% 109 m/z (121) 5.6% 0.0433% 6287 1.2 24 2645 84105 71905 5-3 10: 109 120 138 124 69 139 262 67 125 80 0.461 41.00 673.4 63 92 43 90 262 5.8 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4303 2112.5 8.8 scans 18% TIC 3.7% 0.0578% 6360 1.0 31 4042 112158 97904 3-3 0.264 41.49 -84.1 71 93 23 87 276 4.5 0.000 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BMN_RE~1-N1028 ?? Diterpene 42.0min 42.0207 2149.2 10.5 scans 36% TIC 2.5% 0.0700% 6460 1.1 32 5996 135914 135914 0-0 0.504 42.01 747.2 64 88 47 84 272 0.0 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.7994 2363.9 7.4 scans 54% 73 m/z 3.0% 0.0657% 7100 0.9 35 4964 127482 119889 1-2 19: 73 283 147 356 149 281 357 221 355 222 148 75 415 431 461 325 208 209 429 0.674 45.78 1.3 78 82 54 78 503 4.4 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1018 ?? Contamination 48.95min 54.6142 2871.2 8.8 scans 46% 73 m/z (297) 2.4% 0.123% 8593 1.1 43 6059 240126 213218 2-5 19: 73 369 221 265 415 356 74 430 341 223 325 75 282 147 148 355 268 295 283 0.676 48.95 1320.8 68 92 66 90 429 10.9 6.400 5.665 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8911 3059.7 10.8 scans 35% 356 m/z (148) 3.3% 0.0909% 9148 1.1 33 4490 176455 154659 4-4 16: 356 73 357 355 222 415 296 504 205 74 325 295 341 147 149 401 0.591 45.81 1583.2 64 91 61 87 503 4.4 0.000 12.079 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1238 771.6 13.1 scans 48% 77 m/z (71) 0.79% 0.153% 40 5.5 42 18892 363407 325213 4-1 13: 77 79 57 47 45 62 75 78 59 60 86 127 38 0.855 4.37 17.6 95 99 89 99 77 37.5 80.794 -0.247 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1016 ? Pivalic acid 6.1592 824.6 8.7 scans 60% 57 m/z 0.85% 0.114% 385 0.6 47 17572 272625 240646 2-3 9: 57 41 87 39 59 102 92 45 37 0.818 6.03 -137.0 72 98 77 95 102 5.9 0.000 0.126 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5878 835.8 10.3 scans 71% TIC 0.25% 0.425% 458 2.0 84 59587 1008110 933744 1-2 0.802 6.53 -141.0 79 100 81 99 207 66.6 63.075 0.060 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKSTART-N1002 Contamination 12.22min 12.2349 982.8 7.3 scans 78% 281 m/z 0.097% 1.27% 1414 1.6 153 153770 3020668 2473169 2-7 20: 281 282 283 265 191 249 193 133 207 73 284 251 177 205 266 119 163 125 126 285 0.875 12.22 36.5 95 100 92 100 281 107.0 48.929 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKSTART-N1004 Contamination 12.42min 12.4280 987.8 7.4 scans 29% 57 m/z 0.67% 0.109% 1447 1.5 51 22273 259796 231412 1-5 14: 57 56 138 55 43 41 67 113 112 52 85 83 77 54 0.733 12.42 38.1 80 100 84 98 281 6.0 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1022 ? Octanal 12.9610 1001.8 8.7 scans 43% 54 m/z (59) 8.6% 0.0519% 1538 1.6 30 1725 123275 117026 1-2 8: 54 68 56 81 84 95 69 58 0.634 12.96 -173.0 70 98 65 94 110 4.3 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1016 ?? Limonene 13.9174 1027.7 8.7 scans 26% 84 m/z (89) 6.5% 0.0415% 1699 1.4 29 2295 0.0443% 98463 98463 105055 0-0 12: 84 94 82 68 93 98 92 54 136 91 53 58 0.453 13.89 52.4 68 94 51 91 136 6.4 4.986 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 14.4929 1043.3 14.6 scans 34% TIC 3.0% 0.0223% 1797 1.2 21 4944 53097 48426 3-0 0.584 14.44 58.5 72 97 57 95 120 9.5 19.590 0.051 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.2155 1062.8 >23 scans 56% 105 m/z (71 50) 2.0% 0.138% 1919 3.0 36 7341 329094 314465 2-0 9: 105 77 123 78 46 106 52 74 56 0.799 15.17 65.4 80 98 80 97 123 14.1 15.317 0.045 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1002 ? Undecane 16.5921 1100.2 8.1 scans 76% 71 m/z (126) 0.79% 0.406% 2153 1.5 86 18811 0.415% 963315 866236 984152 2-4 19: 71 57 43 84 41 70 113 55 56 69 155 170 42 39 112 98 128 68 72 0.876 16.59 0.2 78 84 84 83 156 0.0 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1016 Nonanal 16.8023 1109.1 8.8 scans 75% 57 m/z 0.50% 0.833% 2188 1.5 122 29613 1976147 1757647 3-4 20: 57 43 41 82 55 56 98 70 71 69 44 68 95 81 67 127 54 42 39 99 0.832 16.82 86.7 80 100 88 98 124 10.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN GLAU_R~1-N1084 ?? Pentadecane 17.0951 1121.5 8.7 scans 35% TIC 3.7% 0.0317% 2237 0.9 28 4023 75181 66241 4-0 0.559 24.54 -15.8 61 70 47 67 169 0.0 0.000 -7.447 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1006 Contamination 18.13min 18.0839 1163.2 7.6 scans 83% 73 m/z 0.078% 2.91% 2405 1.4 243 190961 6921923 6273153 2-3 20: 73 355 267 356 268 357 269 251 74 193 249 179 191 323 75 59 45 154 270 171 0.888 18.13 -168.5 80 99 87 99 355 109.5 20.347 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2439 1170.0 8.3 scans 22% 281 m/z 3.3% 0.0187% 2432 1.8 18 4515 44475 40316 1-3 9: 281 193 282 265 249 283 191 75 209 0.434 12.25 16.9 67 92 38 88 281 18.3 100.000 5.993 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1012 ? Nicotine 18.9759 1200.9 12.8 scans 7.3% 133 m/z 8.4% 0.00537% 2556 2.9 12 1784 0.00924% 12741 10357 21912 0-8 4: 133 77 63 119 0.193 25.78 45.6 71 100 100 100 162 0.0 0.000 -6.802 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9092 1240.3 20.2 scans 64% 57 m/z 0.85% 0.448% 2714 2.7 67 17462 1063371 1006395 1-1 14: 57 45 72 41 89 56 102 55 101 131 71 75 90 59 0.780 19.81 172.8 76 99 83 97 144 0.0 0.000 0.095 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 7.7 scans 47% 71 m/z (69) 2.6% 0.0723% 2783 1.3 38 5594 171691 163312 2-2 15: 71 57 43 85 170 72 126 70 54 141 42 58 97 86 98 0.710 20.32 -0.2 91 97 72 93 170 6.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1034 ? Decanal 20.5456 1264.5 8.8 scans 55% 41 m/z (110) 3.8% 0.132% 2822 0.9 48 3912 314585 271350 2-5 16: 41 57 82 43 56 109 113 55 44 42 67 100 81 45 66 99 0.743 20.57 -142.5 72 99 76 97 138 3.8 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1006 ? Arosol 21.0190 1278.7 14.8 scans 47% 94 m/z (45) 1.4% 0.141% 2903 1.5 38 10285 336039 298411 3-3 4: 94 77 138 107 0.751 20.98 193.7 73 97 73 96 152 1.9 0.000 0.036 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4866 1292.7 7.0 scans 64% 281 m/z 0.66% 0.235% 2982 1.1 76 22567 557599 533270 1-2 20: 281 147 73 282 283 149 148 207 267 249 370 252 266 191 133 284 74 193 251 117 0.754 21.56 -146.0 78 100 76 99 369 21.4 7.937 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1016 ? Nicotine 22.7074 1329.3 >18 scans 61% 96 m/z (72) 1.1% 0.490% 3189 0.8 72 13229 1162161 1062733 5-0 13: 96 111 74 158 61 39 59 83 84 102 139 141 341 0.739 25.35 180.1 72 99 76 98 162 0.0 0.000 -2.647 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1002 Contamination 24.17min 24.0958 1371.8 8.6 scans 89% 341 m/z 0.032% 8.52% 3423 1.3 407 460309 20227311 18699671 2-3 20: 341 73 429 342 325 147 343 430 431 74 326 207 327 344 432 75 148 251 45 59 0.954 24.17 -152.0 80 99 94 99 429 126.9 9.718 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1006 ? Tridecane 24.5445 1386.8 8.3 scans 64% TIC 0.80% 0.286% 3499 1.4 77 18681 678797 597673 2-2 0.775 23.86 22.8 76 77 75 82 184 0.0 0.000 0.682 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1032 ?? Dodecane 25.1454 1406.9 11.7 scans 43% 71 m/z (133) 3.4% 0.0837% 3601 2.0 35 4312 198680 173559 3-6 8: 71 99 85 41 141 126 169 72 0.737 20.36 6.7 65 74 73 72 170 1.8 0.000 4.787 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1213 1472.9 6.6 scans 85% 221 m/z 0.18% 1.19% 3936 1.0 175 83244 2833246 2701932 1-2 20: 221 73 147 281 222 267 355 148 223 282 443 268 283 74 356 149 207 191 444 249 0.937 27.12 298.0 78 98 92 98 355 33.0 3.560 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1008 Tetradecane 27.1709 1474.5 7.7 scans 62% 57 m/z (140) 1.1% 0.210% 3944 0.9 65 13270 500240 444837 4-1 17: 57 71 43 85 86 41 55 198 169 56 126 70 113 98 112 97 83 0.894 27.21 -1.3 90 95 87 92 198 8.4 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5269 1562.9 8.3 scans 90% TIC 0.051% 5.95% 4343 1.3 346 291476 14118261 13048245 2-3 0.962 29.61 -150.2 79 99 95 99 503 59.6 2.971 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1212 ?? Hexadecene 30.0753 1583.6 7.4 scans 46% 97 m/z 3.9% 0.0848% 4437 1.1 47 3778 201281 193102 0-2 17: 97 83 57 70 41 84 140 111 68 71 125 98 210 96 55 138 85 0.674 33.09 -125.1 65 91 65 88 224 0.0 0.000 -3.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1010 Pentadecane 30.3238 1592.9 7.3 scans 60% 57 m/z (105) 1.6% 0.132% 4478 1.2 54 9234 314171 312885 0-2 18: 57 71 85 43 41 126 56 99 55 83 169 70 168 86 42 72 96 212 0.829 30.38 -2.0 89 96 79 92 212 7.0 0.000 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9201 1659.7 8.2 scans 45% 83 m/z (115) 2.6% 0.0982% 4749 0.9 42 5579 233004 210973 2-2 9: 83 82 67 55 71 68 210 41 127 0.788 31.92 0.0 72 82 72 78 219 0.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0989 1667.3 6.8 scans 83% 221 m/z 0.20% 0.935% 4779 1.0 153 74009 2218146 2099862 2-2 20: 221 73 147 222 295 207 355 341 223 148 325 74 296 279 356 267 208 297 342 149 0.908 32.08 0.9 96 97 89 97 355 27.8 3.299 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1204 ?? Hydrocarbon 32.4min RI1681 32.4348 1681.4 7.5 scans 26% 71 m/z (197) 5.7% 0.0314% 4836 1.4 24 2588 74661 65293 1-2 11: 71 196 57 127 56 140 69 43 141 401 155 0.561 32.44 -0.3 68 78 52 72 226 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9325 1702.3 7.7 scans 61% 71 m/z 0.30% 0.297% 4921 1.0 82 49824 706369 632532 9-2 20: 71 43 159 243 173 111 41 56 72 69 83 143 55 155 126 42 127 70 95 98 0.817 32.93 -0.0 90 94 80 94 243 13.9 2.871 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1012 Hexadecane 33.3091 1718.1 7.7 scans 68% 57 m/z (73) 0.96% 0.277% 4984 1.1 76 15602 658245 603411 1-2 20: 57 71 85 43 41 183 127 55 113 99 56 70 140 83 215 69 227 84 97 154 0.853 33.37 -2.7 84 92 82 89 226 9.8 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3942 1735.4 7.5 scans 80% 73 m/z 0.22% 1.04% 5168 1.1 154 65342 2487349 2315874 2-2 20: 73 355 147 221 356 281 401 357 402 222 415 325 148 267 282 327 283 328 385 358 0.867 34.39 452.4 78 98 85 97 415 19.9 1.666 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9036 1742.7 7.5 scans 28% 68 m/z (57) 6.7% 0.0324% 5254 0.9 26 2216 77032 71155 1-2 5: 68 224 69 54 139 0.626 34.90 -0.0 75 87 61 81 224 4.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1014 ?? Heptadecane 36.1356 1760.3 8.3 scans 62% 57 m/z (168) 1.0% 0.223% 5463 0.9 65 14103 529991 498848 2-1 19: 57 71 43 85 41 240 55 99 126 56 70 72 83 112 98 241 69 128 84 0.826 36.21 -90.6 63 89 76 84 240 8.8 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5672 1766.5 6.4 scans 60% 221 m/z 0.78% 0.237% 5536 1.0 78 19061 562976 527254 2-3 20: 221 73 147 295 207 208 281 222 267 369 223 191 356 265 74 205 325 296 341 282 0.774 36.58 450.0 75 96 76 94 369 14.4 3.410 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6097 1795.7 7.0 scans 59% 73 m/z 0.73% 0.227% 5882 0.9 74 20444 540294 502330 2-3 20: 73 429 221 355 147 281 430 74 249 431 356 207 401 223 222 342 265 327 149 357 0.703 38.59 447.6 73 95 66 93 429 26.7 12.993 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN HCMIX_~1-N1016 Octadecane 38.8299 1798.9 7.8 scans 58% TIC 1.2% 0.147% 5919 1.1 59 11937 350650 318172 3-2 0.719 38.91 -1.1 88 93 68 88 254 7.5 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN TAB_REP1-N1018 ?? Neophytadiene 39.7597 1905.3 7.7 scans 66% 68 m/z (125) 3.8% 0.151% 6077 0.9 56 3888 358544 324059 2-2 20: 68 82 95 123 55 81 43 97 65 41 96 124 67 94 83 109 71 110 179 79 0.832 39.94 536.2 65 89 78 87 278 4.8 0.000 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3163 1974.4 8.8 scans 57% 149 m/z 0.50% 0.156% 6171 1.1 54 29521 371966 347710 1-2 16: 149 57 167 223 150 76 123 58 50 65 122 105 205 56 104 356 0.771 40.31 599.5 76 98 74 96 223 13.8 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6056 2010.2 6.7 scans 44% 221 m/z 2.9% 0.0508% 6220 1.1 36 5169 120654 107891 2-2 20: 221 73 207 147 267 295 281 222 279 369 296 371 265 341 355 327 370 208 149 74 0.619 40.63 630.1 69 93 59 89 369 7.9 4.926 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BQLD_R~1-N1056 ? Homosalate 40.9941 2058.4 9.7 scans 24% TIC 4.3% 0.0325% 6286 1.3 25 3432 0.0420% 77134 70873 99601 1-0 0.386 41.00 672.6 71 96 36 92 262 5.2 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4303 2112.5 8.7 scans 29% TIC 1.4% 0.170% 6360 0.8 58 10070 403525 360689 4-4 0.366 41.49 -84.1 77 97 35 93 276 6.1 0.000 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1028 ?? Diterpene 42.0min 42.0088 2148.5 >6 scans 50% TIC 1.5% 0.0742% 6458 999.0 46 9413 0.102% 175983 163586 241888 0-4 0.665 42.01 746.5 65 92 60 87 272 0.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3589 2168.2 7.4 scans 51% 73 m/z 1.3% 0.117% 6517 1.1 51 11052 277682 258141 2-7 20: 73 429 355 431 147 282 267 281 133 74 221 193 265 295 149 341 223 222 75 416 0.633 42.37 759.2 70 93 62 89 503 11.2 4.779 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7993 2363.9 7.4 scans 46% 73 m/z 2.2% 0.0721% 7100 0.8 40 6778 171026 150569 3-4 20: 73 355 147 221 401 415 281 222 282 429 357 191 431 149 356 430 325 283 205 295 0.602 45.78 1.3 82 86 53 82 503 5.7 2.061 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9346 2544.4 7.6 scans 48% 355 m/z 2.6% 0.0654% 7630 1.2 37 5611 155235 143633 1-3 19: 355 147 283 356 74 221 149 430 357 265 295 73 369 75 429 401 222 282 415 0.612 48.95 994.0 68 92 55 88 429 13.4 12.960 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8443 2711.8 8.2 scans 27% 221 m/z 2.2% 0.0488% 8124 1.1 32 6781 115792 105085 2-8 19: 221 73 147 281 357 431 296 223 356 295 430 341 503 325 148 401 343 74 355 0.347 51.86 1080.9 64 89 36 85 503 8.7 7.404 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6088 2870.9 9.0 scans 41% 221 m/z 2.3% 0.0926% 8593 1.2 41 6311 219711 188138 6-6 16: 221 73 147 355 281 222 358 429 342 295 296 282 369 145 223 283 0.554 45.81 1394.4 68 94 58 90 503 7.3 3.117 8.797 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1172 771.4 17.8 scans 38% 77 m/z (75) 1.4% 0.0761% 39 3.4 34 10589 205421 190029 2-0 8: 77 45 63 59 46 47 38 60 0.823 4.37 17.4 91 99 85 98 77 31.2 86.136 -0.254 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1016 ? Pivalic acid 6.1356 824.0 9.2 scans 65% 57 m/z (83) 1.9% 0.0576% 381 1.1 36 7580 155400 138401 6-2 9: 57 56 41 39 52 102 45 42 50 0.874 6.03 -137.6 74 97 87 97 102 4.8 0.000 0.103 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1014 Contamination 6.52min 12.2827 984.0 8.1 scans 43% 207 m/z 2.1% 0.0303% 1422 1.7 29 7099 81733 72543 2-3 12: 207 133 104 191 208 177 209 96 73 75 119 224 0.564 6.53 7.2 81 96 61 94 207 25.5 79.996 5.755 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKSTART-N1002 Contamination 12.22min 12.6841 994.5 7.0 scans 78% 281 m/z 0.14% 0.713% 1491 1.4 142 103908 1922948 1742927 1-4 19: 281 282 283 193 249 191 133 265 73 207 284 125 205 251 163 179 235 177 267 0.859 12.22 48.2 91 98 87 100 281 97.7 47.104 0.464 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKSTART-N1004 ? Contamination 12.42min 12.8772 999.5 6.9 scans 31% 57 m/z (265) 1.1% 0.0696% 1523 1.1 46 13162 187816 163969 2-6 10: 57 56 41 138 71 99 85 70 83 285 0.758 12.42 49.8 72 82 86 97 281 5.8 0.000 0.458 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1022 ?? Octanal 13.3612 1012.6 7.3 scans 55% 68 m/z (73) 7.1% 0.0436% 1605 1.6 37 2092 117633 116952 0-2 9: 68 57 84 39 95 110 54 100 85 0.716 12.96 -162.2 69 96 73 93 110 5.8 0.000 0.406 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1024 ? p-Cymene 14.0962 1032.5 8.6 scans 53% 119 m/z (65) 1.9% 0.0483% 1729 1.7 34 7699 130475 115326 2-6 9: 119 134 120 58 91 135 117 63 92 0.735 13.76 -167.0 70 95 72 94 134 12.9 14.407 0.339 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4788 1070.0 12.7 scans 92% 105 m/z 0.058% 3.93% 1964 1.8 257 257063 10600740 9733972 2-2 20: 105 77 123 51 46 106 50 74 124 75 52 79 49 38 37 39 73 62 65 40 0.978 15.17 72.6 88 100 98 100 123 90.1 12.308 0.309 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1002 Undecane 16.8188 1109.8 7.8 scans 83% 57 m/z (113) 0.34% 0.664% 2191 1.2 137 44043 1791306 1692593 1-5 19: 57 43 71 85 41 56 55 70 156 84 99 42 69 39 72 268 83 53 100 0.958 16.59 9.8 96 99 96 98 156 19.2 1.968 0.232 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1016 Nonanal 16.9918 1117.1 8.4 scans 89% TIC 0.48% 0.859% 2220 1.6 152 30776 2318242 2189783 1-3 0.954 16.82 94.7 81 100 96 99 124 10.7 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1004 Blank_Nonanal 16.9953 1117.2 8.3 scans 86% 57 m/z 0.50% 0.827% 2220 1.3 150 29725 2230659 1954960 2-4 20: 57 41 56 55 98 43 70 82 44 69 96 68 95 42 83 81 45 114 58 66 0.958 16.82 -174.2 80 99 96 99 124 10.5 0.000 0.180 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1006 Contamination 18.13min 18.2202 1169.0 7.6 scans 86% TIC 0.094% 1.85% 2428 1.4 233 159282 5010432 4749291 1-3 0.909 18.13 -162.7 80 100 90 99 355 96.0 17.014 0.089 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3726 1175.4 9.8 scans 28% 281 m/z (133) 2.6% 0.0345% 2454 1.8 28 5670 93055 79114 1-4 10: 281 283 207 191 208 73 267 66 39 193 0.523 12.25 22.3 77 90 39 87 281 22.8 68.064 6.122 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.9889 1201.5 10.6 scans 56% TIC 4.0% 0.102% 2558 1.3 49 3700 276932 244300 3-1 0.680 18.83 148.8 65 92 64 94 122 2.4 0.000 0.159 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 20.0503 1246.3 15.6 scans 34% TIC 4.5% 0.0178% 2738 0.0 29 3316 0.0327% 48251 48251 88177 0-0 0.639 19.81 178.8 61 93 63 88 144 0.0 0.000 0.236 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1004 Dodecane 20.4145 1260.5 7.4 scans 42% TIC 3.6% 0.0249% 2800 0.8 34 4062 67220 63719 1-1 0.689 20.32 2.8 87 92 65 87 170 5.9 0.000 0.094 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1034 ?? Decanal 20.6223 1266.8 >8 scans 27% 68 m/z (110) 4.1% 0.0865% 2835 2.1 50 3656 0.216% 233426 217962 582454 0-1 13: 68 44 113 55 108 83 81 112 66 71 52 72 92 0.859 20.57 -140.2 61 86 71 84 138 0.0 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1038 ? Contamination 21.56min 21.5473 1294.5 6.7 scans 67% 281 m/z 0.98% 0.149% 2991 1.1 73 15229 402296 378960 2-2 20: 281 147 73 282 283 207 265 284 371 149 192 249 74 370 189 208 75 266 191 193 0.811 21.56 -144.2 79 100 81 99 369 17.5 5.764 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1016 ? Nicotine 22.8679 1334.2 15.8 scans 73% 60 m/z 0.27% 1.69% 3215 0.3 171 54677 4557732 4117467 1-5 20: 60 73 57 115 129 43 55 41 87 98 69 61 39 101 45 42 74 56 99 70 0.893 25.35 185.0 76 99 88 98 162 0.0 0.000 -2.486 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1006 ? Tridecane 23.8750 1364.4 7.8 scans 41% 95 m/z (114) 4.8% 0.0489% 3387 1.2 37 3090 131877 119391 1-3 19: 95 85 57 43 147 71 41 69 127 56 55 84 111 86 98 42 112 54 97 0.713 23.86 0.4 79 89 77 85 184 3.6 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1002 Contamination 24.17min 24.1289 1372.9 8.2 scans 89% 73 m/z 0.040% 4.76% 3429 1.3 365 368258 12856856 12149039 2-3 20: 73 341 429 342 147 325 343 74 431 326 207 430 327 344 75 148 59 45 191 311 0.950 24.17 -150.9 80 100 95 99 429 98.8 7.340 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2345 1409.8 7.9 scans 49% 43 m/z (148) 1.2% 0.0717% 3616 1.4 44 11909 193598 169101 6-6 6: 43 103 116 145 86 115 0.910 25.24 -150.1 75 99 88 98 145 16.4 13.973 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1044 ?? 3,5-Octanedione, 2,2,7-trimethyl- 25.7582 1427.3 8.0 scans 53% 57 m/z (80) 1.3% 0.166% 3705 1.0 67 10875 450159 404051 7-2 11: 57 156 127 184 67 100 109 72 103 112 141 0.847 25.75 -149.6 68 93 78 92 184 14.9 4.862 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1336 1473.3 6.8 scans 83% TIC 0.37% 0.495% 3938 1.4 131 40031 0.570% 1335768 1221305 1537031 8-0 0.921 27.12 298.4 77 97 89 97 355 22.8 3.032 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1008 Tetradecane 27.1933 1475.3 7.8 scans 64% 57 m/z (77) 1.4% 0.158% 3948 0.9 64 10218 428413 356015 3-12 17: 57 71 43 113 140 99 198 84 56 112 70 155 154 54 168 98 97 0.896 27.21 -0.5 93 97 88 95 198 8.0 1.571 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5375 1563.3 7.7 scans 81% 73 m/z 0.099% 2.02% 4345 1.0 249 150700 5448765 5098374 3-2 20: 73 281 147 327 282 415 341 283 221 148 417 503 74 328 399 416 329 149 504 505 0.890 29.61 -149.8 78 99 92 98 503 35.0 1.974 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1010 Pentadecane 30.3326 1593.2 7.7 scans 55% 57 m/z (153) 1.8% 0.117% 4480 1.1 56 8233 316792 275884 2-1 13: 57 71 85 43 41 141 70 55 126 86 212 83 140 0.859 30.38 -1.7 90 95 81 92 212 7.1 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4985 1600.0 8.0 scans 41% 191 m/z (126) 0.49% 0.185% 4508 1.1 70 30251 499715 439022 3-4 11: 191 206 192 107 88 57 60 157 115 143 74 0.723 30.50 375.2 74 98 73 98 206 19.6 7.830 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5263 1643.2 10.4 scans 72% 43 m/z (157) 0.56% 0.437% 4683 1.5 94 26344 1178978 1126143 2-3 19: 43 151 111 127 166 83 55 82 126 68 67 123 81 169 124 41 122 98 65 0.876 31.52 0.5 92 95 82 94 166 22.0 5.447 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0977 1667.2 6.6 scans 64% 221 m/z 0.64% 0.216% 4779 1.1 87 23108 583774 531824 2-2 19: 221 73 147 207 223 355 343 222 268 267 148 295 325 133 341 279 205 208 131 0.801 32.08 0.8 94 96 78 93 355 15.2 3.038 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1204 ?? Hydrocarbon 32.4min RI1681 32.4448 1681.8 12.2 scans 23% 85 m/z (119) 4.7% 0.0580% 4837 0.8 32 3188 156469 136280 3-2 16: 85 152 68 71 83 113 151 137 99 56 109 197 114 45 70 125 0.414 32.44 0.1 60 75 32 71 226 0.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9366 1702.5 7.6 scans 53% 71 m/z (150) 0.86% 0.101% 4921 0.9 55 17334 273279 254302 8-5 9: 71 43 159 173 72 243 143 155 89 0.856 32.93 0.2 86 92 80 94 243 8.5 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1012 Hexadecane 33.3079 1718.1 8.0 scans 59% TIC 0.90% 0.178% 4984 0.8 76 16575 481027 444141 3-2 0.746 33.37 -2.7 91 94 71 90 226 10.0 0.000 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1026 ? p-Octylacetophenone 33.8298 1727.3 7.3 scans 49% 217 m/z 0.55% 0.154% 5072 1.0 69 26912 416132 393942 2-4 15: 217 232 218 115 87 108 64 129 143 153 142 117 187 80 170 0.594 33.83 452.6 70 95 52 95 232 30.7 19.678 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3876 1735.3 7.2 scans 77% 73 m/z 0.35% 0.478% 5167 1.0 125 42310 1290383 1203249 2-2 20: 73 355 147 221 356 401 357 283 281 74 222 267 149 358 148 341 223 402 327 207 0.870 34.39 452.3 76 96 84 95 415 14.0 1.240 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9053 1742.7 9.3 scans 25% 97 m/z (71) 11% 0.0258% 5254 1.1 25 1254 69714 69190 0-2 8: 97 70 135 224 57 68 83 111 0.430 34.90 0.0 71 82 26 83 224 5.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN TAB_REP1-N1212 ? Hexadecene 35.9243 1757.3 7.2 scans 45% 71 m/z (121) 5.8% 0.0636% 5427 1.7 42 2559 171538 150180 2-6 16: 71 97 54 41 56 70 67 112 84 85 145 77 148 65 82 135 0.679 33.09 48.6 78 94 70 91 224 0.0 0.000 2.839 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1014 ? Heptadecane 36.1368 1760.3 8.0 scans 69% 57 m/z (135) 0.98% 0.237% 5463 1.0 80 15179 640243 574459 6-1 18: 57 71 85 43 155 41 55 112 169 113 83 98 56 68 168 127 140 69 0.874 36.21 -90.6 70 91 85 90 240 9.5 1.411 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5559 1766.3 6.7 scans 56% 221 m/z 1.3% 0.126% 5535 0.9 67 11437 340990 328887 3-2 19: 221 73 147 207 223 295 222 265 282 283 296 133 148 281 74 342 327 370 325 0.815 36.58 449.8 72 94 77 92 369 10.2 2.352 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1929 1775.4 8.7 scans 23% 209 m/z (149) 4.5% 0.0183% 5641 1.4 23 3288 0.0190% 49365 49365 51234 0-0 10: 209 166 178 210 224 193 115 225 103 167 0.481 37.20 449.1 64 93 42 90 224 10.7 21.758 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN HCMIX_~1-N1016 Octadecane 38.8245 1798.8 8.0 scans 71% 57 m/z (138) 1.0% 0.223% 5919 1.1 79 14158 602222 543088 3-3 20: 57 71 85 43 41 55 56 141 140 211 99 113 70 127 58 254 98 168 86 97 0.861 38.91 -1.2 89 93 83 90 254 8.7 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3039 1972.8 8.3 scans 60% TIC 0.41% 0.149% 6169 1.1 68 36570 403707 371187 4-1 0.757 40.31 597.9 77 98 74 97 223 15.6 5.222 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.6050 2010.1 6.7 scans 53% 221 m/z (57) 2.5% 0.0579% 6220 0.9 44 5892 156229 142475 2-2 19: 221 73 282 207 222 147 281 148 296 208 295 297 149 131 415 369 74 341 355 0.714 44.32 562.8 71 97 68 95 369 7.7 3.041 -3.715 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLANKB1-N1012 Contamination 41.49min 41.4692 2117.3 9.7 scans 95% TIC 0.036% 19.1% 6366 0.4 687 409110 51618263 48126411 3-2 0.989 41.49 -79.3 86 100 98 100 276 43.9 0.408 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BMN_RE~1-N1028 ?? Diterpene 42.0min 42.0100 2148.6 9.0 scans 43% 239 m/z (137) 2.2% 0.0710% 6456 0.3 51 6642 0.109% 191560 184123 293924 1-0 14: 239 59 171 157 144 185 129 217 213 236 271 130 241 161 0.721 42.01 746.6 61 90 72 89 272 0.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3518 2167.8 7.5 scans 55% 73 m/z 1.1% 0.113% 6516 0.9 60 12669 305622 287692 2-3 19: 73 147 281 355 148 221 342 429 207 503 222 356 430 504 325 341 282 59 295 0.719 42.37 758.8 70 92 66 90 503 10.2 2.958 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.7934 2363.6 7.4 scans 55% 73 m/z 1.5% 0.0858% 7099 0.9 52 9505 231469 213957 2-2 20: 73 221 355 147 281 325 357 356 429 205 149 401 191 358 295 222 74 282 430 148 0.672 45.78 1.0 79 81 58 78 503 4.6 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9340 2544.4 7.4 scans 55% 73 m/z 1.6% 0.0790% 7630 0.9 49 8840 213247 195412 3-7 18: 73 355 221 430 429 148 149 295 74 265 282 325 222 267 283 117 327 279 0.673 48.95 994.0 73 96 64 92 429 14.6 8.749 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BlkEnd_6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6247 2871.8 9.0 scans 43% 221 m/z 2.2% 0.0747% 8593 1.1 45 6530 0.0850% 201664 185241 229206 3-0 12: 221 504 295 430 356 503 131 297 75 149 74 145 0.627 45.81 1395.3 67 92 57 88 503 5.6 1.533 8.813 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1486 772.3 14.3 scans 48% 77 m/z (57) 0.75% 0.162% 44 5.4 53 24181 476154 429252 6-2 13: 77 45 78 62 92 76 127 79 59 73 63 47 38 0.915 4.37 18.3 97 100 93 99 77 46.6 76.033 -0.222 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1016 ?? Pivalic acid 6.1014 823.1 8.3 scans 41% 57 m/z (42) 2.9% 0.0412% 375 1.5 31 6094 120819 99691 2-3 6: 57 41 58 102 38 87 0.828 6.03 -138.5 68 97 81 95 102 3.7 0.000 0.068 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1014 Contamination 6.52min 6.5772 835.5 8.9 scans 80% 207 m/z 0.14% 0.934% 456 2.7 141 123901 2735754 2288392 2-5 20: 207 97 208 209 96 133 191 177 210 193 192 147 115 132 163 103 161 119 81 89 0.886 6.53 -141.3 80 100 90 99 207 105.4 55.605 0.049 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1042 Nonane 9.1770 903.2 7.5 scans 17% 57 m/z (133) 9.7% 0.0160% 896 1.0 24 1865 46926 46926 0-0 5: 57 85 56 84 128 0.688 9.06 3.2 80 94 67 90 128 4.4 0.000 0.120 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKSTART-N1002 Contamination 12.22min 12.2202 982.4 7.3 scans 89% 281 m/z (111) 0.048% 2.81% 1412 1.4 285 380266 8249257 7277272 2-5 20: 281 282 283 133 193 265 191 249 73 207 284 251 125 266 177 205 179 267 194 192 0.953 12.22 36.1 94 99 97 100 281 184.6 41.936 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKSTART-N1004 Contamination 12.42min 12.4185 987.6 7.5 scans 56% 57 m/z 0.26% 0.374% 1445 1.3 110 69349 1095809 991920 2-6 11: 57 56 41 99 71 85 55 58 113 53 194 0.897 12.42 37.9 90 91 97 100 281 6.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1040 Decane 12.8123 997.8 8.0 scans 52% 57 m/z 3.4% 0.0488% 1512 1.6 39 5347 142987 120563 6-2 11: 57 43 71 85 56 41 70 42 142 72 58 0.736 12.90 -2.2 91 94 68 91 142 7.1 3.409 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1022 ? Octanal 12.9652 1001.9 9.3 scans 66% 43 m/z (103) 5.6% 0.116% 1537 1.5 53 3249 339851 301377 1-3 18: 43 84 41 66 68 57 55 39 42 100 69 44 110 82 85 58 71 70 0.890 12.96 -172.9 75 98 88 98 110 6.0 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1024 ? p-Cymene 13.7356 1022.7 9.8 scans 43% TIC 2.1% 0.0308% 1668 1.0 36 8314 90290 90290 0-0 0.763 13.76 -176.8 75 97 73 96 134 13.3 13.942 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1016 Limonene 13.9050 1027.3 8.9 scans 34% 68 m/z (57) 2.7% 0.102% 1697 2.0 50 6568 300722 273195 2-0 14: 68 93 94 79 39 121 80 66 65 77 54 108 105 140 0.699 13.89 52.0 83 97 69 95 136 10.4 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4882 1043.1 15.7 scans 61% 91 m/z 1.0% 0.177% 1796 2.0 52 17321 519631 470627 4-1 11: 91 120 65 90 63 61 64 125 50 89 52 0.815 14.44 58.3 89 99 80 98 120 18.0 12.130 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN 98-86-2 ?? Acetophenone 15.3342 1066.1 20.8 scans 42% 105 m/z (62) 4.0% 0.0732% 1939 1.6 30 4506 214235 189358 3-0 7: 105 77 74 120 78 121 50 0.827 15.29 -179.6 69 96 77 95 120 10.1 11.251 0.041 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1016 Nonanal 16.7953 1108.8 9.1 scans 89% 57 m/z 0.33% 1.51% 2187 1.7 197 54448 4418824 4030939 2-3 20: 57 41 43 56 55 44 98 70 82 68 69 95 81 96 71 67 39 42 54 45 0.954 16.82 86.4 82 100 96 99 124 13.4 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1006 Contamination 18.13min 18.0645 1162.4 8.1 scans 92% 73 m/z 0.022% 9.20% 2402 1.5 512 820545 26925986 25050378 2-4 20: 73 267 355 356 268 357 269 74 251 193 75 339 59 191 358 45 154 323 179 207 0.970 18.13 -169.3 80 100 96 100 355 196.6 14.756 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2439 1170.0 10.8 scans 3.5% 281 m/z (60) 4.1% 0.0135% 2432 1.0 23 4404 0.0247% 39638 39638 72277 0-0 19: 281 207 125 265 282 191 283 108 74 70 40 44 193 284 267 116 47 209 141 0.401 12.25 16.9 73 87 49 85 281 19.9 74.084 5.993 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2711 1171.1 11.9 scans 50% TIC 1.0% 0.391% 2437 0.5 96 16784 1147048 844822 1-9 0.781 22.03 -138.0 68 98 79 96 175 0.0 0.000 -3.763 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1004 ? Octanoic acid 18.2717 1171.2 11.5 scans 63% 60 m/z (281) 1.0% 0.673% 2437 0.5 108 17069 1969828 1449839 2-9 20: 60 69 85 55 73 41 101 115 97 87 88 57 43 108 39 42 83 59 98 45 0.928 19.87 102.9 73 96 88 98 144 0.0 0.000 -1.599 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1012 ?? Nicotine 18.3030 1172.5 >5 scans 1.3% 281 m/z (60) 14% 0.00619% 2440 999.0 12 1221 0.0177% 18116 12068 51794 0-8 8: 281 355 68 99 108 75 193 39 0.101 25.78 17.2 63 71 17 100 162 0.0 0.000 -7.475 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8691 1196.4 9.6 scans 48% 70 m/z (105) 6.5% 0.0739% 2538 0.9 44 2792 216312 206076 0-4 7: 70 83 39 94 93 122 42 0.708 18.83 143.7 67 99 78 97 122 5.4 0.000 0.039 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 20.0196 1245.0 17.1 scans 44% 57 m/z 1.7% 0.183% 2733 1.2 52 10695 537923 485570 1-3 15: 57 45 62 132 120 101 59 58 100 83 92 77 102 75 121 0.604 19.81 177.5 67 98 69 94 144 0.0 0.000 0.206 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1004 Dodecane 20.3148 1257.5 8.4 scans 72% 57 m/z (53) 1.2% 0.195% 2783 1.1 74 14465 571536 525911 2-4 19: 57 43 71 85 41 56 70 55 84 98 72 99 86 42 69 127 54 170 112 0.939 20.32 -0.2 93 96 92 95 170 8.3 1.238 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5037 1263.2 14.6 scans 92% 110 m/z 3.9% 0.130% 2815 11.1 63 4587 0.196% 381470 342382 573538 0-3 3: 110 95 93 0.854 16.82 -28.2 69 74 79 73 124 0.0 0.000 3.689 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5403 1264.3 8.6 scans 66% 57 m/z 2.3% 0.213% 2821 1.1 80 7853 625244 553603 3-3 19: 57 112 41 83 55 70 68 82 44 43 71 69 56 96 67 81 109 42 54 0.885 20.56 185.6 77 99 88 98 128 7.4 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1034 ? Decanal 20.5403 1264.3 8.6 scans 73% 57 m/z (110) 2.2% 0.273% 2821 1.1 84 8074 800898 709130 3-3 19: 57 112 41 83 55 70 68 82 44 43 71 69 56 96 67 81 109 42 54 0.952 20.57 -142.7 75 99 95 98 138 4.2 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1036 ?? trans-2,8-p-Mentha-dien-1-ol 21.1413 1282.3 8.5 scans 23% 79 m/z (67) 5.2% 0.0259% 2923 1.0 27 3499 76012 70862 0-4 8: 79 117 91 152 109 137 93 134 0.546 21.15 -143.4 62 92 51 88 152 5.8 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4907 1292.8 6.7 scans 80% 147 m/z 0.50% 0.370% 2982 1.0 118 36111 1084667 1037308 2-1 20: 147 281 73 282 369 283 74 207 249 265 149 148 191 75 179 45 284 117 267 59 0.901 21.56 -145.9 79 100 92 99 369 25.1 4.493 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1040 ? Nonanoic acid 22.7062 1329.3 >21 scans 45% 55 m/z 2.0% 0.159% 3188 1.0 54 9006 465966 448787 0-3 12: 55 101 130 61 98 43 116 73 74 70 54 53 0.601 22.70 -146.0 74 98 58 95 158 4.4 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1016 ?? Nicotine 22.7062 1329.3 >21 scans 67% 55 m/z (138 87) 1.9% 0.282% 3188 1.0 66 9292 827604 797092 0-3 12: 55 101 130 61 98 43 116 73 74 70 54 53 0.855 25.35 180.1 69 96 81 95 162 0.0 0.000 -2.648 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1006 Tridecane 23.8397 1363.3 8.0 scans 45% 57 m/z 2.1% 0.0834% 3380 1.0 54 8553 244164 222093 2-4 18: 57 43 71 85 41 127 112 55 56 84 70 42 69 99 141 98 58 184 0.687 23.86 -0.7 88 92 65 88 184 6.9 1.684 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1002 Contamination 24.17min 24.0876 1371.5 9.0 scans 92% 73 m/z 0.018% 12.0% 3422 1.3 572 1007147 35273500 33443321 2-3 20: 73 341 429 342 147 325 343 430 431 74 207 327 75 344 59 45 148 251 191 193 0.963 24.17 -152.3 80 100 96 100 429 151.6 7.030 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0528 1437.2 10.0 scans 25% 145 m/z (80) 4.4% 0.0362% 3755 1.3 28 4072 106004 95172 2-3 6: 145 160 146 117 116 76 0.652 27.08 -185.6 64 92 57 91 160 13.1 21.262 -1.024 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1237 1473.0 6.4 scans 83% 73 m/z 0.19% 0.886% 3936 1.0 184 92899 2593639 2416955 2-2 20: 73 221 147 281 222 267 148 355 223 74 282 207 59 149 356 75 443 133 268 191 0.933 27.12 298.1 79 99 93 98 355 29.6 2.575 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1008 Tetradecane 27.1691 1474.5 7.7 scans 68% 57 m/z (112) 0.81% 0.297% 3944 0.9 95 22538 869980 798730 2-3 18: 57 43 71 85 41 55 56 70 140 86 99 84 69 42 98 141 39 198 0.872 27.21 -1.3 91 96 87 94 198 9.4 0.982 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1034 ? Contamination 29.52min 29.5269 1562.9 8.4 scans 84% 73 m/z (134) 0.037% 6.79% 4343 1.2 438 489515 19887911 18472284 2-3 20: 73 281 147 327 282 341 415 283 74 503 148 221 328 399 329 207 416 504 325 75 0.975 29.52 352.8 75 97 94 96 503 63.6 2.109 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1010 Contamination 29.61min 29.5275 1563.0 8.5 scans 92% TIC 0.032% 7.23% 4343 1.2 457 569689 21158724 19555578 2-3 0.972 29.61 -150.1 80 99 97 99 503 63.0 1.899 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1010 Pentadecane 30.3268 1593.0 7.7 scans 64% 57 m/z (158) 1.7% 0.141% 4479 1.0 66 10625 414037 386480 1-4 18: 57 43 71 85 99 41 55 42 69 113 155 56 212 70 58 97 86 127 0.893 30.38 -1.9 89 93 85 91 212 7.3 1.235 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN N406_R~1-N1100 ?? Dihydroactinidiolide 31.2040 1629.7 10.5 scans 25% TIC 4.0% 0.0344% 4627 1.2 32 4471 100809 97695 3-0 0.425 31.18 394.7 64 88 42 91 180 9.7 9.124 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1200 Contamination 32.08min 32.0972 1667.2 7.0 scans 89% 73 m/z 0.11% 1.72% 4779 1.1 248 155987 5054532 4761116 2-2 20: 73 221 147 207 222 295 341 223 355 148 325 74 281 267 75 208 149 117 342 356 0.951 32.08 0.8 97 97 92 98 355 36.2 2.128 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9396 1702.6 7.7 scans 67% 71 m/z 0.34% 0.292% 4921 1.2 99 52301 854757 776442 9-3 16: 71 43 159 41 178 73 55 69 243 83 111 95 160 70 97 127 0.905 32.93 0.3 89 89 81 95 243 12.3 1.527 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1012 Hexadecane 33.3097 1718.1 7.4 scans 71% 57 m/z (105) 1.1% 0.199% 4984 1.0 79 15458 582963 523360 10-2 20: 57 71 43 85 41 70 56 55 69 97 42 155 72 226 141 98 58 84 111 39 0.886 33.37 -2.7 88 92 84 89 226 7.6 0.000 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3901 1735.3 8.1 scans 90% 73 m/z 0.066% 3.07% 5167 1.2 307 272762 8986336 8286792 2-3 20: 73 355 147 221 281 356 401 74 282 148 207 402 267 357 415 283 75 403 223 45 0.956 34.39 452.3 79 98 93 98 415 30.4 0.980 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1212 ? Hexadecene 34.8924 1742.5 8.6 scans 24% 97 m/z (155) 9.7% 0.0288% 5252 2.7 26 1870 84564 75760 2-4 7: 97 55 56 224 112 71 67 0.377 33.09 33.8 79 93 41 87 224 4.3 0.000 1.807 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN GLAU_R~1-N1084 ?? Pentadecane 36.1422 1760.4 8.5 scans 50% TIC 2.0% 0.0715% 5464 0.9 49 8706 209250 209250 0-0 0.686 24.54 623.1 62 91 64 87 169 4.2 0.000 11.600 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5796 1766.7 7.1 scans 79% 73 m/z 0.31% 0.627% 5538 1.0 148 57587 1836522 1654423 2-4 19: 73 221 147 207 295 222 281 223 148 369 296 131 370 327 208 355 149 75 209 0.882 36.58 450.2 79 100 88 98 369 20.5 1.933 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2036 1775.6 8.6 scans 21% TIC 3.5% 0.0167% 5644 0.9 25 5086 48946 47179 4-1 0.359 37.20 449.3 66 94 33 90 224 12.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6156 1795.8 8.0 scans 75% 73 m/z 0.31% 0.510% 5883 1.0 125 58368 1493736 1351019 3-4 20: 73 147 221 429 341 281 430 356 74 431 357 148 207 355 401 208 267 327 283 459 0.836 38.59 447.7 75 96 78 94 429 32.9 6.933 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN HCMIX_~1-N1016 ?? Octadecane 38.8459 1799.1 8.4 scans 46% 41 m/z (126) 4.3% 0.0514% 5922 0.8 37 4175 150657 147274 0-4 13: 41 56 42 155 113 43 70 55 69 85 99 141 140 0.692 38.91 -0.9 61 66 62 63 254 2.1 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3376 1977.0 11.0 scans 63% TIC 0.72% 0.139% 6175 1.0 60 25328 408624 379467 5-0 0.786 40.31 602.1 77 98 80 97 223 12.3 4.205 0.033 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6346 2013.8 7.2 scans 56% 73 m/z 2.1% 0.0763% 6225 1.0 52 8331 223283 201246 3-6 18: 73 221 283 281 369 295 267 207 223 222 297 355 296 74 356 205 133 208 0.726 40.63 633.7 72 95 70 92 369 9.1 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4327 2112.8 8.1 scans 43% 205 m/z 2.0% 0.193% 6360 1.2 74 8803 566231 500263 3-6 18: 205 57 203 175 189 91 55 147 41 261 191 123 67 133 232 192 217 178 0.488 41.49 -83.8 78 97 48 94 276 6.3 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3760 2169.1 7.4 scans 52% 73 m/z 1.2% 0.0944% 6520 1.1 56 14617 276326 261544 2-4 19: 73 283 222 221 282 147 355 429 223 148 75 207 327 281 415 341 461 356 503 0.635 42.37 760.1 69 93 61 89 503 9.9 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3265 2279.2 6.8 scans 40% 281 m/z (74) 8.7% 0.0158% 6850 1.0 24 2093 0.0160% 46403 43634 46819 1-0 6: 281 221 147 295 369 282 0.583 44.32 831.9 61 91 54 87 369 5.8 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.8171 2364.9 7.4 scans 46% 221 m/z 2.6% 0.0400% 7103 1.0 36 6828 117335 106565 2-5 18: 221 355 147 73 265 401 429 357 341 282 74 283 415 223 430 503 75 205 0.589 45.78 2.3 73 79 46 75 503 4.7 0.000 0.041 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9535 2545.5 7.7 scans 42% TIC 3.6% 0.0318% 7634 1.2 33 5009 93262 81735 4-3 0.544 48.95 995.1 69 92 50 89 429 11.2 11.741 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1168 771.4 23.5 scans 23% 77 m/z (91) 2.0% 0.0567% 39 2.8 30 8630 189240 172656 10-0 5: 77 86 63 62 76 0.620 4.37 17.4 84 97 84 96 77 28.4 86.886 -0.254 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1016 ? Pivalic acid 6.1593 824.6 9.7 scans 68% 57 m/z 0.87% 0.118% 385 0.4 58 20502 0.124% 395120 323114 413720 2-7 14: 57 41 39 45 87 102 56 59 58 42 37 38 69 51 0.812 6.03 -137.0 77 99 82 98 102 7.4 0.000 0.126 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5808 835.6 10.9 scans 77% TIC 0.40% 0.226% 456 1.9 84 43945 755097 696414 1-1 0.878 6.53 -141.2 79 99 86 99 207 64.0 58.583 0.053 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKSTART-N1002 Contamination 12.22min 13.0797 1005.0 6.9 scans 78% 281 m/z 0.14% 0.719% 1557 1.7 161 127663 2399796 2158739 1-4 20: 281 282 283 134 265 193 133 191 249 126 207 73 284 125 267 266 177 205 103 285 0.881 12.22 58.7 90 100 94 100 281 109.1 45.849 0.860 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1022 ? Octanal 13.7149 1022.2 7.5 scans 28% 57 m/z 5.0% 0.0394% 1665 1.6 38 3519 131531 126814 0-5 15: 57 84 41 56 68 55 69 42 67 110 39 81 85 100 82 0.487 12.96 -152.6 70 94 44 91 110 5.6 0.000 0.760 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1024 ? p-Cymene 14.4151 1041.2 >20 scans 45% TIC 1.4% 0.0827% 1783 1.3 46 12538 276142 252971 4-1 0.694 13.76 -158.3 76 98 75 97 134 17.9 15.416 0.658 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN GLAU_R~1-N1074 ?? Benzeneethanol 15.0674 1058.8 12.1 scans 21% 91 m/z 5.9% 0.00630% 1894 3.4 20 2998 0.0143% 21045 21045 47711 0-0 9: 91 92 89 120 65 43 63 121 122 0.503 17.05 32.8 63 90 62 88 122 4.8 0.000 -1.985 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 15.0674 1058.8 12.1 scans 34% 91 m/z (59) 5.8% 0.0145% 1894 3.4 25 3052 0.0331% 48461 48461 110437 0-0 9: 91 92 89 120 65 43 63 121 122 0.745 14.44 74.0 70 92 66 95 120 8.3 10.689 0.625 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.7221 1076.6 12.8 scans 94% TIC 0.030% 7.41% 2005 1.8 396 591434 24749431 22941020 2-2 0.988 15.17 79.2 86 100 99 100 123 137.8 12.107 0.552 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN GLAU_R~1-N1064 ? Benzoic acid 15.8691 1080.5 >4 scans 26% 121 m/z (38) 1.0% 0.0446% 2030 5.6 59 17141 0.0915% 149117 149117 305285 0-0 5: 121 124 66 92 64 0.767 20.03 9.8 74 77 74 78 122 11.7 3.850 -4.160 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1028 ?? p-Cymenene 16.6607 1103.1 9.6 scans 41% 117 m/z (77) 7.6% 0.0223% 2164 1.0 27 2331 74617 72408 2-0 7: 117 115 81 91 131 133 63 0.760 16.25 -171.5 68 94 73 93 132 14.6 29.279 0.407 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1002 Undecane 17.0025 1117.6 7.7 scans 87% 57 m/z (267) 0.21% 0.943% 2222 1.1 185 84799 3148950 2981309 1-4 20: 57 43 71 85 41 56 70 55 84 156 42 99 98 69 39 127 112 113 72 53 0.971 16.59 17.6 97 99 97 99 156 25.8 1.944 0.415 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1004 Blank_Nonanal 17.1654 1124.4 8.2 scans 91% TIC 0.23% 1.70% 2249 1.4 242 76960 5695568 5208822 2-4 0.970 16.82 -167.0 80 100 97 99 124 16.6 0.469 0.350 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1016 ? Nonanal 17.1654 1124.4 8.2 scans 91% 57 m/z (80) 0.23% 1.78% 2249 1.3 243 74702 5959323 5437463 2-5 20: 57 41 56 43 55 98 70 82 69 44 68 95 81 96 67 39 42 71 54 83 0.992 16.82 102.0 78 99 99 99 124 13.5 0.308 0.350 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1006 Contamination 18.13min 18.3372 1173.9 7.5 scans 88% 73 m/z 0.053% 3.16% 2448 1.3 343 333739 10571389 9728304 2-4 20: 73 267 355 356 268 269 74 251 357 193 155 191 249 75 358 59 45 179 323 223 0.932 18.13 -157.8 80 100 93 99 355 137.4 16.031 0.206 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1018 Contamination 12.25min 18.4742 1179.7 7.9 scans 39% 281 m/z (115) 2.0% 0.0403% 2471 1.7 36 8557 134663 119675 0-2 17: 281 250 193 265 194 251 191 266 209 249 284 282 283 207 75 177 119 0.692 12.25 26.6 87 94 56 93 281 28.3 60.311 6.223 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0993 1206.1 9.1 scans 68% 70 m/z 2.2% 0.205% 2577 1.4 82 8042 686118 618857 2-3 19: 70 55 83 41 43 69 84 39 67 56 81 98 96 97 107 53 79 72 112 0.819 18.83 153.4 70 93 82 98 122 9.0 0.000 0.269 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1012 ?? Nicotine 19.8254 1236.8 10.9 scans 9.3% 105 m/z 9.5% 0.00569% 2700 1.5 13 1877 18996 18433 0-4 5: 105 91 133 90 79 0.307 25.78 81.5 62 100 100 100 162 0.0 0.000 -5.953 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 20.0539 1246.5 12.7 scans 78% TIC 0.51% 0.564% 2739 2.4 116 35051 1884178 1734650 2-2 0.908 19.81 179.0 75 97 90 99 144 0.0 0.000 0.240 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1004 Dodecane 20.4925 1262.9 7.9 scans 44% 57 m/z (151) 3.8% 0.0389% 2813 1.6 38 4612 129937 127875 1-0 11: 57 71 43 56 98 41 42 113 95 170 127 0.747 20.32 5.2 87 95 76 92 170 5.7 0.000 0.173 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1034 ? Decanal 20.7068 1269.3 8.2 scans 37% 57 m/z 2.0% 0.116% 2849 0.9 64 8695 387470 339793 2-5 15: 57 70 41 55 71 82 56 44 96 112 83 42 84 80 45 0.571 20.57 -137.7 70 93 53 90 138 4.5 0.000 0.138 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.7068 1269.3 8.2 scans 70% 57 m/z (110) 2.0% 0.250% 2849 0.9 88 8621 836872 733898 2-5 15: 57 70 41 55 71 82 56 44 96 112 83 42 84 80 45 0.955 20.56 190.6 77 99 98 99 128 8.1 0.850 0.144 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BMN_RE~1-N1006 ?? Arosol 21.1549 1282.8 12.1 scans 27% 138 m/z (65) 4.7% 0.0304% 2925 1.3 26 3764 101727 92291 1-2 9: 138 94 66 95 144 38 140 51 78 0.707 20.98 197.8 68 97 71 96 152 0.0 0.000 0.172 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1038 ? Contamination 21.56min 21.5976 1296.0 6.8 scans 65% 147 m/z 0.57% 0.253% 3000 0.9 106 31344 845416 824314 1-2 20: 147 281 73 282 369 148 283 149 265 207 249 191 371 251 74 250 117 131 150 209 0.822 21.56 -142.7 78 99 82 99 369 25.4 5.752 0.040 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1040 ? Nonanoic acid 22.9141 1335.6 16.7 scans 79% 60 m/z (85) 0.29% 1.89% 3223 0.2 188 61773 6307534 5725332 1-6 20: 60 73 57 129 115 41 55 87 43 98 61 69 101 45 70 42 74 39 96 158 0.976 22.70 -139.7 74 94 94 99 158 12.5 0.440 0.218 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1016 ? Nicotine 22.9141 1335.6 16.7 scans 73% 60 m/z 0.29% 1.49% 3223 0.2 181 61766 4986359 4526105 1-6 20: 60 73 57 129 115 41 55 87 43 98 61 69 101 45 70 42 74 39 96 158 0.912 25.35 186.4 76 98 90 98 162 0.0 0.000 -2.440 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1006 ? Tridecane 23.9282 1366.2 9.4 scans 27% 57 m/z (125) 5.7% 0.0313% 3395 0.8 31 3122 104726 93702 1-1 9: 57 42 83 162 71 44 55 56 39 0.490 23.86 2.2 78 89 53 84 184 3.4 0.000 0.066 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1002 Contamination 24.17min 24.1532 1373.7 8.3 scans 90% 73 m/z 0.033% 5.56% 3433 1.2 442 530034 18578996 17611318 2-3 20: 73 341 429 342 147 325 343 430 431 74 326 327 344 75 148 45 59 191 267 193 0.958 24.17 -150.1 80 99 95 99 429 120.1 7.380 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2559 1410.6 7.6 scans 50% 43 m/z 0.92% 0.0796% 3620 1.2 55 19465 265758 236367 6-4 7: 43 103 145 115 60 146 74 0.929 25.24 -149.3 78 98 90 98 145 20.7 13.904 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1046 ? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0841 1438.2 9.1 scans 25% 145 m/z 2.3% 0.0501% 3760 1.1 40 7560 167194 145900 6-4 12: 145 160 115 102 146 118 63 117 91 62 89 161 0.754 27.08 -184.6 70 92 58 91 160 18.7 21.422 -0.993 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1343 1473.3 6.6 scans 86% 73 m/z 0.21% 0.820% 3938 1.0 192 82738 2737527 2622131 2-1 20: 73 221 147 281 222 355 223 148 282 267 74 268 149 283 443 356 357 207 191 75 0.932 27.12 298.4 79 99 92 98 355 32.7 2.910 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1008 Tetradecane 27.2069 1475.7 7.5 scans 59% 57 m/z (79) 1.7% 0.110% 3950 0.9 64 10069 369166 331793 3-2 17: 57 71 85 41 198 69 70 56 42 126 112 55 39 97 84 54 83 0.882 27.21 -0.1 90 95 85 92 198 7.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1010 Contamination 29.61min 29.5305 1563.1 8.1 scans 88% 73 m/z 0.045% 4.71% 4344 1.2 415 392513 15717973 14688757 3-2 20: 73 281 147 327 282 341 283 221 503 148 328 74 399 329 416 417 149 75 45 59 0.966 29.61 -150.0 80 99 97 99 503 58.4 1.986 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1034 ? Contamination 29.52min 29.5305 1563.1 8.1 scans 87% 73 m/z (386) 0.046% 4.80% 4344 1.2 412 388894 16030896 14981190 3-2 20: 73 281 147 327 282 341 283 221 503 148 328 74 399 329 416 417 149 75 45 59 0.977 29.52 353.0 78 99 97 99 503 58.3 2.007 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1010 Pentadecane 30.3398 1593.5 7.6 scans 47% 57 m/z (105) 2.3% 0.0816% 4481 1.0 55 7706 272520 255999 1-3 18: 57 85 43 155 97 41 113 56 84 70 212 42 69 126 141 54 111 98 0.788 30.38 -1.4 89 95 76 91 212 7.4 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4963 1599.9 8.3 scans 69% 191 m/z 0.14% 0.620% 4508 1.2 150 121999 2071842 1905430 2-4 18: 191 192 206 57 163 74 175 91 41 115 88 207 148 117 51 73 77 121 0.826 30.50 375.1 79 99 84 99 206 42.1 7.864 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5370 1643.6 10.7 scans 69% 43 m/z 0.43% 0.478% 4684 1.3 114 40926 1597158 1415477 3-3 20: 43 98 111 41 82 83 127 107 95 125 67 81 69 59 123 112 142 151 84 167 0.826 31.52 0.9 93 94 75 92 166 26.9 5.586 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0860 1666.7 7.0 scans 87% 221 m/z 0.12% 1.35% 4777 1.0 240 138926 4528772 4306687 1-2 20: 221 73 147 222 207 295 341 223 355 148 74 281 325 296 267 208 149 191 356 297 0.948 32.08 0.3 97 97 92 98 355 37.5 2.444 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9408 1702.6 7.8 scans 73% 71 m/z 0.24% 0.344% 4922 0.9 117 71792 1150915 1063857 7-2 20: 71 43 159 56 111 243 41 173 160 72 155 143 55 83 69 156 89 98 70 57 0.905 32.93 0.3 91 92 82 96 243 17.4 2.213 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1012 Hexadecane 33.3086 1718.1 7.1 scans 65% 57 m/z (215) 1.1% 0.159% 4984 0.9 79 15033 532125 496005 2-3 17: 57 71 85 43 41 56 70 99 55 84 113 126 140 169 110 281 112 0.846 33.37 -2.7 90 95 83 92 226 8.2 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3783 1735.2 7.9 scans 90% 73 m/z 0.10% 1.83% 5165 1.1 264 163124 6133083 5786679 2-2 20: 73 355 147 221 281 356 401 357 222 74 282 267 148 283 207 415 223 75 358 149 0.956 34.39 452.2 79 99 94 98 415 27.3 1.074 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1212 ? Hexadecene 35.9403 1757.5 7.5 scans 43% 83 m/z (163) 6.9% 0.0506% 5429 0.8 44 2585 169103 160638 0-8 14: 83 97 43 69 41 71 56 187 67 85 139 81 191 96 0.719 33.09 48.8 74 95 80 92 224 0.0 0.000 2.855 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5477 1766.2 7.2 scans 86% TIC 0.15% 1.34% 5533 1.1 239 114825 4473930 4236377 4-1 0.940 36.58 449.7 79 100 95 99 369 33.7 1.998 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1018 ?? Contamination 48.95min 38.5962 1795.5 7.5 scans 78% 73 m/z (145) 0.34% 0.472% 5880 1.0 134 52632 1576074 1461787 2-3 20: 73 147 221 429 355 430 207 401 281 148 74 356 431 283 357 282 223 295 325 327 0.908 48.95 245.1 69 92 89 95 429 32.8 6.023 -10.353 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5962 1795.5 7.5 scans 75% 73 m/z 0.34% 0.438% 5880 1.0 131 51649 1462591 1356534 2-3 20: 73 147 221 429 355 430 207 401 281 148 74 356 431 283 357 282 223 295 325 327 0.853 38.59 447.4 75 96 81 95 429 35.4 7.281 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN HCMIX_~1-N1016 Octadecane 38.8288 1798.8 7.6 scans 61% 57 m/z (81) 1.9% 0.100% 5919 0.8 61 9260 335051 317642 4-1 17: 57 71 85 43 84 41 98 169 99 197 70 155 126 58 67 154 54 0.794 38.91 -1.2 88 94 75 90 254 6.6 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3070 1973.2 7.9 scans 89% TIC 0.10% 0.804% 6169 1.1 166 167265 2684503 2356670 3-7 0.957 40.31 598.3 79 99 95 99 223 33.5 4.075 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5986 2009.4 6.7 scans 77% 221 m/z 0.36% 0.484% 6219 1.1 145 49266 1615342 1508021 2-3 20: 221 73 147 207 281 295 222 208 223 369 296 282 191 279 297 370 205 148 131 267 0.845 40.63 629.3 75 98 85 99 369 22.3 2.352 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BQLD_R~1-N1056 ?? Homosalate 40.9941 2058.4 8.6 scans 23% 138 m/z 5.0% 0.0293% 6286 0.9 31 3555 0.0298% 97863 85402 99426 6-1 10: 138 120 109 139 65 121 124 93 262 63 0.475 41.00 672.6 68 94 42 91 262 6.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLANKB1-N1012 Contamination 41.49min 41.4227 2111.5 8.0 scans 68% TIC 0.72% 0.630% 6358 1.0 152 24609 2104951 1911837 2-6 0.758 41.49 -85.1 82 99 74 97 276 10.5 0.481 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3471 2167.5 7.4 scans 59% 73 m/z 1.0% 0.117% 6515 1.1 69 16787 392105 359852 2-5 20: 73 147 281 221 357 222 429 355 341 148 356 75 503 430 74 504 415 325 265 223 0.700 42.37 758.5 73 95 68 92 503 11.1 2.593 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BlkStart_6.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.7935 2363.6 7.3 scans 39% 73 m/z 2.6% 0.0341% 7099 1.0 37 6772 114040 108477 4-1 19: 73 221 356 415 267 355 222 205 357 281 295 149 503 327 341 75 283 131 223 0.492 45.78 1.0 77 81 40 77 503 4.3 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1326 771.8 4.8 scans 91% 77 m/z (74) 0.048% 0.166% 42 3.1 349 1286211 11837889 10336873 0-8 15: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 64 0.999 4.37 17.8 99 100 100 100 77 297.9 72.849 -0.238 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 6.1350 824.0 9.2 scans 49% 57 m/z (69) 1.1% 0.0238% 381 0.4 94 54393 1696812 1302606 2-9 12: 57 41 39 45 58 59 55 53 102 38 73 86 0.769 6.03 -137.6 62 91 83 91 102 8.6 0.000 0.102 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5093 833.7 16.7 scans 76% 207 m/z 0.54% 0.0471% 445 3.2 119 113466 3354802 3035376 2-2 20: 207 208 191 96 209 133 177 193 192 147 210 119 163 103 134 81 89 117 165 161 0.907 6.53 -143.1 80 100 90 100 207 88.5 55.650 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6250 862.8 8.4 scans 84% 41 m/z 1.1% 0.0653% 633 2.2 177 54535 4651627 4383270 1-3 20: 41 55 69 83 39 42 57 98 70 97 43 53 56 80 81 54 79 51 68 40 0.926 7.71 7.5 99 99 94 98 98 44.7 6.378 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2113 982.2 8.0 scans 60% 43 m/z (76) 0.69% 0.0546% 1410 1.5 165 89902 3893584 3408864 2-5 12: 43 99 71 41 193 55 177 39 142 284 42 195 0.840 12.22 35.9 86 90 39 100 281 72.9 19.462 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6535 993.7 9.5 scans 84% 81 m/z 0.19% 0.148% 1485 2.0 252 326369 10546261 9328279 2-3 20: 81 110 53 39 79 41 67 68 77 65 82 51 95 50 66 55 40 54 109 52 0.971 13.22 30.1 95 96 94 99 110 74.3 8.726 -0.569 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9126 1000.5 8.0 scans 49% 42 m/z (45) 5.8% 0.0137% 1529 1.8 82 10588 976968 897437 1-3 14: 42 57 56 84 44 41 43 55 69 85 82 68 95 83 0.839 12.96 -174.3 62 89 77 94 110 10.7 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1016 Limonene 13.8908 1027.0 8.6 scans 48% TIC 1.6% 0.0315% 1695 1.2 141 38918 2243452 2116934 1-1 0.624 13.89 51.7 81 96 78 95 136 25.6 3.274 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0750 1031.9 10.3 scans 87% 79 m/z 0.24% 0.198% 1726 1.6 288 257705 14155257 12910700 2-4 20: 79 108 107 77 51 91 78 50 90 89 80 65 63 39 52 109 53 105 74 62 0.989 14.11 52.9 93 100 99 100 108 127.7 19.628 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4416 1041.9 9.6 scans 91% TIC 0.034% 0.590% 1788 1.4 512 1827552 42011013 38541612 4-3 0.990 14.44 57.1 91 100 99 100 120 166.1 10.503 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1677 1061.5 >11 scans 85% 105 m/z 0.14% 0.185% 1911 0.9 295 440542 13182085 12374271 2-0 20: 105 77 123 46 51 106 50 124 78 74 75 76 79 52 85 73 53 49 47 39 0.983 15.17 64.1 89 100 99 100 123 106.3 12.947 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN 98-86-2 ? Acetophenone 15.2787 1064.6 9.4 scans 87% 105 m/z 0.024% 0.961% 1930 0.8 713 2552363 68419935 62355765 2-4 20: 105 77 120 51 106 50 78 43 74 121 76 75 39 63 91 65 52 62 38 89 0.996 15.29 -181.1 79 98 98 99 120 250.1 12.297 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4221 1068.4 8.9 scans 78% 95 m/z (93) 0.12% 0.296% 1954 1.5 373 500463 21106048 19684542 1-5 20: 95 81 124 43 79 53 109 39 41 65 82 96 66 55 67 80 63 125 54 52 0.898 15.43 66.7 85 97 95 100 124 106.0 8.090 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1012 ?? Nicotine 16.2238 1090.2 8.6 scans 2.3% 148 m/z 18% 0.000361% 2090 1.4 15 3378 25691 25691 0-0 2: 148 133 0.570 25.78 -65.1 63 100 100 100 162 0.0 0.000 -9.554 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1002 Undecane 16.5975 1100.4 8.4 scans 40% 57 m/z 2.6% 0.0124% 2153 1.2 90 23380 889292 815748 1-1 19: 57 71 43 41 85 56 55 111 69 70 67 113 156 127 269 84 98 95 42 0.637 16.59 0.4 82 95 81 93 156 11.1 1.528 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7716 1107.8 8.3 scans 79% 57 m/z (112) 0.53% 0.130% 2183 1.0 247 115771 9287542 8080794 4-4 16: 57 41 56 55 44 70 98 82 68 69 95 67 96 42 54 45 0.988 16.82 85.4 78 96 96 97 124 12.6 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9576 1115.7 8.9 scans 89% TIC 0.18% 0.204% 2214 1.1 338 336016 0.306% 14536244 13969451 21785036 1-0 0.976 16.97 91.0 81 98 96 100 128 79.6 5.558 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0426 1119.2 9.9 scans 72% 91 m/z 0.20% 0.113% 2228 1.5 223 299824 8072795 7246211 8-3 16: 91 92 122 65 93 63 51 89 77 78 123 104 50 64 75 102 0.968 17.05 93.2 81 100 97 99 122 76.2 11.662 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0644 1162.4 14.1 scans 62% TIC 0.40% 0.0681% 2402 2.0 189 152362 0.0703% 4853735 4539416 5004863 3-2 0.946 18.13 -169.3 80 99 93 99 355 74.7 15.616 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 18.6790 1188.4 >16 scans 54% 60 m/z 0.50% 0.146% 2506 0.3 232 123913 10429272 8212010 1-5 20: 60 69 85 55 73 41 97 57 101 87 88 43 115 45 39 42 83 108 56 70 0.857 22.03 -120.7 71 92 82 93 175 0.0 0.000 -3.355 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1004 ? Octanoic acid 18.6790 1188.4 >16 scans 63% 60 m/z (111) 0.50% 0.205% 2506 0.3 251 122451 14640886 11528236 1-5 20: 60 69 85 55 73 41 97 57 101 87 88 43 115 45 39 42 83 108 56 70 0.938 19.87 120.1 72 94 84 97 144 2.4 0.000 -1.192 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7014 1189.3 8.4 scans 37% 111 m/z (60) 2.0% 0.0281% 2510 0.8 123 29984 2002170 1910064 1-1 15: 111 125 107 95 126 100 80 110 122 135 81 96 92 72 152 0.903 18.71 138.5 66 91 77 92 153 6.5 0.274 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8248 1194.5 8.8 scans 40% 70 m/z 3.0% 0.0177% 2530 1.2 102 20598 1265768 1172661 1-3 19: 70 55 83 41 69 57 84 39 94 96 95 56 42 97 93 68 53 72 98 0.694 18.83 141.8 71 98 73 96 122 8.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1229 1207.1 9.1 scans 45% TIC 0.89% 0.0184% 2581 0.9 120 70077 0.0297% 1314177 1207546 2114430 2-0 0.710 19.12 150.0 75 98 89 100 97 20.4 2.911 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2463 1212.3 9.9 scans 17% 119 m/z (115) 3.8% 0.00591% 2602 1.0 53 16042 421112 396545 3-0 5: 119 91 134 135 120 0.827 13.76 12.8 75 79 64 80 134 19.9 14.037 5.489 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8083 1236.1 9.5 scans 73% 57 m/z 0.28% 0.119% 2697 1.5 244 217126 8533259 8143120 2-4 20: 57 45 41 75 87 56 89 72 100 59 101 85 60 58 73 44 55 132 62 61 0.936 19.81 168.6 78 98 93 99 144 4.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3100 1257.3 9.1 scans 36% 57 m/z (138) 3.6% 0.00923% 2782 1.4 68 17280 657691 613842 2-1 7: 57 85 71 170 56 84 98 0.916 20.32 -0.4 87 94 88 95 170 9.8 2.069 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1034 ? Decanal 20.5220 1263.8 8.1 scans 69% 57 m/z 0.84% 0.0788% 2818 0.9 214 73409 5612657 5086918 4-3 19: 57 41 55 82 70 71 68 44 83 67 56 81 69 112 96 42 84 54 39 0.900 20.57 -143.2 78 98 90 97 138 12.1 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5220 1263.8 8.1 scans 79% 57 m/z (85 72) 0.96% 0.0983% 2818 0.9 229 64739 7004470 6348359 4-3 19: 57 41 55 82 70 71 68 44 83 67 56 81 69 112 96 42 84 54 39 0.919 16.82 -27.6 67 73 82 76 124 4.0 0.000 3.707 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9606 1276.9 >7 scans 75% 79 m/z 0.12% 0.122% 2892 0.2 311 519552 0.333% 8712278 8129163 23707245 1-0 4: 79 129 59 98 0.992 20.98 191.9 78 97 95 99 152 7.9 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1701 1283.2 9.7 scans 9.7% 281 m/z 2.4% 0.00666% 2928 2.0 53 25432 474551 412336 2-4 11: 281 282 284 193 251 133 283 265 249 191 148 0.704 12.25 130.1 74 97 61 96 281 41.9 61.776 8.919 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1042 ? Phytol 21.2758 1286.4 8.2 scans 45% 56 m/z (135) 2.8% 0.0244% 2945 1.0 112 21942 1743573 1585402 6-2 5: 56 57 70 71 111 0.960 35.35 -11.0 77 81 86 83 196 0.0 0.000 -14.071 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1006 ? Tridecane 22.5019 1323.2 7.6 scans 49% 43 m/z 1.5% 0.0196% 3154 1.1 121 39212 1400136 1330187 1-1 20: 43 85 57 71 70 41 55 56 69 83 84 81 97 99 39 86 141 113 155 125 0.739 23.86 -40.8 70 82 78 80 184 0.0 0.000 -1.360 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9045 1335.3 8.7 scans 68% 43 m/z (79) 0.14% 0.309% 3222 1.0 375 434082 22001233 18948426 5-5 12: 43 69 109 86 71 41 110 127 128 67 95 58 0.988 22.91 221.7 76 98 97 99 127 49.8 1.768 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.2292 1345.0 >20 scans 80% 60 m/z (81) 0.19% 0.538% 3277 0.1 371 323668 38359572 34470153 1-7 20: 60 73 57 41 55 115 43 129 98 87 69 45 61 70 56 83 74 39 42 101 0.979 22.70 -130.3 73 92 94 99 158 24.9 0.450 0.533 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.2292 1345.0 >9 scans 85% TIC 0.18% 0.255% 3277 0.3 383 339247 0.522% 18210476 16824218 37162708 0-6 0.977 25.35 195.8 77 95 94 99 162 0.0 0.000 -2.125 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0799 1371.3 7.2 scans 68% 73 m/z 0.14% 0.186% 3421 1.1 349 434434 13304625 12298261 2-5 19: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 45 432 75 148 251 0.849 24.17 -152.5 79 99 92 99 429 103.1 8.744 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 24.5415 1386.7 7.8 scans 50% 57 m/z (141) 1.2% 0.0288% 3499 0.9 128 49871 0.0414% 2050582 1938670 2947387 0-3 15: 57 71 85 43 41 84 127 99 113 56 155 169 72 112 140 0.919 24.54 249.4 67 93 89 93 169 15.1 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6749 1391.2 8.2 scans 60% 43 m/z (80) 1.1% 0.0383% 3521 1.1 142 54056 2729392 2439260 1-9 20: 43 83 41 69 142 55 82 58 85 113 56 111 39 127 70 71 93 128 86 68 0.973 24.70 251.6 69 88 88 98 170 4.0 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.8615 1397.4 11.9 scans 35% 71 m/z (98) 2.9% 0.0187% 3553 1.9 87 20997 1334560 1189471 2-3 18: 71 57 85 43 127 113 69 41 70 55 81 116 84 99 56 86 100 141 0.867 20.36 -2.8 67 71 84 75 170 2.6 0.000 4.503 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1962 1408.6 7.6 scans 47% 43 m/z 0.43% 0.0287% 3610 1.2 132 143035 2047262 1764956 10-5 11: 43 103 145 116 115 86 74 146 61 44 104 0.923 25.24 -151.3 79 100 93 100 145 47.9 13.209 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4359 1416.6 12.6 scans 93% TIC 0.016% 2.16% 3650 1.0 880 3685439 153848653 137919449 2-5 0.994 25.89 259.6 77 96 94 96 162 227.6 6.696 -0.456 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN GLAU_R~1-N1080 ? Solanone 25.7824 1428.1 7.2 scans 57% 93 m/z (85) 0.81% 0.0407% 3709 1.0 161 76704 2901140 2753651 1-1 15: 93 43 121 136 79 91 71 77 194 94 155 92 108 125 137 0.961 25.78 272.8 76 99 97 99 194 22.0 1.861 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1036 ?? trans-2,8-p-Mentha-dien-1-ol 25.9347 1433.2 11.2 scans 16% 93 m/z (153) 2.1% 0.0214% 3734 1.4 92 29159 1524004 1511821 0-1 8: 93 119 79 137 96 105 94 92 0.632 21.15 7.5 60 67 52 70 152 5.9 0.000 4.781 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4772 1451.4 8.1 scans 43% 189 m/z (73) 3.2% 0.0215% 3827 0.9 111 19477 1535294 1471737 1-1 11: 189 69 204 190 154 91 107 175 145 205 122 0.871 45.98 -28.3 62 67 54 70 204 29.0 6.869 -19.498 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5121 1452.5 7.5 scans 22% 73 m/z (191) 3.1% 0.00940% 3832 1.1 74 19603 669610 616888 1-3 15: 73 355 267 68 357 268 356 163 281 403 207 74 269 75 249 0.730 18.09 410.9 63 89 66 98 355 28.7 14.835 8.420 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0882 1471.8 6.6 scans 51% 221 m/z 0.97% 0.0281% 3930 1.1 143 64315 2002244 1933373 1-1 18: 221 73 147 281 222 267 355 223 148 282 443 356 283 357 74 191 129 205 0.872 27.12 296.9 78 98 89 98 355 26.5 3.417 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 8.3 scans 67% 57 m/z (139) 0.50% 0.0676% 3944 1.1 193 123179 0.123% 4819314 4440590 8756730 2-0 19: 57 71 85 43 41 56 55 99 198 70 42 84 127 112 98 141 126 113 39 0.985 27.21 -1.4 93 95 96 97 198 23.1 1.431 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1032 ? Myosmine 28.0475 1507.3 9.7 scans 23% 118 m/z 0.89% 0.0270% 4093 1.5 114 69689 1926971 1736586 3-3 14: 118 146 145 131 78 65 79 51 104 116 64 142 129 72 0.585 27.93 320.6 70 92 64 90 146 59.7 27.290 0.116 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3834 1520.0 8.6 scans 76% 80 m/z 0.11% 0.179% 4150 1.0 316 536975 12809664 11978705 2-2 20: 80 171 104 84 53 78 170 77 172 91 81 51 65 103 123 39 79 105 52 63 0.958 28.39 326.6 78 98 94 97 171 136.3 18.552 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6597 1530.3 8.3 scans 72% 43 m/z (163) 0.14% 0.274% 4197 0.9 376 433094 0.284% 19523003 17376715 20218791 1-9 20: 43 69 41 151 136 107 93 67 125 109 53 83 121 39 81 79 68 108 123 91 0.945 28.67 332.9 76 99 97 99 194 21.7 0.332 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0947 1546.7 7.7 scans 75% 71 m/z 0.16% 0.381% 4270 1.1 499 387778 0.444% 27147256 24696648 31609660 2-0 20: 71 57 43 177 85 41 135 70 149 141 56 67 205 99 112 136 69 97 121 178 0.924 29.09 343.0 74 95 90 96 220 92.1 3.398 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5115 1562.4 7.3 scans 81% 73 m/z 0.070% 0.486% 4341 0.9 560 884400 34605521 32983606 2-2 20: 73 281 147 282 415 341 503 221 399 148 328 74 504 416 325 342 207 505 149 75 0.975 29.61 -150.7 80 99 96 99 503 90.7 2.621 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6774 1568.6 9.3 scans 85% 177 m/z 0.020% 1.53% 4369 0.6 896 3045073 109603093 103032338 2-1 20: 177 43 158 178 91 93 157 121 79 149 133 159 119 192 95 41 117 162 136 65 0.952 29.68 356.1 68 87 86 87 192 103.5 1.333 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7736 1572.2 7.6 scans 80% 123 m/z 0.025% 0.586% 4385 0.8 607 2444012 41752316 37182198 1-4 20: 123 43 135 124 107 91 95 79 109 41 77 55 39 81 93 97 53 67 125 105 0.975 29.77 358.2 79 98 97 99 193 48.7 0.644 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9413 1578.5 9.2 scans 73% 71 m/z (156) 0.15% 0.325% 4413 0.8 381 412493 23138538 22051654 1-1 17: 71 85 57 43 99 113 69 127 155 84 55 70 56 112 42 86 154 0.936 29.94 362.1 72 96 94 97 254 9.7 0.065 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1674 1587.0 8.1 scans 54% 57 m/z (109) 0.49% 0.105% 4452 1.1 245 126320 0.147% 7490295 7177259 10465360 1-0 20: 57 71 43 85 41 55 99 84 56 113 70 127 69 98 155 183 42 83 86 141 0.893 30.38 -7.9 81 84 94 85 212 3.0 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5216 1601.0 8.6 scans 91% 191 m/z 0.010% 1.89% 4512 0.7 1025 6200797 135172859 127616137 2-2 20: 191 206 192 57 163 74 175 91 115 41 107 73 77 88 128 147 161 133 117 121 0.996 30.50 376.2 80 100 99 100 206 279.9 7.452 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8427 1614.5 8.2 scans 33% 124 m/z (161) 1.0% 0.0342% 4566 0.9 137 62212 2441533 2292273 3-4 5: 124 137 180 138 54 0.905 30.81 385.1 69 90 79 95 180 35.4 6.622 0.036 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8917 1616.5 8.8 scans 49% 161 m/z (170) 0.81% 0.0754% 4574 0.9 194 76755 5372323 4880626 2-2 16: 161 162 147 134 91 165 77 163 189 133 145 205 51 115 207 65 0.927 30.88 0.5 87 89 81 93 204 37.7 3.775 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2495 1631.6 11.6 scans 70% 111 m/z 0.044% 0.986% 4635 0.4 658 1388429 1.06% 70249288 67086021 75464503 2-3 20: 111 109 137 67 180 110 95 124 152 41 79 69 77 81 112 39 93 91 65 53 0.870 31.18 396.6 77 98 86 98 180 151.3 5.279 0.071 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5186 1642.9 10.4 scans 59% 43 m/z (105) 0.53% 0.0924% 4680 1.2 202 117534 6579513 6125286 1-1 20: 43 98 111 71 57 166 55 82 127 41 151 68 99 97 84 83 67 39 69 107 0.974 31.52 0.2 92 94 93 95 166 34.7 2.957 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6550 1648.6 7.8 scans 12% 237 m/z (190) 3.2% 0.0121% 4704 1.3 81 19472 0.0177% 864147 829783 1260115 2-0 9: 237 341 429 343 342 325 238 431 267 0.286 31.63 0.9 61 66 14 89 429 16.3 4.011 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7961 1654.5 9.2 scans 12% 193 m/z (57) 1.8% 0.0114% 4728 1.0 76 33139 818024 773070 2-2 4: 193 208 175 178 0.728 31.80 0.0 65 72 28 80 208 17.0 5.044 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9159 1659.6 8.7 scans 53% 71 m/z (143) 1.1% 0.0747% 4748 0.8 190 55763 0.0955% 5324985 4905689 6798925 0-1 19: 71 57 85 43 55 69 41 99 70 72 112 127 56 111 113 238 67 183 141 0.965 31.92 -0.1 77 79 91 86 219 4.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0617 1665.7 6.7 scans 29% 221 m/z 0.61% 0.0424% 4773 1.0 172 101697 3020440 2756112 3-2 20: 221 73 147 222 295 207 341 223 281 296 74 325 342 148 297 343 356 355 357 326 0.936 32.08 -0.7 95 97 89 97 355 29.3 2.902 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2353 1673.0 8.9 scans 40% 57 m/z 0.43% 0.0878% 4802 1.4 222 145076 6252482 5712449 1-2 20: 57 43 71 149 85 105 41 77 55 56 99 183 69 70 123 113 100 42 182 135 0.703 32.24 -0.1 79 88 73 87 226 9.5 0.184 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4378 1681.5 9.7 scans 55% 57 m/z (119) 0.55% 0.106% 4837 1.0 223 112157 7558606 7068215 1-1 20: 57 85 71 56 43 197 41 55 196 113 99 69 70 67 108 42 100 83 107 97 0.870 32.44 -0.2 83 89 89 91 226 7.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6869 1692.0 8.8 scans 84% 205 m/z 0.30% 0.537% 4879 0.8 548 207501 38280613 35804199 2-2 20: 205 91 119 43 105 93 159 79 107 147 162 41 77 187 131 106 69 67 121 133 0.957 32.67 0.5 95 95 91 98 220 33.0 0.361 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8652 1699.5 8.0 scans 23% 70 m/z (149 101) 0.81% 0.0656% 4909 1.3 186 76540 0.0784% 4670568 4300589 5581526 3-0 4: 70 201 134 203 0.791 32.87 -0.0 61 68 71 77 186 2.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9360 1702.4 7.7 scans 59% 71 m/z 0.049% 0.270% 4921 0.9 405 1262849 19284185 16964836 6-7 15: 71 43 111 159 56 243 72 155 173 143 98 89 73 44 244 0.905 32.93 0.1 96 96 89 98 243 62.6 2.396 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0913 1709.0 7.2 scans 27% 83 m/z (216) 2.4% 0.0305% 4947 0.9 140 25707 2172323 2019183 1-1 20: 83 97 55 70 69 56 84 43 57 41 112 98 85 126 125 54 71 67 42 157 0.929 33.09 0.3 85 87 94 96 224 7.7 0.302 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3097 1718.1 7.3 scans 65% 57 m/z (163) 0.28% 0.121% 4984 0.8 270 220094 0.139% 8633795 8491475 9895817 0-3 18: 57 71 43 85 41 55 99 56 70 226 113 42 84 72 98 112 140 141 0.970 33.37 -2.7 91 96 96 96 226 30.1 1.240 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8965 1728.3 7.8 scans 31% 71 m/z (233) 1.3% 0.0326% 5083 1.0 144 46006 0.0403% 2325831 2297581 2869075 0-2 16: 71 57 43 70 85 197 167 99 196 141 113 56 127 198 72 140 0.889 33.90 -0.0 86 90 92 94 197 25.5 3.130 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2714 1733.6 >6 scans 26% TIC 0.81% 0.00791% 5147 0.8 137 76776 563788 563788 0-0 0.727 34.27 0.0 87 92 74 92 211 26.0 3.587 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4060 1735.6 >13 scans 96% 221 m/z 0.012% 6.05% 5170 0.4 1500 4955898 7.27% 431081311 405702786 517572582 2-0 20: 221 147 267 207 325 191 328 399 326 149 383 131 75 339 313 250 145 371 235 209 0.994 34.39 452.6 81 100 99 100 415 174.6 1.358 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9201 1742.9 8.6 scans 3.4% 68 m/z (91) 0.98% 0.0598% 5256 1.2 177 63506 4263625 3995096 4-3 2: 68 224 0.658 34.90 0.2 75 83 79 95 224 23.3 1.738 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9597 1743.5 >22 scans 86% 91 m/z 0.018% 3.29% 5264 0.1 946 3449711 234723395 227297918 0-1 20: 91 155 199 65 90 184 120 92 44 89 137 106 63 77 39 64 134 156 51 200 0.950 34.79 454.5 80 100 98 99 199 265.3 7.863 0.174 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7153 1754.3 9.3 scans 41% 123 m/z (70) 0.28% 0.109% 5392 1.0 229 221236 7781222 7282807 2-1 13: 123 193 124 209 109 125 105 175 121 165 131 194 181 0.958 35.70 451.6 74 97 93 97 224 18.3 0.644 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2059 1775.6 8.1 scans 7.7% 209 m/z 1.4% 0.0102% 5644 1.0 81 42279 731181 709082 2-1 11: 209 224 181 165 210 89 178 179 194 166 193 0.535 37.20 449.3 70 94 54 92 224 33.2 16.776 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3092 1777.1 10.2 scans 56% 85 m/z (129) 0.49% 0.144% 5662 1.2 251 125300 10258093 9549006 0-3 19: 85 57 43 99 70 84 55 41 69 111 56 141 169 155 97 72 86 112 42 0.962 38.91 -22.9 81 85 95 86 254 3.8 0.000 -1.601 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0613 1787.9 8.5 scans 58% 57 m/z 0.26% 0.117% 5789 1.0 285 232534 8390666 7724034 2-2 20: 57 71 85 43 56 41 99 225 55 113 127 69 70 98 141 83 155 97 169 42 0.913 38.06 448.2 77 98 90 97 225 51.9 3.324 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5861 1795.4 11.4 scans 96% 73 m/z 0.014% 4.93% 5878 0.5 1455 4225506 351141551 334672877 2-3 20: 73 221 147 341 207 430 431 148 223 283 459 208 133 131 268 45 145 59 251 415 0.994 38.59 447.3 80 99 98 100 429 428.8 8.690 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8063 1798.5 9.1 scans 46% 71 m/z 0.41% 0.0808% 5915 1.4 232 150089 5753755 5437176 1-2 20: 71 57 85 127 239 43 55 126 211 41 99 69 84 113 240 169 141 70 155 56 0.767 36.21 -52.4 62 85 77 83 240 23.8 0.000 2.595 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4592 1868.1 8.5 scans 29% 87 m/z (187) 1.5% 0.0315% 6025 1.1 128 40229 2244423 2055862 3-3 13: 87 102 228 60 213 143 75 229 129 256 101 185 199 0.900 39.45 506.6 70 95 89 97 256 16.3 1.619 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8624 1918.1 15.9 scans 94% 95 m/z 0.021% 8.09% 6094 0.2 1606 2930466 576003172 543570471 0-11 20: 95 68 123 69 55 67 83 43 41 97 96 124 79 110 56 138 39 42 278 77 0.995 39.94 549.0 81 100 99 100 278 96.4 0.000 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9261 1926.0 6.5 scans 66% TIC 0.29% 0.126% 6105 1.3 346 210633 8980874 7896937 1-2 0.956 39.88 557.7 77 98 96 98 250 33.5 0.937 0.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3276 1975.7 7.6 scans 50% 149 m/z (237) 0.097% 0.113% 6173 1.0 258 640183 8090371 7561683 2-4 11: 149 150 223 104 76 167 205 65 50 132 224 0.928 40.31 600.8 75 98 84 98 223 57.2 4.902 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N406_R~1-N1110 Phytol 40.3978 1984.5 7.6 scans 68% 81 m/z (168) 0.31% 0.269% 6185 1.3 382 196773 19179339 17319714 4-3 12: 81 82 95 68 123 79 67 96 124 109 110 278 0.941 40.66 -32.7 90 97 93 96 278 41.7 1.195 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6210 2012.1 7.1 scans 16% 221 m/z (109) 2.9% 0.0119% 6222 0.9 84 21410 852241 741293 1-5 18: 221 73 147 295 207 281 222 180 297 341 355 191 148 279 282 327 370 265 0.803 40.63 632.0 71 98 87 97 369 14.3 2.876 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1254 Phytol 40.8535 2041.0 7.8 scans 77% 82 m/z (169) 0.38% 0.221% 6262 1.2 360 161116 15772994 14773363 1-3 20: 82 81 95 68 57 123 43 69 79 55 67 71 41 83 96 97 109 124 278 111 0.989 40.87 -1.7 97 99 99 99 278 43.1 1.427 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0064 2059.9 8.2 scans 18% 138 m/z 1.8% 0.0180% 6288 1.0 105 33936 1286543 1179627 2-0 8: 138 120 109 121 124 65 262 193 0.627 41.00 674.1 72 99 70 98 262 15.0 2.039 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2449 2089.5 8.1 scans 60% 79 m/z (170) 0.63% 0.115% 6328 1.2 256 98440 8251009 7861481 1-1 18: 79 67 93 95 80 91 108 121 41 94 81 77 107 59 135 87 78 92 0.964 41.26 -1.5 96 100 97 99 264 16.7 0.425 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4787 2118.5 9.4 scans 80% 205 m/z 0.14% 0.696% 6368 0.5 598 429272 49613039 47630305 3-1 20: 205 57 217 175 189 177 220 55 232 91 41 261 191 203 192 161 77 109 115 163 0.924 41.49 -78.1 85 99 91 99 276 40.3 0.454 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0330 2149.9 8.8 scans 90% 74 m/z 0.016% 2.33% 6462 0.6 1121 3767295 165926287 158286071 3-2 20: 74 87 143 43 75 55 227 41 270 69 57 239 83 185 101 97 171 88 199 241 0.958 42.01 747.9 80 100 96 99 272 30.7 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3270 2166.4 9.4 scans 86% TIC 0.090% 0.438% 6512 1.1 485 691639 31216189 29281049 2-3 0.979 42.37 757.4 75 92 95 99 503 74.9 2.383 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3636 2168.4 8.3 scans 5.8% 161 m/z (73) 6.9% 0.0119% 6518 1.3 80 8930 853547 767637 3-3 11: 161 81 91 122 107 80 120 104 92 108 106 0.742 42.40 -2.0 76 87 65 83 272 6.8 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.1541 2212.8 9.5 scans 38% 57 m/z (99) 1.2% 0.0442% 6652 1.0 138 51435 3151220 2911598 3-1 19: 57 71 56 85 252 113 253 69 97 141 127 197 42 58 225 254 86 125 183 0.748 43.94 -43.9 67 81 75 79 282 4.2 0.000 -0.782 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2969 2220.8 8.5 scans 40% 91 m/z (111) 4.1% 0.0338% 6676 0.9 133 14936 2411880 2209787 2-1 18: 91 119 105 93 131 145 77 79 147 107 187 81 133 171 143 228 132 159 0.814 43.31 -0.6 83 92 71 90 278 18.1 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9758 2316.5 9.5 scans 21% TIC 4.7% 0.0121% 6960 0.8 89 13172 0.0133% 865204 804945 946866 2-0 0.382 44.99 856.1 67 96 36 93 270 18.1 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1234 ?? Thunbergol 45.2332 2331.3 8.6 scans 50% 43 m/z (270) 1.4% 0.0640% 7004 1.0 170 43151 0.0766% 4561270 3964431 5453378 0-5 18: 43 107 71 79 57 99 81 97 41 55 69 93 133 95 98 267 77 135 0.804 44.90 19.1 67 78 71 78 272 0.0 0.000 0.332 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN N6_REP1-N1178 ?? UNK Alkene structure 45.4516 2343.9 10.2 scans 44% 81 m/z (139) 2.3% 0.0451% 7041 1.9 131 26067 3216807 2834103 2-5 19: 81 43 69 93 83 41 123 107 125 79 148 133 95 53 136 67 135 108 109 0.838 45.47 874.0 66 92 82 90 288 5.5 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7999 2364.0 7.8 scans 39% 73 m/z (105) 1.0% 0.0311% 7100 1.1 135 57995 2220803 2083762 2-1 19: 73 355 147 221 281 357 207 341 429 222 356 148 282 74 503 430 415 223 416 0.860 45.78 1.4 93 97 81 96 503 12.2 0.812 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1026 Methyl stearate 45.9203 2370.9 >8 scans 83% TIC 0.15% 0.217% 7120 0.8 381 408296 0.603% 15468305 14381908 42929335 2-0 0.989 45.92 892.2 80 99 98 99 298 57.0 2.240 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1228 ? C18:2-butanoate 45.9782 2374.2 8.0 scans 76% 67 m/z (264) 0.21% 0.395% 7130 0.8 460 287601 28177103 25537052 4-2 17: 67 81 95 82 79 68 96 54 109 110 80 123 93 94 136 150 294 0.938 46.00 -1.4 70 74 69 75 294 48.5 1.113 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1063 2381.6 8.2 scans 80% 79 m/z (84) 0.16% 0.452% 7152 1.0 487 384895 32242583 29064505 2-5 19: 79 67 95 93 80 108 81 91 41 94 107 77 121 149 135 78 122 109 59 0.986 46.13 -1.6 94 95 96 99 292 34.1 0.489 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7598 2419.2 8.4 scans 78% TIC 0.28% 0.119% 7263 1.0 265 219896 8479892 7653259 3-3 0.931 46.76 924.1 79 99 92 98 298 45.7 2.975 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9411 2544.8 7.7 scans 52% 73 m/z (223) 2.8% 0.0108% 7632 1.2 78 21978 771960 709747 2-4 20: 73 147 221 429 281 282 356 207 430 74 415 401 295 341 148 149 432 431 267 325 0.802 48.95 994.4 72 99 83 99 429 21.1 7.240 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3549 2626.1 8.1 scans 72% 74 m/z 0.87% 0.0419% 7871 1.1 157 71296 2986110 2733399 2-4 19: 74 87 43 75 143 55 57 69 41 283 71 59 326 88 129 241 185 111 85 0.861 50.36 1039.1 76 99 87 97 326 29.1 3.446 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP1.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8620 2712.8 8.0 scans 40% 73 m/z 5.0% 0.00505% 8127 1.0 55 12362 359542 327725 3-4 15: 73 429 355 281 503 431 221 430 295 357 356 341 74 327 401 0.672 51.86 1081.9 69 93 64 90 503 9.6 3.043 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1770 773.0 4.6 scans 91% 77 m/z (43) 0.039% 0.195% 49 2.6 370 1487579 12977948 10518985 1-7 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 80 65 48 0.998 4.37 19.0 99 100 100 100 77 314.3 72.040 -0.194 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5171 833.9 17.4 scans 76% 207 m/z 0.56% 0.0462% 445 2.8 111 105102 3066717 2914266 1-1 15: 207 209 96 193 177 119 147 135 176 161 133 149 211 189 73 0.895 6.53 -142.9 80 100 89 99 207 83.5 56.408 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6257 862.8 8.3 scans 85% 41 m/z (37) 1.4% 0.0582% 633 2.4 151 42079 3858747 3337978 2-3 19: 41 55 69 83 39 42 57 98 70 97 43 53 56 80 38 68 81 51 79 0.973 7.71 7.5 97 99 98 99 98 32.6 4.657 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1016 ? Pivalic acid 10.5620 939.2 8.1 scans 44% 57 m/z (99) 6.5% 0.00456% 1131 1.5 45 8993 302787 263672 10-1 7: 57 45 87 56 41 59 102 0.757 6.03 -22.4 71 76 72 76 102 2.8 0.000 4.529 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2120 982.2 7.8 scans 38% 43 m/z (94) 0.84% 0.0304% 1410 1.3 121 70060 2015571 1746848 1-6 9: 43 99 71 251 111 142 39 42 72 0.569 12.22 35.9 82 91 6 96 281 75.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6530 993.7 9.1 scans 84% 81 m/z 0.18% 0.148% 1485 1.8 248 324610 9877640 8690431 2-3 20: 81 110 53 39 67 79 41 68 77 65 82 51 95 66 50 55 40 54 52 109 0.978 13.22 30.1 95 96 95 99 110 72.7 8.598 -0.569 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1016 Limonene 13.8891 1026.9 8.8 scans 44% TIC 1.8% 0.0283% 1694 1.2 124 31393 1879775 1676271 2-1 0.587 13.89 51.6 80 96 76 95 136 22.7 3.327 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0786 1032.0 10.5 scans 90% 79 m/z 0.16% 0.295% 1727 1.5 328 348596 19599614 18012398 2-4 20: 79 108 107 77 51 91 78 50 89 80 90 63 65 39 109 75 52 53 74 105 0.991 14.11 53.0 93 100 99 100 108 145.1 19.536 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4399 1041.8 9.6 scans 91% TIC 0.039% 0.539% 1788 1.6 458 1512436 35799381 32390440 4-3 0.992 14.44 57.0 91 100 99 100 120 148.2 10.477 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1678 1061.5 >10 scans 85% 105 m/z 0.18% 0.138% 1911 0.8 246 322569 9192319 8870026 2-0 19: 105 123 77 46 51 50 106 124 78 76 74 79 52 75 95 53 67 39 73 0.964 15.17 64.1 89 100 98 100 123 88.5 12.979 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN 98-86-2 ? Acetophenone 15.2900 1064.9 9.8 scans 88% 105 m/z 0.017% 1.43% 1932 0.6 809 3395611 95373005 86779038 2-4 20: 105 77 120 51 106 50 78 43 74 76 121 63 75 39 52 91 65 62 38 89 0.997 15.29 -180.8 79 98 98 100 120 285.1 12.429 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4205 1068.4 8.7 scans 69% 95 m/z (93) 0.16% 0.209% 1954 1.5 303 354391 13892453 13013823 1-5 20: 95 81 124 79 43 91 109 53 39 41 65 82 96 66 55 67 80 125 63 52 0.862 15.43 66.7 83 97 92 99 124 88.1 8.471 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1002 Undecane 16.6017 1100.6 8.6 scans 32% 57 m/z 3.9% 0.00826% 2154 1.0 69 15023 547638 491257 2-1 19: 57 71 43 41 268 56 55 85 112 84 70 154 42 83 95 111 99 156 109 0.703 16.59 0.6 83 93 78 91 156 8.8 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7694 1107.7 8.7 scans 83% TIC 0.60% 0.107% 2182 1.0 225 97677 0.138% 7135063 6409337 9148939 0-4 0.957 16.82 85.3 79 96 94 95 124 13.4 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9565 1115.6 8.9 scans 88% TIC 0.23% 0.161% 2214 1.0 290 257163 10728234 9895247 1-1 0.982 16.97 90.9 81 97 96 100 128 68.5 5.592 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0415 1119.2 9.6 scans 78% 91 m/z 0.14% 0.156% 2228 1.5 251 396436 10393348 9376959 8-3 17: 91 92 122 65 63 51 77 93 89 78 123 104 50 62 90 74 52 0.970 17.05 93.2 82 100 97 100 122 86.5 11.859 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0675 1162.5 >17 scans 59% TIC 0.44% 0.0802% 2402 1.6 171 133616 5322483 4375246 3-2 0.938 18.13 -169.2 80 99 91 99 355 69.5 16.550 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1018 ?? Pyranone 18.1324 1165.3 >13 scans 16% 101 m/z (73) 2.3% 0.0177% 2413 0.9 78 24705 1177864 1112413 2-0 15: 101 43 72 44 144 100 42 145 112 70 114 115 86 104 67 0.663 18.22 121.8 61 85 78 94 144 25.9 11.171 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7169 1190.0 >20 scans 36% 69 m/z 0.92% 0.0464% 2512 0.6 178 63963 0.126% 3080312 2837360 8353380 1-0 12: 69 41 97 84 109 81 124 44 129 56 127 38 0.938 18.71 139.2 73 94 91 96 153 5.2 0.086 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 18.7493 1191.3 >21 scans 71% 60 m/z 0.49% 0.226% 2518 0.1 247 120228 0.242% 15018647 14317776 16043792 1-4 20: 60 69 85 73 41 101 55 57 97 87 45 43 115 88 56 82 42 108 70 89 0.857 22.03 -117.8 73 94 89 96 175 0.0 0.000 -3.285 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 18.7493 1191.3 >7 scans 83% TIC 0.41% 0.0962% 2518 0.5 267 141413 0.288% 6378120 6265976 19093439 0-3 0.975 19.87 123.0 75 93 88 97 144 4.2 0.000 -1.122 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8202 1194.3 7.6 scans 28% TIC 4.5% 0.00471% 2530 1.0 76 12949 312314 312314 0-0 0.630 18.83 141.6 66 98 68 95 122 6.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1189 1207.0 8.7 scans 26% 82 m/z (105) 1.5% 0.0172% 2580 1.7 86 38019 1145677 1043396 2-5 2: 82 54 0.909 19.12 149.9 73 94 96 99 97 12.4 2.082 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.1478 1208.2 11.8 scans 40% 105 m/z (82) 1.0% 0.0394% 2585 0.5 111 57402 2617114 2388198 1-4 14: 105 122 77 51 152 123 76 106 74 137 78 45 94 153 0.884 20.03 137.5 72 96 91 96 122 58.8 28.179 -0.881 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2482 1212.4 9.6 scans 16% 119 m/z (115) 4.0% 0.00599% 2602 1.0 50 14614 397732 364649 4-1 2: 119 134 0.796 13.76 12.9 77 84 64 85 134 20.3 16.364 5.491 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8131 1236.3 9.3 scans 76% 57 m/z 0.22% 0.166% 2698 1.5 267 266640 11007002 10067822 2-3 20: 57 45 41 75 87 56 89 72 59 101 100 85 73 60 44 58 55 132 61 62 0.945 19.81 168.8 78 98 91 99 144 0.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3161 1257.5 10.4 scans 29% 85 m/z (137) 4.9% 0.00881% 2783 1.1 56 11918 584196 499363 4-2 12: 85 43 84 127 70 99 57 170 56 112 113 58 0.863 20.32 -0.2 85 97 82 93 170 7.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1034 ? Decanal 20.5209 1263.7 8.0 scans 80% 57 m/z (85) 0.89% 0.0971% 2818 1.0 214 66303 6441605 5653930 5-3 20: 57 41 43 55 70 82 71 68 83 44 56 67 81 112 69 96 42 84 39 54 0.982 20.57 -143.3 72 91 94 98 138 11.4 0.284 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5209 1263.7 8.2 scans 78% TIC 0.85% 0.0889% 2818 0.9 212 69131 5897858 5370676 2-6 0.960 20.56 185.0 79 100 99 100 128 19.0 0.802 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9448 1276.5 16.7 scans 85% TIC 0.077% 0.323% 2890 1.3 360 764345 0.440% 21425395 19956076 29170532 8-0 0.996 20.98 191.5 79 98 96 99 152 5.7 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1490 1282.6 10.8 scans 12% 281 m/z 2.4% 0.00768% 2924 2.4 53 24371 509291 473224 2-2 11: 281 282 284 283 191 207 267 265 251 193 249 0.739 12.25 129.5 75 97 61 95 281 40.2 58.640 8.898 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1042 ? Phytol 21.2695 1286.2 >9 scans 62% TIC 2.4% 0.0189% 2945 1.2 127 24209 0.0512% 1254072 1202442 3394389 0-1 0.961 35.35 -11.2 77 79 85 79 196 0.0 0.000 -14.078 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9041 1335.3 8.6 scans 54% 69 m/z (83) 0.19% 0.227% 3221 1.1 309 303269 15062954 13097669 5-4 11: 69 43 109 86 71 110 127 128 95 67 111 0.972 22.91 221.7 76 98 97 99 127 41.9 1.838 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.1231 1341.8 >20 scans 76% 60 m/z 0.23% 0.395% 3259 0.1 315 252153 26231641 23585311 1-7 20: 60 73 57 115 41 55 43 129 98 87 69 61 45 74 83 42 56 70 101 39 0.953 22.70 -133.5 75 95 93 98 158 22.1 0.492 0.427 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.1231 1341.8 >20 scans 79% 60 m/z (79) 0.23% 0.461% 3259 0.1 322 248496 30626497 27536800 1-7 20: 60 73 57 115 41 55 43 129 98 87 69 61 45 74 83 42 56 70 101 39 0.968 25.35 192.6 75 96 95 99 162 0.0 0.000 -2.231 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1032 ?? Dodecane 23.6957 1359.0 6.6 scans 18% 71 m/z (141 140) 7.7% 0.00351% 3355 0.9 47 7624 233209 217465 1-1 10: 71 85 57 43 84 113 70 127 155 99 0.801 20.36 -41.2 60 82 71 80 170 3.7 0.000 3.338 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0818 1371.3 7.2 scans 63% 73 m/z 0.20% 0.132% 3421 1.0 280 284636 8752886 8273633 2-3 18: 73 341 429 342 325 147 343 430 431 74 326 207 82 327 344 45 68 148 0.810 24.17 -152.5 79 99 91 99 429 85.2 9.280 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1006 ? Tridecane 24.5417 1386.7 7.5 scans 56% 71 m/z (56 159) 1.8% 0.0254% 3499 1.3 114 32723 1688241 1557650 1-2 15: 71 57 85 43 84 41 127 70 155 99 113 169 126 72 86 0.909 23.86 22.7 71 76 85 78 184 0.0 0.000 0.680 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5417 1386.7 7.5 scans 51% 71 m/z (159) 1.5% 0.0232% 3499 1.3 109 39064 1541691 1422435 1-2 15: 71 57 85 43 84 41 127 70 155 99 113 169 126 72 86 0.962 24.54 249.4 75 98 95 98 169 13.0 1.402 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6786 1391.3 7.8 scans 59% 43 m/z (121) 1.2% 0.0341% 3522 1.2 129 47390 2264515 2011544 0-4 19: 43 83 69 82 41 58 56 113 111 39 70 67 71 142 127 68 100 128 124 0.959 24.70 251.7 69 90 89 98 170 4.8 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1969 1408.6 7.5 scans 47% 43 m/z 0.47% 0.0275% 3610 1.1 123 125202 1827743 1589824 2-6 10: 43 145 103 116 115 86 74 73 61 146 0.937 25.24 -151.3 79 100 96 100 145 45.1 13.391 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4283 1416.3 13.3 scans 85% 84 m/z (71) 0.065% 0.641% 3649 2.2 421 901882 42512199 39449582 2-1 20: 84 133 162 161 42 119 92 118 82 130 85 65 78 134 51 117 105 63 120 159 0.977 25.89 259.3 74 96 92 96 162 107.0 6.464 -0.464 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7873 1428.3 7.6 scans 38% 93 m/z (85) 1.7% 0.0194% 3710 0.8 103 34181 1291401 1221384 1-1 9: 93 136 121 91 79 94 125 151 126 0.934 25.78 273.0 74 99 93 98 194 14.8 2.059 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0931 1471.9 6.6 scans 35% 221 m/z 2.1% 0.0121% 3930 1.0 88 27563 803039 756396 1-2 17: 221 73 147 281 355 148 283 267 222 443 191 207 339 265 205 356 268 0.814 27.12 297.0 75 97 80 95 355 17.5 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1674 1474.4 >9 scans 68% TIC 0.58% 0.0384% 3944 1.2 173 101435 0.118% 2552155 2552155 7823006 0-0 0.945 27.21 -1.4 93 94 92 94 198 20.7 1.440 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1032 ?? Myosmine 28.0382 1507.0 9.9 scans 43% 118 m/z 0.73% 0.0602% 4091 1.6 160 80927 3992428 3748049 2-3 19: 118 146 105 145 43 91 131 190 78 117 119 77 142 65 39 133 51 79 132 0.645 27.93 320.3 69 93 75 93 146 63.1 15.564 0.107 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3812 1519.9 8.6 scans 72% 80 m/z 0.14% 0.142% 4149 1.0 268 400816 9428357 8963983 2-2 20: 80 171 104 53 78 91 77 172 170 81 51 65 103 39 79 105 52 50 167 63 0.932 28.39 326.5 78 98 93 98 171 117.3 19.100 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6580 1530.3 8.0 scans 74% 43 m/z (166) 0.16% 0.234% 4196 1.0 337 360481 15527415 13860044 9-9 19: 43 69 41 151 136 107 93 125 67 109 53 121 83 68 39 81 108 79 91 0.980 28.67 332.9 77 99 99 99 194 21.6 0.410 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0925 1546.6 7.7 scans 48% 71 m/z 0.16% 0.249% 4270 1.1 381 351136 0.282% 16527266 15555021 18695659 6-0 20: 71 57 177 43 85 41 149 70 55 141 163 67 205 113 56 99 112 136 91 84 0.575 29.09 342.9 73 95 67 94 220 95.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5116 1562.4 7.3 scans 75% 73 m/z 0.081% 0.440% 4341 0.9 504 727735 29179453 27668052 2-2 20: 73 281 147 327 282 415 341 503 283 221 399 328 148 74 504 416 325 329 342 505 0.974 29.61 -150.7 79 99 96 99 503 83.9 2.771 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6716 1568.4 8.9 scans 89% 177 m/z (100) 0.023% 1.40% 4368 0.7 801 2541294 92972380 87560213 2-1 20: 177 43 135 91 158 93 77 105 121 107 149 79 133 122 119 95 159 192 41 109 0.986 29.68 355.9 63 84 86 84 192 92.3 1.328 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7667 1572.0 7.8 scans 77% 123 m/z 0.034% 0.426% 4384 1.0 489 1730240 28288657 26477525 0-3 20: 123 43 135 124 107 91 95 79 109 41 77 39 93 81 97 67 53 125 105 193 0.941 29.77 358.0 79 99 93 99 193 41.0 0.704 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9390 1578.4 8.7 scans 72% 71 m/z (72) 0.19% 0.254% 4413 0.8 324 296139 16895609 15922069 1-2 18: 71 85 57 43 99 113 84 69 127 155 70 55 56 86 112 126 42 141 0.968 29.94 362.0 76 98 97 100 254 8.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 30.1640 1586.9 8.0 scans 36% 43 m/z 0.58% 0.0486% 4451 1.3 183 100505 0.0649% 3226523 2961395 4302653 1-0 20: 43 71 57 85 41 55 99 84 56 113 70 127 69 98 169 198 183 42 155 96 0.586 30.38 -8.0 77 85 72 84 212 2.5 0.000 -0.213 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5217 1601.0 8.9 scans 91% 191 m/z 0.0096% 2.03% 4512 0.6 998 6134415 134943581 124800533 2-3 20: 191 206 57 163 74 175 91 41 115 107 77 73 147 128 88 161 105 133 117 121 0.995 30.50 376.2 80 100 99 100 206 273.6 7.515 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8387 1614.3 8.4 scans 30% 124 m/z (71) 1.3% 0.0249% 4565 0.9 109 42728 1656999 1551659 3-3 2: 124 137 0.960 30.81 384.9 65 87 75 93 180 28.7 6.971 0.032 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8830 1616.2 8.7 scans 53% 161 m/z (124) 0.79% 0.0747% 4573 1.3 187 74044 4954122 4723025 1-3 16: 161 162 147 134 119 204 105 91 189 77 133 115 145 131 164 92 0.912 30.88 0.2 83 86 73 89 204 38.8 4.301 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2425 1631.3 11.4 scans 79% TIC 0.050% 0.911% 4634 0.5 621 1180601 1.09% 60436159 54547127 72263363 3-0 0.939 31.18 396.3 78 98 95 98 180 137.8 4.925 0.064 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5170 1642.8 10.5 scans 58% 43 m/z (105) 0.55% 0.0879% 4680 1.1 184 106873 5833429 5331406 1-1 20: 43 98 111 71 85 57 127 82 55 41 69 68 166 67 84 83 59 39 126 167 0.961 31.52 0.1 91 93 94 95 166 34.4 3.488 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9214 1659.8 8.5 scans 50% 83 m/z (168) 1.3% 0.0605% 4749 0.8 167 43167 0.0761% 4011392 4011392 5045176 0-0 19: 83 71 57 82 85 43 55 69 70 99 41 97 84 127 141 155 125 126 238 0.944 31.92 0.1 76 77 91 83 219 3.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0589 1665.6 6.7 scans 11% 221 m/z 1.2% 0.0172% 4772 1.0 104 47799 1141006 1060741 2-2 18: 221 73 147 295 207 222 341 355 281 296 342 267 297 356 74 282 208 343 0.786 32.08 -0.8 94 96 73 95 355 20.0 3.672 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2348 1673.0 9.0 scans 49% 57 m/z (193) 0.45% 0.147% 4802 1.3 244 129309 9808742 8763295 2-1 20: 57 43 71 149 105 85 41 56 99 183 123 69 70 100 113 150 42 182 162 170 0.820 32.24 -0.1 77 78 86 91 226 8.9 0.134 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4379 1681.5 9.5 scans 49% 57 m/z (96) 0.59% 0.0981% 4836 1.0 202 99610 0.140% 6503964 5870724 9281533 1-2 20: 57 85 71 56 43 41 197 196 55 99 113 95 86 69 107 70 124 97 42 111 0.948 32.44 -0.2 81 84 88 86 226 7.3 0.133 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6870 1692.0 8.6 scans 87% 205 m/z 0.24% 0.629% 4879 0.8 565 238470 41705693 38766820 2-2 20: 205 91 119 105 43 93 159 79 107 162 147 41 131 77 187 133 121 69 106 145 0.974 32.67 0.5 95 94 92 97 220 34.5 0.373 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8624 1699.3 8.7 scans 16% 70 m/z (165) 0.86% 0.0565% 4909 1.7 154 68267 0.0679% 3747266 3430196 4501543 3-0 3: 70 135 201 0.601 32.87 -0.2 62 71 57 77 186 2.2 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9373 1702.5 7.9 scans 59% 71 m/z 0.047% 0.297% 4921 0.8 394 1244930 19721093 17747075 7-2 14: 71 43 111 159 56 243 72 155 173 143 98 89 73 44 0.897 32.93 0.2 95 95 87 98 243 62.8 2.540 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0991 1709.3 >8 scans 40% TIC 1.5% 0.0210% 4948 0.9 163 37816 0.0638% 1398466 1293478 4229727 1-0 0.745 33.09 0.6 80 89 86 95 224 8.9 0.299 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3086 1718.1 7.6 scans 60% TIC 0.31% 0.0788% 4984 0.7 240 187522 0.0926% 5229068 4844322 6139071 0-1 0.921 33.37 -2.7 87 90 90 89 226 27.1 1.272 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8954 1728.3 7.2 scans 26% 71 m/z (181) 1.7% 0.0260% 5083 1.0 124 33925 1728355 1633197 0-1 19: 71 57 43 70 197 196 113 41 99 55 56 127 140 138 155 84 83 81 72 0.780 33.90 -0.0 83 89 88 98 197 21.4 2.992 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2750 1733.7 >7 scans 31% TIC 0.80% 0.0112% 5148 0.6 143 73636 746058 677478 1-0 0.750 34.27 0.1 84 90 75 93 211 26.6 3.466 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3984 1735.5 18.0 scans 86% TIC 0.011% 6.41% 5169 0.6 1407 5012391 7.72% 425417462 400462370 511810238 2-0 0.996 34.39 452.5 80 100 98 100 415 173.7 1.527 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.9208 1742.9 8.6 scans 1.9% 68 m/z (65) 1.2% 0.0357% 5257 1.0 128 48118 2370485 2161370 2-5 1: 68 0.531 34.90 0.2 67 86 55 87 224 21.1 2.740 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 35.0005 1744.1 >20 scans 87% 91 m/z 0.016% 3.62% 5271 0.1 951 3691269 240208583 222775110 1-1 20: 91 199 90 65 92 89 120 44 63 137 106 39 200 64 134 154 109 62 50 118 0.966 34.79 455.1 80 99 96 99 199 274.2 8.316 0.215 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7225 1754.4 9.7 scans 27% 123 m/z (70) 0.57% 0.0594% 5393 0.9 155 102621 3944417 3683072 3-1 8: 123 124 181 131 209 239 194 150 0.906 35.70 451.7 70 95 83 95 224 13.6 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2113 1775.7 7.8 scans 5.3% 209 m/z 1.8% 0.00661% 5645 0.8 62 31599 438613 418827 1-2 7: 209 224 181 175 225 103 76 0.387 37.20 449.4 65 94 44 91 224 28.2 20.575 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3093 1777.1 10.5 scans 55% 71 m/z (117) 0.55% 0.135% 5661 1.3 228 106789 8998575 8399699 1-1 20: 71 85 57 43 99 84 113 127 41 55 69 197 169 56 83 70 111 155 211 141 0.957 38.91 -22.9 81 86 94 86 254 3.5 0.000 -1.601 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0614 1787.9 8.4 scans 59% TIC 0.27% 0.107% 5789 1.0 271 217623 7139482 6636973 1-1 0.906 38.06 448.2 77 99 91 97 225 51.1 3.548 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5827 1795.3 10.9 scans 82% TIC 0.022% 4.12% 5877 0.6 1303 2582861 273289330 261751545 2-3 0.860 38.59 447.2 80 99 79 99 429 414.1 10.109 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4540 1867.4 8.3 scans 17% 74 m/z (146) 3.3% 0.0163% 6025 1.3 89 17760 1083205 1025888 2-3 6: 74 87 143 102 75 213 0.764 39.45 505.9 61 89 81 90 256 10.6 1.416 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8873 1921.2 18.9 scans 95% TIC 0.020% 9.70% 6098 0.2 1590 2948474 10.0% 643561008 633489018 662966629 0-2 0.999 39.94 552.1 81 100 100 100 278 101.1 0.404 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9422 1928.0 >7 scans 62% TIC 0.31% 0.0984% 6108 1.5 305 185455 0.110% 6526684 6252490 7292633 0-5 0.919 39.88 559.7 75 97 90 96 250 30.8 1.022 0.059 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3353 1976.7 7.7 scans 58% 149 m/z (355) 0.090% 0.136% 6174 0.9 270 651397 9067441 8568748 2-2 11: 149 150 223 104 76 167 65 205 132 105 50 0.993 40.31 601.8 77 98 97 99 223 56.6 4.401 0.030 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N406_R~1-N1110 ? Phytol 40.3985 1984.5 7.9 scans 31% 81 m/z (355) 1.0% 0.0546% 6185 1.1 160 58056 0.0689% 3622305 3245967 4567840 4-0 15: 81 95 82 123 68 79 124 109 67 96 278 110 94 53 137 0.868 40.66 -32.7 77 86 65 85 278 22.9 2.051 -0.263 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1254 Phytol 40.8590 2041.6 7.7 scans 64% 82 m/z (253) 0.81% 0.118% 6263 1.0 248 72370 7823029 7252502 2-3 11: 82 81 95 68 123 79 67 96 124 109 278 0.983 40.87 -1.1 95 98 98 99 278 29.2 1.388 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0095 2060.3 13.1 scans 40% TIC 1.1% 0.0387% 6288 1.7 159 49706 2569370 2306239 1-2 0.820 41.00 674.5 76 97 93 99 262 18.9 1.406 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2492 2090.0 7.9 scans 47% 79 m/z (252) 1.2% 0.0643% 6329 0.9 183 47398 4267652 4117769 1-1 17: 79 67 93 80 95 121 108 91 94 77 81 107 135 59 87 78 66 0.926 41.26 -1.0 92 97 93 97 264 11.9 0.420 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4458 2114.4 8.9 scans 67% TIC 0.41% 0.214% 6362 0.8 342 141236 14203716 13301539 3-2 0.876 41.49 -82.2 84 99 88 99 276 22.7 0.442 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0196 2149.1 8.1 scans 89% 74 m/z 0.028% 1.28% 6460 0.6 824 2085130 85351277 80591004 2-2 20: 74 87 43 143 55 75 41 227 270 69 83 59 239 97 101 185 171 199 56 42 0.968 42.01 747.1 79 99 96 99 272 25.0 0.092 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3289 2166.5 8.7 scans 82% 73 m/z 0.11% 0.373% 6512 1.2 422 530952 24772749 23240947 2-2 20: 73 147 281 221 355 429 503 207 341 282 148 222 74 283 356 415 504 505 431 327 0.976 42.37 757.5 75 92 95 99 503 68.0 2.594 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3755 2169.1 8.6 scans 6.5% 161 m/z (73) 9.6% 0.00938% 6520 0.7 61 6146 622081 523168 0-11 10: 161 105 142 77 79 53 168 159 107 120 0.628 42.40 -1.3 76 89 59 84 272 6.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9977 2204.0 7.9 scans 55% 82 m/z (85) 0.35% 0.0703% 6625 1.0 188 167338 4661172 4330690 2-3 9: 82 81 95 292 109 96 53 137 94 0.914 43.03 781.9 65 91 89 93 292 20.7 1.206 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.1501 2212.6 9.5 scans 37% 57 m/z (83) 0.95% 0.0518% 6651 1.2 139 61670 3438815 3015834 2-2 19: 57 71 43 85 56 253 41 141 252 84 69 97 113 70 58 224 111 169 127 0.765 43.94 -44.1 67 83 76 80 282 4.0 0.000 -0.786 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2923 2220.6 8.3 scans 38% 91 m/z (272) 5.6% 0.0256% 6675 1.3 111 10440 1702481 1533344 2-1 20: 91 145 105 77 131 119 157 79 171 185 263 133 129 132 144 159 107 81 95 92 0.855 43.31 -0.8 72 79 75 79 278 7.3 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.3030 2277.8 6.8 scans 20% 221 m/z (191) 4.9% 0.00633% 6846 1.2 60 12046 419833 388572 2-7 12: 221 147 281 223 222 207 370 369 356 283 148 205 0.795 40.63 897.7 71 98 81 96 369 11.4 3.572 3.670 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9742 2316.4 9.1 scans 18% 145 m/z 6.4% 0.0116% 6960 0.8 75 9107 772292 667584 6-6 16: 145 128 105 91 119 131 199 270 157 134 133 117 77 227 143 159 0.388 44.99 856.0 65 96 49 92 270 15.5 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 45.1524 2326.7 7.7 scans 59% 111 m/z (281) 1.6% 0.0521% 6990 1.1 161 35201 0.0781% 3459884 3105397 5177769 1-2 20: 111 98 43 95 55 69 140 112 41 57 137 81 71 97 83 85 93 139 84 121 0.901 44.90 14.5 60 69 61 67 272 6.7 0.000 0.251 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7965 2363.8 7.5 scans 34% 73 m/z 1.1% 0.0259% 7099 1.2 121 49400 1719871 1598210 2-1 19: 73 355 147 221 281 356 207 295 429 222 282 148 74 401 191 267 283 327 325 0.855 45.78 1.2 94 95 80 94 503 12.0 0.982 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9146 2370.6 >8 scans 76% TIC 0.31% 0.100% 7119 0.8 259 190895 0.299% 6668959 6369821 19822702 1-0 0.984 45.92 891.9 79 99 98 99 298 40.3 2.417 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1228 ?? C18:2-butanoate 46.0315 2377.3 >13 scans 21% 128 m/z (159) 6.5% 0.0136% 7139 0.0 79 8977 0.0318% 903618 903618 2108234 0-0 5: 128 271 202 187 130 0.252 46.00 1.7 67 78 8 85 294 8.2 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.0999 2381.2 7.8 scans 75% 79 m/z (98) 0.31% 0.220% 7151 1.1 329 190260 14633127 13328223 2-4 18: 79 67 93 95 80 108 81 91 94 107 77 121 135 149 109 122 78 59 0.973 46.13 -2.0 94 97 95 98 292 23.8 0.525 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7581 2419.1 8.1 scans 70% 74 m/z (119) 0.54% 0.0687% 7262 1.1 185 109166 4560431 4232491 3-3 15: 74 87 143 75 43 55 298 41 199 59 88 101 267 255 241 0.960 46.76 924.0 77 99 96 99 298 32.8 3.138 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4978 2461.7 8.7 scans 8.6% TIC 5.1% 0.00222% 7388 1.3 38 11499 147480 121063 0-5 0.175 47.50 948.9 65 93 16 89 168 10.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6997 2473.3 >9 scans 12% TIC 16% 0.000605% 7422 0.7 32 3698 40100 37588 3-0 0.605 44.32 1026.0 64 97 71 94 369 6.7 4.542 3.380 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9418 2544.8 7.9 scans 49% 73 m/z 2.7% 0.0104% 7632 1.1 74 21701 694009 647244 1-6 18: 73 147 355 221 429 281 356 431 283 74 295 222 267 415 401 325 430 282 0.730 48.95 994.4 71 98 72 97 429 22.0 8.752 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3462 2625.6 8.1 scans 72% 75 m/z (141) 1.8% 0.0236% 7870 1.9 106 32004 1567575 1413077 2-5 15: 75 283 241 97 83 67 68 284 227 98 123 42 139 327 54 0.864 50.36 1038.6 73 98 88 96 326 20.3 3.625 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8562 2712.5 7.7 scans 46% 73 m/z 3.8% 0.00717% 8126 1.2 62 15564 475703 452167 2-6 18: 73 221 147 355 281 222 356 429 283 341 503 148 357 296 74 401 504 430 0.692 51.86 1081.6 72 95 67 92 503 10.7 2.986 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6255 2871.8 9.1 scans 28% 73 m/z 8.8% 0.00251% 8595 1.6 35 6679 166982 163268 0-4 5: 73 222 281 221 357 0.543 45.81 1395.3 64 91 52 87 503 6.1 0.000 8.813 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1451 772.2 5.0 scans 92% 77 m/z (74) 0.049% 0.187% 44 3.2 307 1076319 10613573 9298487 0-8 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 60 64 80 0.996 4.37 18.2 99 100 99 100 77 261.2 72.323 -0.226 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2691 827.5 >5 scans 69% TIC 0.70% 0.0128% 404 9.9 95 75937 0.0403% 728585 578303 2281391 0-11 0.896 6.03 -134.1 77 99 91 99 102 11.3 1.427 0.236 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5873 835.8 19.0 scans 75% 207 m/z 0.59% 0.0477% 457 3.2 100 89468 2705835 2343717 2-3 17: 207 208 209 192 191 133 177 97 161 194 163 149 88 135 176 178 147 0.901 6.53 -141.0 80 100 89 99 207 75.3 56.425 0.059 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6835 864.3 8.4 scans 79% 41 m/z 1.4% 0.0474% 643 2.1 131 35849 2688332 2494963 1-4 20: 41 69 55 83 39 42 98 57 70 97 56 53 43 80 81 40 54 38 68 51 0.883 7.71 9.0 98 99 90 98 98 31.2 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2344 982.8 10.6 scans 41% 281 m/z (60) 0.60% 0.0437% 1414 2.2 109 88121 2474987 2295757 3-2 20: 281 43 282 99 71 265 126 191 134 55 205 284 193 83 207 67 133 72 283 203 0.582 12.22 36.5 90 97 82 99 281 74.7 47.383 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6759 994.3 9.4 scans 82% 81 m/z 0.28% 0.104% 1489 2.0 180 186663 5895244 5447633 2-2 19: 81 110 53 39 79 67 41 68 65 51 77 82 95 66 50 40 74 54 52 0.941 13.22 30.7 94 96 91 98 110 53.9 8.956 -0.546 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1022 ?? Octanal 12.9363 1001.1 8.5 scans 36% 84 m/z (43) 8.8% 0.00938% 1533 1.7 56 6026 531015 475192 3-3 9: 84 57 56 55 41 44 69 42 100 0.727 12.96 -173.7 60 92 78 89 110 4.3 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1016 Limonene 13.9085 1027.4 8.2 scans 68% 68 m/z 0.76% 0.0704% 1698 1.3 171 69539 3987091 3635537 2-5 20: 68 93 67 124 79 94 53 123 136 121 92 91 107 81 77 95 39 41 80 51 0.784 13.89 52.1 87 99 90 98 136 33.1 3.764 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0986 1032.6 11.5 scans 61% 79 m/z (57) 1.4% 0.0432% 1730 1.8 104 37793 2447550 2135479 2-2 18: 79 108 107 77 51 91 65 50 62 52 74 76 63 105 92 106 64 110 0.951 14.11 53.6 89 100 96 99 108 46.9 20.186 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4534 1042.2 9.5 scans 92% TIC 0.045% 0.463% 1790 1.3 393 1159261 26265084 23313785 2-4 0.991 14.44 57.4 91 100 99 100 120 127.1 10.475 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1771 1061.8 11.0 scans 88% 105 m/z 0.11% 0.259% 1913 1.1 294 479724 14717569 13213653 2-1 19: 105 77 123 51 46 106 50 124 78 74 76 75 79 52 39 38 49 63 93 0.983 15.17 64.4 89 100 99 100 123 105.2 12.831 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN 98-86-2 ? Acetophenone 15.2698 1064.3 10.0 scans 85% TIC 0.10% 0.244% 1928 1.2 309 525876 13828540 13098382 0-2 0.990 15.29 -181.4 79 98 97 99 120 105.6 11.720 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4328 1068.7 8.9 scans 80% 95 m/z 0.12% 0.303% 1956 1.4 329 443131 17186461 15416829 2-5 19: 95 81 124 43 79 53 109 39 41 65 82 96 66 55 51 67 50 80 125 0.957 15.43 67.0 87 98 92 100 124 96.3 8.584 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1012 ?? Nicotine 16.2362 1090.5 7.9 scans 4.1% 133 m/z 18% 0.000293% 2092 0.9 14 2944 16560 14547 2-0 5: 133 148 99 79 81 0.289 25.78 -64.8 64 100 100 100 162 0.0 0.000 -9.542 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1002 ? Undecane 16.6075 1100.9 8.8 scans 41% 71 m/z 2.1% 0.0170% 2155 1.2 86 24939 963739 883685 2-0 19: 71 57 43 41 85 55 70 83 39 93 67 121 112 81 65 82 99 98 53 0.626 16.59 0.9 75 88 67 89 156 10.3 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7781 1108.1 9.0 scans 83% TIC 0.69% 0.0939% 2184 1.2 196 76673 0.138% 5315705 4812176 7812207 0-4 0.974 16.82 85.7 79 95 94 95 124 12.6 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9670 1116.1 8.8 scans 85% TIC 0.17% 0.245% 2216 1.5 304 304546 0.265% 13903776 12554933 15001701 2-0 0.948 16.97 91.4 80 98 94 100 128 74.3 5.976 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0562 1119.8 10.3 scans 48% 91 m/z (106) 0.76% 0.0342% 2231 1.5 101 70091 1937117 1755432 8-3 9: 91 92 122 65 89 63 104 103 90 0.924 17.05 93.8 78 100 93 99 122 35.8 12.577 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0721 1162.7 9.6 scans 67% 73 m/z 0.58% 0.0646% 2403 1.7 151 91456 3660391 3476671 2-1 20: 73 355 267 356 268 357 249 269 191 74 179 323 325 208 223 358 154 170 253 75 0.901 18.13 -169.0 79 99 86 99 355 66.8 19.682 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7115 1189.7 8.5 scans 27% TIC 1.7% 0.00948% 2511 1.5 126 29682 537123 537123 0-0 0.861 18.71 138.9 73 96 86 97 153 6.7 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8520 1195.7 >3 scans 21% 69 m/z 1.9% 0.0221% 2535 0.3 130 27113 0.0826% 1251337 1191774 4676002 1-0 18: 69 42 108 56 55 39 72 68 99 40 70 151 74 129 122 127 86 125 0.760 18.83 143.0 60 84 82 94 122 6.5 0.249 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1004 ? Octanoic acid 18.8785 1196.8 >20 scans 77% 85 m/z 0.42% 0.300% 2540 0.1 254 124707 17028454 15636000 1-4 19: 85 60 69 73 55 41 97 101 87 57 88 43 45 108 39 42 98 86 74 0.899 19.87 128.5 76 95 83 98 144 0.0 0.000 -0.992 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1259 1207.3 8.4 scans 47% 82 m/z 1.0% 0.0209% 2582 1.5 89 51498 1185693 1053163 2-4 4: 82 81 39 54 0.833 19.12 150.2 77 100 80 98 97 15.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2516 1212.6 9.4 scans 14% 119 m/z 5.7% 0.00349% 2603 1.0 37 9208 197727 181558 4-1 4: 119 91 134 135 0.917 13.76 13.1 75 79 64 79 134 15.4 17.502 5.495 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8071 1236.0 8.1 scans 79% 57 m/z 0.18% 0.179% 2697 1.1 274 284305 10144315 9241155 6-5 20: 57 45 41 75 87 56 89 72 101 100 59 85 71 44 58 73 60 55 132 62 0.924 19.81 168.5 78 98 95 100 144 6.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1004 ?? Dodecane 20.3101 1257.3 10.2 scans 24% 57 m/z (67) 4.9% 0.00907% 2782 1.6 52 10834 513896 446984 2-4 7: 57 71 128 113 85 123 72 0.714 20.32 -0.4 68 83 72 80 170 7.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5267 1263.9 8.0 scans 71% 57 m/z 1.3% 0.0579% 2819 1.0 162 40771 3279673 2954095 4-2 19: 57 41 43 55 70 82 68 71 44 67 83 69 81 56 112 96 84 39 42 0.943 20.56 185.2 79 98 98 99 128 14.1 0.757 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9435 1276.4 10.1 scans 65% 94 m/z (137) 0.31% 0.0879% 2889 1.7 160 168318 4976150 4552130 3-3 7: 94 138 66 45 76 139 88 0.963 20.98 191.4 77 98 95 99 152 4.5 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9972 1278.0 8.9 scans 81% 137 m/z (94) 0.30% 0.255% 2898 0.9 303 173352 14442732 13098055 3-3 16: 137 152 109 123 81 67 91 41 79 93 119 55 39 107 53 153 0.983 21.00 192.7 63 86 80 85 155 0.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1779 1283.4 8.1 scans 19% 281 m/z 1.8% 0.00832% 2929 1.6 56 29391 471477 418915 1-6 14: 281 282 283 193 251 284 265 207 133 249 191 267 179 194 0.706 12.25 130.3 75 97 61 96 281 43.2 59.221 8.927 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1042 ? Phytol 21.2764 1286.4 >7 scans 53% TIC 3.8% 0.00771% 2946 1.9 88 13836 436947 403036 0-4 0.900 35.35 -11.0 75 79 81 78 196 0.0 0.000 -14.071 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9046 1335.3 8.5 scans 81% 43 m/z (85) 0.14% 0.314% 3221 1.0 332 363910 17781311 15444486 4-5 18: 43 69 109 86 71 41 110 127 128 67 95 39 58 42 170 111 93 40 0.990 22.91 221.7 76 98 97 98 127 45.0 1.846 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.0598 1339.9 >15 scans 66% 60 m/z 0.64% 0.0955% 3248 0.3 173 82918 5407242 4641126 2-3 20: 60 73 57 115 55 41 129 98 43 87 69 45 61 39 74 101 158 56 96 42 0.929 22.70 -135.4 75 95 89 98 158 12.8 0.000 0.364 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.0604 1339.9 >10 scans 63% TIC 0.71% 0.0473% 3248 0.4 170 74059 2678840 2524108 1-0 0.956 25.35 190.7 76 96 92 98 162 0.0 0.000 -2.294 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0858 1371.5 7.3 scans 78% 73 m/z 0.15% 0.218% 3422 1.0 323 343972 12354962 11809753 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 75 251 45 311 82 0.927 24.17 -152.3 79 99 89 99 429 97.5 9.107 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5309 1386.3 11.5 scans 53% 71 m/z (87) 0.83% 0.0626% 3497 0.9 134 64039 3547754 3247300 2-4 9: 71 43 85 41 56 112 128 156 197 0.905 24.54 249.0 74 99 92 98 169 13.5 1.013 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.5309 1386.3 11.5 scans 54% 71 m/z (87 74) 0.91% 0.0638% 3497 0.9 136 58442 3614207 3308125 2-4 9: 71 43 85 41 56 112 128 156 197 0.933 23.86 22.3 72 78 87 81 184 0.0 0.000 0.669 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6838 1391.5 8.6 scans 61% 43 m/z (117) 1.1% 0.0426% 3523 0.9 128 44964 2414832 2228966 0-2 20: 43 83 69 41 142 55 82 58 111 56 85 113 39 71 128 67 70 68 57 112 0.946 24.70 251.9 68 87 87 97 170 2.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1927 1408.4 7.6 scans 35% 43 m/z (141) 0.88% 0.0199% 3609 1.2 85 60139 0.0212% 1131287 980627 1200136 5-0 11: 43 103 145 116 115 86 74 113 127 104 153 0.673 25.24 -151.5 71 95 91 100 145 30.2 12.613 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4300 1416.4 13.9 scans 94% 84 m/z 0.0093% 4.64% 3649 0.5 1098 5682794 263086466 245958372 2-4 20: 84 133 162 161 119 42 92 118 85 130 82 65 134 117 51 39 63 77 163 55 0.998 25.89 259.4 78 97 96 97 162 293.7 7.154 -0.462 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN GLAU_R~1-N1080 ? Solanone 25.7812 1428.1 7.0 scans 60% TIC 0.54% 0.0353% 3709 1.1 165 98020 2003100 1972145 0-1 0.907 25.78 272.8 77 99 89 98 194 26.4 2.563 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0133 1435.9 8.6 scans 8.5% 145 m/z (43) 5.7% 0.00351% 3749 1.1 36 9284 198934 177091 3-6 2: 145 160 0.599 27.08 -186.9 61 91 58 92 160 16.5 20.422 -1.064 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4779 1451.4 7.9 scans 41% 189 m/z (73) 3.9% 0.0184% 3827 0.9 86 13618 1045150 953258 1-2 13: 189 204 91 107 145 161 205 175 147 103 148 119 129 0.820 45.98 -28.3 62 69 50 72 204 26.7 9.511 -19.497 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0906 1471.8 6.7 scans 43% 221 m/z 1.2% 0.0234% 3930 0.9 110 42922 1326081 1261200 2-1 18: 221 73 147 222 115 267 355 223 281 148 282 443 284 249 265 268 207 444 0.740 27.12 296.9 75 98 82 97 355 22.0 4.017 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 >9 scans 61% TIC 0.57% 0.0333% 3944 1.1 156 92546 0.0873% 1885810 1821456 4942070 1-0 0.936 27.21 -1.4 95 96 89 95 198 20.0 1.647 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1032 ?? Myosmine 27.9785 1504.7 19.4 scans 54% 118 m/z (175) 0.95% 0.0504% 4081 1.5 119 55960 0.0768% 2854557 2745715 4347663 1-0 13: 118 146 145 78 90 159 160 104 63 64 38 65 105 0.952 27.93 318.0 67 88 84 96 146 54.4 20.913 0.047 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3846 1520.0 8.7 scans 81% 80 m/z (71) 0.11% 0.225% 4150 0.9 293 466793 12746285 11970877 2-2 20: 80 171 104 53 78 170 172 91 77 84 51 65 103 105 89 63 115 168 50 167 0.974 28.39 326.6 78 99 98 100 171 128.1 19.157 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6579 1530.3 8.4 scans 72% 43 m/z (166) 0.13% 0.298% 4196 1.0 334 390719 0.311% 16880466 15203825 17605770 0-8 20: 43 69 41 107 151 136 67 93 125 109 53 83 121 39 68 108 81 161 194 133 0.960 28.67 332.9 76 99 96 99 194 22.9 0.468 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0930 1546.6 7.5 scans 74% 71 m/z 0.19% 0.282% 4270 1.1 377 271701 0.357% 16004916 15497839 20209839 1-0 20: 71 57 43 85 177 41 220 70 141 55 113 56 135 112 99 163 205 67 84 97 0.927 29.09 342.9 77 97 93 97 220 64.9 2.964 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5110 1562.3 7.2 scans 79% 73 m/z 0.099% 0.389% 4341 1.0 431 538090 22027417 20968092 2-2 20: 73 281 147 327 282 415 341 503 283 328 221 504 416 148 329 74 325 342 505 417 0.967 29.61 -150.8 79 99 95 99 503 74.6 3.001 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7731 1572.2 8.0 scans 80% 123 m/z 0.022% 0.741% 4385 0.9 569 2415744 41958150 39655229 1-2 20: 123 43 135 124 107 95 79 109 41 55 77 81 39 93 67 69 97 53 125 105 0.944 29.77 358.2 79 98 93 99 193 47.5 0.696 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9395 1578.5 8.8 scans 76% 71 m/z (72) 0.15% 0.366% 4413 0.8 347 352956 20758025 19090719 1-2 20: 71 85 57 43 99 113 127 41 69 55 70 155 84 56 83 112 111 126 86 42 0.964 30.38 -16.4 77 80 88 81 212 3.9 0.000 -0.437 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9395 1578.5 8.8 scans 78% 71 m/z (72 132) 0.15% 0.374% 4413 0.8 350 352997 21181990 19480630 1-2 20: 71 85 57 43 99 113 127 41 69 55 70 155 84 56 83 112 111 126 86 42 0.983 29.94 362.1 75 99 99 100 254 10.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5175 1600.8 8.5 scans 91% 191 m/z 0.011% 1.63% 4511 0.7 821 4561477 92780843 87266019 2-3 20: 191 206 192 57 163 175 74 91 41 115 107 77 147 73 128 161 133 105 121 193 0.995 30.50 376.0 81 100 99 100 206 222.6 7.353 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8416 1614.4 8.3 scans 29% 124 m/z (161) 1.3% 0.0278% 4566 0.9 104 40850 1574677 1435808 2-4 3: 124 137 180 0.861 30.81 385.0 66 86 82 96 180 27.2 6.862 0.035 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8894 1616.4 9.1 scans 32% 161 m/z 0.76% 0.0468% 4574 1.2 140 69629 2650259 2420282 2-2 19: 161 162 147 105 91 195 77 145 135 163 131 79 115 106 103 205 92 65 78 0.611 30.88 0.4 88 93 58 90 204 33.4 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9413 1618.6 9.0 scans 2.2% 171 m/z 10% 0.00161% 4583 1.4 24 4910 0.00258% 91363 85273 146054 3-0 2: 171 172 0.787 30.93 0.6 72 88 66 87 171 16.8 47.677 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2524 1631.7 11.7 scans 71% 111 m/z 0.042% 1.16% 4636 0.4 608 1259794 1.28% 66060775 61721931 72461048 2-0 20: 111 109 137 43 180 67 110 95 152 79 41 77 81 69 39 112 91 93 53 123 0.877 31.18 396.7 77 98 87 98 180 141.6 5.419 0.074 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5193 1642.9 11.9 scans 48% 57 m/z (165) 0.90% 0.0697% 4680 1.2 144 58690 3950698 3702901 1-0 20: 57 71 104 41 113 100 56 107 70 114 83 69 125 53 109 54 59 112 141 182 0.908 31.52 0.2 73 81 77 83 166 21.2 2.160 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7949 1654.5 8.9 scans 17% 193 m/z (153) 1.4% 0.0152% 4728 0.8 75 37998 865564 815539 2-2 4: 193 194 151 152 0.771 31.80 -0.0 67 73 30 80 208 17.1 5.157 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9154 1659.5 8.2 scans 50% 71 m/z (98) 1.0% 0.0719% 4748 0.6 155 50511 4070669 3811126 1-1 18: 71 57 85 43 55 69 41 113 99 70 126 111 127 112 155 97 56 141 0.864 31.92 -0.2 84 92 87 95 219 14.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0630 1665.7 6.7 scans 23% 221 m/z 1.0% 0.0236% 4773 1.0 109 49077 1339645 1199468 4-3 19: 221 73 147 207 222 341 223 355 295 296 281 325 267 148 208 343 74 342 297 0.879 32.08 -0.7 95 96 82 96 355 20.3 3.429 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2342 1672.9 9.2 scans 61% 57 m/z (157) 0.44% 0.139% 4802 1.5 206 118734 7890211 6964416 2-1 20: 57 43 71 85 149 105 41 56 183 99 55 77 70 113 182 42 100 69 162 97 0.949 32.24 -0.2 87 91 93 96 226 9.7 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4355 1681.4 10.6 scans 40% TIC 0.63% 0.0524% 4836 1.2 161 84402 2969858 2800151 1-1 0.696 32.44 -0.3 84 89 70 86 226 6.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6781 1691.6 8.9 scans 80% 205 m/z 0.42% 0.377% 4877 0.9 396 126569 21388573 20579868 1-2 20: 205 119 91 105 43 93 159 79 107 162 147 41 77 187 131 133 146 106 69 67 0.943 32.67 0.1 94 94 90 96 220 24.7 0.390 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8693 1699.6 8.3 scans 18% 70 m/z (149) 0.91% 0.0469% 4910 1.2 131 58140 0.0559% 2655696 2426286 3164510 2-0 5: 70 134 54 202 103 0.780 32.87 0.1 67 77 76 78 186 2.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9337 1702.3 7.9 scans 63% 71 m/z 0.055% 0.283% 4920 0.9 347 955606 16059124 14045852 7-6 15: 71 43 159 111 56 243 155 72 173 143 89 98 73 244 44 0.938 32.93 0.0 96 95 92 98 243 55.8 2.576 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0884 1708.8 6.7 scans 30% 83 m/z (216) 2.5% 0.0298% 4947 0.8 121 20835 1689159 1551713 2-1 19: 83 97 70 55 69 57 56 180 43 41 84 85 125 82 112 98 71 68 54 0.895 33.09 0.1 90 95 95 97 224 6.6 0.292 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.3 scans 66% 57 m/z (135) 0.31% 0.138% 4984 0.6 233 169682 7853913 7147351 2-1 18: 57 71 85 43 41 55 99 56 70 226 113 42 84 98 72 58 112 141 0.971 33.37 -2.7 91 95 95 96 226 27.3 1.377 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8936 1728.2 7.6 scans 33% 71 m/z (182) 1.2% 0.0358% 5083 1.1 128 42730 0.0386% 2027380 1927309 2185153 4-1 16: 71 57 43 70 85 197 99 196 127 113 141 56 98 72 54 42 0.795 33.90 -0.1 88 96 91 98 197 24.7 3.727 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2755 1733.7 8.2 scans 34% 57 m/z (173) 1.0% 0.0407% 5148 0.8 128 50622 2308899 2127281 1-1 20: 57 71 43 98 85 210 41 182 159 211 162 113 141 127 169 82 70 183 212 121 0.906 34.27 0.1 87 91 88 96 211 23.0 3.257 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4013 1735.5 12.6 scans 96% 355 m/z 0.010% 7.32% 5169 0.4 1456 5250844 414799595 398257869 2-1 20: 355 73 147 356 222 282 327 74 191 133 341 339 265 205 45 59 268 208 297 266 0.988 34.39 452.5 80 100 98 100 415 177.4 1.486 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9001 1742.6 21.5 scans 85% 91 m/z 0.021% 2.77% 5253 0.2 751 2436285 157231836 151377765 1-1 20: 91 155 199 65 90 184 44 89 92 120 137 63 106 39 77 156 51 64 134 107 0.988 34.79 453.6 80 99 97 99 199 216.9 8.336 0.114 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 35.4993 1751.2 >14 scans 32% TIC 1.2% 0.0416% 5355 1.6 156 43791 0.0651% 2358967 2184511 3685324 0-2 0.729 34.90 8.5 65 70 81 74 224 2.3 0.000 0.598 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7000 1754.1 8.7 scans 50% 123 m/z (70) 0.21% 0.142% 5389 1.1 230 243707 8092503 7522487 2-2 15: 123 193 124 125 109 105 175 195 194 131 149 165 121 210 167 0.966 35.70 451.4 74 96 94 97 224 16.5 0.515 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.1 scans 8.2% 209 m/z 1.5% 0.0110% 5643 1.1 72 35213 623621 604022 1-1 12: 209 224 181 165 210 179 115 194 178 225 89 166 0.598 37.20 449.2 69 94 54 92 224 28.8 16.116 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3045 1777.0 10.1 scans 58% 71 m/z (150) 0.50% 0.155% 5661 1.5 223 105317 8823417 7943006 1-2 19: 71 85 57 43 99 113 55 127 41 69 84 141 70 169 211 56 155 154 112 0.954 38.91 -23.0 80 86 94 86 254 3.4 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0578 1787.8 8.1 scans 60% 57 m/z 0.29% 0.116% 5789 1.0 244 179171 6614216 6283744 2-1 20: 57 71 85 43 56 41 225 99 55 113 224 69 127 141 98 83 70 155 226 239 0.903 38.06 448.1 76 98 91 97 225 45.9 3.537 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5837 1795.3 10.3 scans 82% 429 m/z 0.020% 4.53% 5878 0.5 1246 2546789 256702784 245329570 2-2 20: 429 341 281 356 401 267 282 74 283 327 325 459 432 475 265 133 205 131 415 249 0.855 38.59 447.2 80 99 78 99 429 401.8 10.410 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4486 1866.8 7.7 scans 35% 74 m/z 0.64% 0.0418% 6024 1.1 139 82731 2370793 2215898 2-4 16: 74 87 75 143 213 256 129 225 59 60 185 199 171 101 88 157 0.739 39.45 505.3 74 99 73 96 256 23.0 2.730 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.7880 1908.9 8.7 scans 93% 68 m/z 0.047% 2.21% 6081 0.6 946 1134129 125119016 117192045 1-2 20: 68 95 82 123 69 81 83 43 67 41 97 71 109 96 124 111 79 56 85 110 0.997 39.94 539.8 80 99 99 99 278 52.4 0.307 -0.148 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8913 1921.7 7.6 scans 66% 58 m/z 0.36% 0.155% 6099 1.2 279 146954 8791615 7912096 1-4 14: 58 43 71 59 109 55 95 41 110 124 81 56 82 250 0.939 39.88 553.4 78 99 95 97 250 29.5 1.121 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3111 1973.7 8.3 scans 47% 149 m/z (357) 0.12% 0.103% 6170 1.1 201 434134 0.107% 5873078 5414322 6057291 2-4 13: 149 150 223 104 76 167 205 65 132 121 224 50 122 0.940 40.31 598.8 74 98 80 98 223 45.8 5.199 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N406_R~1-N1110 Phytol 40.3972 1984.4 8.1 scans 84% 81 m/z (113) 0.13% 0.762% 6185 1.1 543 397313 43160484 39229990 2-4 20: 81 82 95 68 123 57 43 79 67 69 96 83 55 41 124 109 71 97 110 278 0.996 40.66 -32.8 93 97 98 97 278 61.8 1.295 -0.265 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6104 2010.8 7.0 scans 36% 221 m/z (197) 1.1% 0.0313% 6221 1.0 122 45402 1772490 1658560 2-2 20: 221 73 147 295 281 207 222 296 369 223 371 415 355 341 370 148 282 74 297 401 0.897 40.63 630.7 74 99 94 99 369 20.8 2.935 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1006 ?? Contamination 36.58min 40.6121 2011.0 7.2 scans 10% TIC 2.0% 0.00329% 6221 1.2 64 26195 186475 163154 0-7 0.271 36.58 694.5 66 93 25 89 369 20.5 10.311 4.033 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1254 Phytol 40.8530 2040.9 7.8 scans 78% 82 m/z (241) 0.34% 0.265% 6262 1.2 329 154550 15036499 14209917 1-4 18: 82 95 81 68 123 57 43 69 96 79 67 71 41 83 109 124 97 278 0.990 40.87 -1.8 96 98 99 99 278 42.9 1.695 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BQLD_R~1-N1056 ? Homosalate 40.9958 2058.6 8.2 scans 25% 138 m/z 1.2% 0.0307% 6286 1.1 118 43823 1743176 1609229 2-2 11: 138 109 120 121 124 92 65 93 139 262 76 0.738 41.00 672.8 73 98 74 97 262 17.5 2.213 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2479 2089.9 8.0 scans 79% 79 m/z (268) 0.16% 0.452% 6329 0.8 429 319164 25613592 23182079 2-1 20: 79 67 93 95 80 91 108 55 121 41 81 77 107 135 87 59 78 105 122 68 0.982 41.26 -1.1 96 98 97 99 264 31.0 0.521 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4486 2114.7 7.8 scans 62% 205 m/z (238) 0.49% 0.243% 6363 0.8 316 108278 13780080 12790590 2-2 16: 205 217 175 55 189 220 177 232 74 261 91 192 115 87 109 191 0.922 41.49 -81.9 81 99 93 98 276 20.4 0.414 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8394 2139.0 9.3 scans 45% 71 m/z (252) 1.6% 0.0681% 6430 0.9 152 31494 3857672 3375925 4-2 20: 71 70 43 84 85 55 125 69 99 56 141 81 111 98 140 113 107 126 42 183 0.862 41.48 20.0 62 68 79 72 268 3.7 0.000 0.356 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0213 2149.2 >9 scans 1.9% 91 m/z (74) 1.7% 0.0549% 6460 0.6 143 30648 0.0922% 3109681 2964288 5219460 2-0 20: 91 272 107 201 202 229 134 273 147 221 132 257 223 174 80 175 173 187 136 104 0.367 42.05 -1.4 81 95 67 91 272 21.7 2.289 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0614 2151.5 11.4 scans 94% 74 m/z 0.011% 5.11% 6467 0.4 1274 4728577 289369810 281252269 2-1 20: 74 87 143 43 227 55 270 75 41 69 57 239 129 83 185 171 59 199 97 101 0.985 42.01 749.5 79 99 98 99 272 34.2 0.000 0.050 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3235 2166.2 8.7 scans 85% 73 m/z 0.084% 0.566% 6511 1.1 469 632482 32088711 30066302 2-3 20: 73 147 281 221 355 429 503 341 207 504 430 356 222 415 148 283 74 295 505 431 0.975 42.37 757.2 75 92 95 99 503 78.4 2.798 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3648 2168.5 8.1 scans 7.4% 161 m/z (73) 4.9% 0.0155% 6518 1.3 80 10726 881333 814548 1-3 11: 161 77 107 257 105 91 136 79 93 120 122 0.684 42.40 -1.9 78 91 66 88 272 7.2 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.1500 2212.6 9.2 scans 35% 57 m/z (83) 0.99% 0.0463% 6651 1.1 122 53802 2622494 2363911 1-2 20: 57 85 71 43 56 253 41 69 113 111 169 72 70 183 112 86 42 227 58 54 0.749 43.94 -44.1 65 81 73 79 282 4.7 0.000 -0.786 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2922 2220.6 8.7 scans 47% 91 m/z (272) 3.2% 0.0439% 6675 1.0 129 16262 2490647 2311660 2-1 20: 91 105 93 131 119 79 77 143 107 145 133 117 158 81 157 106 121 159 115 129 0.858 43.31 -0.8 67 76 74 76 278 8.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2964 2277.4 7.1 scans 36% 221 m/z 1.8% 0.0164% 6845 1.2 91 28438 931286 861551 2-5 17: 221 73 147 295 369 281 296 207 223 297 283 208 355 148 370 356 222 0.835 44.32 830.1 73 98 86 98 369 17.9 3.834 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9776 2316.6 8.8 scans 41% 105 m/z (57) 3.4% 0.0522% 6961 0.8 133 15344 2955472 2578069 5-5 15: 105 91 131 145 119 133 171 143 134 270 132 157 77 227 93 0.824 44.99 856.2 71 96 81 99 270 20.3 2.329 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1234 ? Thunbergol 45.2297 2331.1 9.0 scans 27% TIC 0.98% 0.0474% 7003 1.5 129 53938 2686896 2335574 4-2 0.395 44.90 18.9 72 81 36 76 272 1.9 0.000 0.329 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4523 2344.0 8.4 scans 54% 81 m/z (170) 1.9% 0.0540% 7041 1.2 141 27313 3057431 2672858 3-2 19: 81 43 69 55 97 41 79 107 95 82 109 187 67 133 134 93 53 149 126 0.911 45.47 874.1 71 95 87 93 288 5.6 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7940 2363.6 7.8 scans 31% 73 m/z 0.92% 0.0386% 7099 1.1 131 57726 2186430 2063069 2-1 19: 73 355 147 221 281 341 267 357 207 282 429 503 222 402 148 74 415 399 401 0.831 45.78 1.0 95 97 78 95 503 13.4 1.049 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1026 Methyl stearate 45.9428 2372.2 >8 scans 80% TIC 0.063% 0.640% 7124 0.6 542 846141 1.64% 36237055 34283134 92840718 2-0 0.996 45.92 893.5 80 99 99 99 298 87.1 2.587 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1228 ?? C18:2-butanoate 45.9942 2375.1 15.9 scans 88% TIC 0.084% 1.05% 7133 1.0 684 629565 1.72% 60000089 58089602 97369534 0-1 0.978 46.00 -0.5 68 69 73 71 294 77.8 1.293 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1294 2382.9 9.1 scans 76% 79 m/z (74) 0.055% 1.43% 7156 0.8 723 954408 81194440 75588911 1-4 20: 79 67 95 93 108 80 81 91 107 94 77 121 135 78 109 149 122 105 136 66 0.976 46.13 -0.3 93 94 93 97 292 57.9 0.642 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN HCMIX_~1-N1022 ?? Henicosane 46.6205 2411.2 8.6 scans 29% 71 m/z (292) 6.3% 0.0103% 7239 0.9 63 8446 585794 526539 1-1 20: 71 85 57 169 43 55 70 83 69 111 97 141 41 84 112 98 86 125 197 137 0.774 46.28 19.5 64 80 80 76 296 0.0 0.000 0.339 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7669 2419.6 8.1 scans 87% 74 m/z 0.11% 0.360% 7264 0.9 394 481917 20390966 19204075 2-3 20: 74 87 43 143 75 55 298 41 255 57 69 83 97 129 59 101 88 267 71 199 0.971 46.76 924.5 79 99 98 99 298 71.7 3.317 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5072 2462.2 8.0 scans 43% 138 m/z (86) 2.3% 0.0194% 7389 0.9 90 22333 1103526 998276 2-2 6: 138 120 121 139 168 65 0.822 47.50 949.4 72 99 87 97 168 10.6 1.399 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9405 2544.7 8.1 scans 54% 73 m/z (131) 2.4% 0.0160% 7632 1.2 80 21797 911148 825256 2-5 20: 73 221 147 355 429 281 207 357 430 282 432 431 325 341 356 223 222 295 283 327 0.832 48.95 994.3 71 98 84 98 429 22.9 8.250 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9405 2544.7 8.1 scans 49% 73 m/z 2.4% 0.0136% 7632 1.2 76 21807 774509 701498 2-5 20: 73 221 147 355 429 281 207 357 430 282 432 431 325 341 356 223 222 295 283 327 0.761 51.86 913.8 71 93 69 91 503 6.5 0.734 -2.917 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3549 2626.1 7.9 scans 87% 74 m/z 0.24% 0.179% 7872 1.2 278 213738 10188371 9485096 2-5 20: 74 87 43 75 326 55 143 57 69 41 283 83 97 101 129 71 327 59 88 199 0.947 50.36 1039.1 78 99 96 99 326 53.5 3.712 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6319 2872.2 12.0 scans 26% TIC 8.2% 0.00229% 8596 1.2 34 6460 129816 129816 0-0 0.509 45.81 1395.7 66 94 52 90 503 5.6 2.690 8.820 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0606 770.0 9.4 scans 59% 77 m/z 0.12% 0.128% 30 3.1 189 426117 6594915 5859066 2-3 19: 77 55 45 78 79 62 76 59 56 83 75 63 47 61 92 85 46 53 39 0.755 4.37 16.0 98 99 96 100 77 161.9 73.095 -0.310 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5884 835.8 16.6 scans 71% TIC 0.63% 0.0383% 458 1.7 97 86341 1972185 1813452 1-2 0.870 6.53 -141.0 80 100 88 99 207 72.9 56.366 0.060 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6805 864.2 9.4 scans 61% 41 m/z (96) 0.67% 0.124% 642 1.8 181 80941 6411944 5695500 2-3 20: 41 69 55 83 39 42 57 80 56 43 38 54 40 79 68 58 67 37 84 65 0.701 7.71 8.9 95 99 83 97 98 61.2 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKSTART-N1002 ? Contamination 12.22min 12.2461 983.1 7.8 scans 12% 43 m/z 0.59% 0.0154% 1416 1.1 76 92727 794770 674957 4-6 11: 43 99 71 41 55 133 42 265 111 191 56 0.221 12.22 36.8 75 96 0 86 281 68.3 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6924 994.7 10.0 scans 89% 81 m/z (112) 0.15% 0.263% 1492 1.8 254 361780 13558141 12610714 2-2 19: 81 110 53 39 79 41 67 68 65 51 77 82 95 50 40 66 54 78 109 0.971 13.22 31.1 93 96 95 99 110 74.3 8.580 -0.530 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1022 ? Octanal 12.9445 1001.3 8.2 scans 66% 57 m/z (106) 1.9% 0.0567% 1534 1.6 136 27664 2917199 2611924 2-3 19: 57 56 84 41 44 55 69 82 42 68 85 100 67 39 95 83 54 80 66 0.984 12.96 -173.5 75 97 96 98 110 11.1 0.665 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1024 ? p-Cymene 13.7514 1023.2 >11 scans 27% TIC 3.9% 0.00293% 1671 0.0 38 13882 0.00544% 150793 146652 279764 1-0 0.683 13.76 -176.3 75 97 71 97 134 16.1 17.732 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0950 1032.5 11.5 scans 37% 108 m/z 2.1% 0.0183% 1730 2.0 72 25809 946027 875444 1-2 9: 108 79 89 90 50 62 42 80 63 0.700 14.11 53.5 86 96 69 95 108 38.7 28.499 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4646 1042.5 9.8 scans 92% TIC 0.041% 0.598% 1792 1.3 411 1315463 30767382 26999454 2-4 0.993 14.44 57.7 91 100 99 100 120 133.5 10.523 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0207 1057.6 >10 scans 37% 70 m/z 2.9% 0.0166% 1886 1.3 85 18485 855547 781958 1-1 18: 70 83 41 69 55 39 57 42 93 67 68 84 97 58 66 53 111 38 0.880 18.83 4.9 75 77 73 78 122 2.3 0.000 -3.809 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1002 ? IS d3-Acetophenone 15.1877 1062.1 10.1 scans 3.6% TIC 1.0% 0.0168% 1914 1.4 69 49990 865969 785765 4-1 0.052 15.17 64.7 73 92 5 86 123 107.3 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 15.2149 1062.8 12.6 scans 4.6% 122 m/z (71) 2.3% 0.0166% 1919 1.9 58 22912 857870 746406 4-3 2: 122 109 0.091 20.03 -7.9 74 86 18 85 122 37.5 41.323 -4.814 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN 98-86-2 ? Acetophenone 15.2639 1064.2 >11 scans 61% 105 m/z 0.32% 0.0838% 1925 999.0 162 167184 0.302% 4312633 4149504 15530991 0-1 13: 105 77 51 121 125 78 79 65 104 50 108 85 63 0.969 15.29 -181.5 74 93 92 96 120 32.0 3.903 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4398 1068.9 9.1 scans 64% 95 m/z 0.19% 0.193% 1957 1.7 248 287064 9961762 9349372 1-3 17: 95 81 124 43 79 109 53 39 65 82 96 66 67 51 77 63 50 0.884 15.43 67.2 88 100 90 100 124 76.0 9.346 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.2285 1090.3 8.7 scans 35% 132 m/z 4.1% 0.00743% 2090 1.1 54 13114 382231 359688 1-1 12: 132 117 133 118 91 92 89 103 148 116 102 124 0.790 16.25 -184.3 74 96 73 94 132 28.4 27.817 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1002 ? Undecane 16.6075 1100.9 7.9 scans 55% 71 m/z (58) 2.1% 0.0277% 2155 1.1 102 24994 1425382 1304856 1-1 20: 71 93 41 43 55 69 56 80 156 91 121 53 39 92 42 98 95 68 67 83 0.957 16.59 0.9 73 71 78 89 156 10.0 0.951 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1016 Nonanal 16.7934 1108.7 8.3 scans 90% 57 m/z 0.10% 0.731% 2186 1.1 504 505460 37620693 33775679 6-5 20: 57 41 56 43 55 98 70 44 82 69 68 81 95 96 67 42 39 71 54 83 0.983 16.82 86.3 82 98 98 99 124 33.6 0.445 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9723 1116.3 9.2 scans 71% TIC 0.40% 0.114% 2217 1.7 198 136747 5868984 5450709 1-3 0.924 16.97 91.6 79 98 92 98 128 49.2 6.202 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0579 1119.9 10.7 scans 23% 91 m/z (68) 2.7% 0.0122% 2231 1.6 55 19753 628368 557204 1-3 10: 91 122 92 109 99 134 89 93 104 62 0.704 17.05 93.9 65 86 83 95 122 18.2 10.838 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0951 1163.7 9.6 scans 65% 249 m/z 0.85% 0.0554% 2405 1.2 123 64328 2852455 2777292 1-1 12: 249 223 235 323 191 253 179 252 324 358 205 339 0.877 18.13 -168.0 79 99 83 98 355 55.7 20.532 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN M4942-N1002 ?? Pyranone 18.1772 1167.2 >17 scans 21% 44 m/z (43) 6.1% 0.00744% 2420 1.4 44 8907 382704 382704 0-0 5: 44 72 135 101 115 0.873 20.04 -223.3 64 89 68 88 144 23.4 28.113 -1.865 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2905 1172.0 8.8 scans 3.7% 281 m/z 7.1% 0.00255% 2440 1.3 29 7636 131465 125124 1-0 3: 281 282 283 0.582 12.25 18.9 73 87 26 85 281 17.0 33.940 6.039 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7155 1189.9 9.2 scans 14% 98 m/z (124) 2.2% 0.0446% 2512 0.9 114 23963 2297177 1977915 5-2 10: 98 111 125 107 100 110 112 95 140 126 0.923 18.71 139.1 73 97 92 98 153 4.5 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1266 ? Octanoic acid 19.4045 1219.0 >19 scans 69% 60 m/z 0.15% 0.997% 2629 0.1 424 357693 51292854 44424353 2-10 20: 60 69 85 55 41 97 73 101 87 57 43 88 115 45 83 108 56 82 39 98 0.754 22.03 -90.1 75 92 90 99 175 0.0 0.000 -2.630 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 19.4045 1219.0 >19 scans 70% 60 m/z (129) 0.15% 1.08% 2629 0.1 427 358583 55647634 48195995 2-10 20: 60 69 85 55 41 97 73 101 87 57 43 88 115 45 83 108 56 82 39 98 0.971 19.87 150.7 75 96 91 99 144 4.0 0.000 -0.467 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1012 ?? Nicotine 19.7197 1232.3 9.8 scans 4.3% 133 m/z 4.9% 0.00171% 2682 1.9 26 11148 88330 88330 0-0 3: 133 99 135 0.663 25.78 77.0 63 100 100 100 162 0.0 0.000 -6.058 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8189 1236.5 9.4 scans 75% TIC 0.11% 0.364% 2699 0.9 346 468265 18760946 16827590 3-6 0.822 19.81 169.0 76 98 91 99 144 10.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3153 1257.5 9.5 scans 22% 57 m/z (107) 5.8% 0.00671% 2783 1.3 45 9464 345256 312263 6-1 5: 57 71 85 56 170 0.762 20.32 -0.2 80 93 76 90 170 6.2 1.908 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5332 1264.1 8.0 scans 90% 57 m/z 0.30% 0.325% 2820 1.0 352 181945 16742446 15668018 4-2 20: 57 41 43 55 82 70 71 68 83 44 56 67 81 112 69 95 96 84 42 110 0.985 16.82 -27.3 70 71 83 73 124 2.5 0.000 3.718 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0031 1278.2 9.1 scans 78% 137 m/z (94) 0.35% 0.254% 2899 0.9 281 154177 13076297 11784429 3-3 15: 137 152 109 123 81 67 91 41 93 55 119 107 39 153 53 0.975 21.00 192.9 63 86 80 85 155 0.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4381 1291.3 7.3 scans 3.8% 282 m/z 12% 0.00190% 2974 1.3 29 4557 97782 85239 0-2 5: 282 73 117 265 283 0.512 21.56 -147.4 66 96 63 92 369 8.6 8.975 -0.120 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1042 ?? Phytol 22.5102 1323.4 8.1 scans 44% 43 m/z (66) 3.0% 0.0282% 3154 1.0 97 17976 1450415 1259861 1-5 20: 43 57 70 85 55 41 71 98 83 113 97 56 84 96 141 99 72 42 86 110 0.897 35.35 26.0 61 71 76 72 196 0.0 0.000 -12.837 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9004 1335.1 8.2 scans 64% 43 m/z (98) 0.32% 0.134% 3221 0.9 207 167703 6915757 6165233 3-4 7: 43 69 109 86 110 128 127 0.945 22.91 221.5 73 96 88 96 127 29.9 2.092 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.2882 1346.8 15.1 scans 76% 60 m/z 0.43% 0.212% 3286 0.2 220 127373 10929685 9999214 1-6 20: 60 73 57 41 129 115 55 43 87 69 56 42 61 39 45 74 101 97 83 158 0.959 22.70 -128.5 77 97 94 99 158 14.9 0.461 0.592 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1006 ?? Tridecane 23.8343 1363.2 10.8 scans 22% 57 m/z (99 135) 3.3% 0.0143% 3379 1.5 60 16384 739465 688482 1-1 7: 57 85 164 86 120 184 113 0.546 23.86 -0.8 66 83 57 80 184 8.2 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0887 1371.6 7.0 scans 65% 73 m/z 0.29% 0.121% 3422 1.0 230 187993 6231189 5834680 2-4 18: 73 341 429 325 147 343 430 342 431 74 326 207 82 327 344 68 45 148 0.806 24.17 -152.2 78 99 87 99 429 69.2 9.087 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6950 1391.8 9.3 scans 53% 43 m/z 0.95% 0.0454% 3525 0.9 128 57359 2337612 2072727 0-5 19: 43 83 55 41 82 85 56 113 127 71 108 67 93 68 151 81 100 42 40 0.792 24.70 252.2 70 95 83 96 170 5.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2050 1408.9 7.8 scans 31% 43 m/z (163) 1.4% 0.0139% 3611 0.7 68 37227 718871 608953 5-1 12: 43 103 145 116 115 57 85 86 61 44 127 184 0.922 25.24 -151.0 72 95 89 99 145 24.1 12.646 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4843 1418.2 19.1 scans 95% 84 m/z 0.0075% 9.22% 3659 0.3 1283 7249568 474278628 460456348 0-2 20: 84 133 162 161 119 42 92 118 130 65 78 51 63 91 39 163 77 55 120 105 0.992 25.89 261.2 79 98 97 98 162 353.1 7.578 -0.408 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.7865 1428.3 7.2 scans 56% 93 m/z (85) 0.79% 0.0484% 3710 1.0 140 69548 2491717 2305593 1-1 17: 93 136 121 43 91 79 77 81 94 123 194 107 108 95 195 92 122 0.950 25.78 273.0 74 97 93 98 194 20.8 2.200 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0864 1471.7 6.6 scans 45% 221 m/z 1.8% 0.0185% 3930 1.0 94 30083 951586 890079 2-2 20: 221 73 147 281 222 355 267 223 282 148 444 356 268 74 131 191 149 443 269 207 0.893 27.12 296.8 76 97 85 96 355 18.4 3.856 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1655 1474.3 8.9 scans 68% 57 m/z (170) 0.67% 0.0585% 3944 1.2 148 80926 0.125% 3009505 2804023 6428390 2-0 20: 57 71 85 43 41 56 55 99 70 198 42 112 84 98 113 127 141 39 69 83 0.971 27.21 -1.5 93 97 95 97 198 17.6 1.421 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9566 1503.9 8.2 scans 42% TIC 0.61% 0.0313% 4077 1.5 139 89855 0.0467% 1613329 1613329 2401647 0-0 0.692 27.93 317.2 73 98 80 98 146 64.1 21.352 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3857 1520.0 8.5 scans 85% 80 m/z 0.083% 0.305% 4150 1.0 334 655021 15725020 14928608 2-2 20: 80 171 104 53 78 170 172 91 77 81 51 103 65 84 39 79 105 63 52 83 0.974 28.39 326.6 79 98 96 98 171 146.2 19.191 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6532 1530.1 8.0 scans 79% 43 m/z (168) 0.15% 0.274% 4195 1.0 312 347453 0.285% 14136315 13074106 14656730 2-8 19: 43 69 41 151 107 136 67 125 93 109 83 53 39 68 81 133 108 79 77 0.969 28.67 332.7 78 100 97 99 194 20.4 0.428 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0882 1546.4 7.6 scans 76% 71 m/z (91) 0.21% 0.313% 4269 1.3 336 259654 0.356% 16135276 14818498 18308056 2-0 20: 71 57 43 85 41 177 70 55 113 141 56 99 112 220 84 183 135 69 97 205 0.978 29.09 342.7 72 94 95 97 220 35.8 1.132 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0882 1546.4 7.6 scans 63% 71 m/z 0.21% 0.227% 4269 1.3 305 256925 0.258% 11687334 10733546 13268198 2-0 20: 71 57 43 85 41 177 70 55 113 141 56 99 112 220 84 183 135 69 97 205 0.789 29.10 342.5 70 94 89 93 227 6.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5144 1562.5 6.9 scans 52% 73 m/z 0.30% 0.121% 4341 0.9 231 179393 6264099 5936067 4-2 20: 73 281 147 327 282 415 341 503 283 399 416 328 504 329 148 417 505 74 325 342 0.902 29.61 -150.6 79 99 87 98 503 41.3 3.209 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6549 1567.8 11.7 scans 29% 158 m/z (177) 0.056% 0.708% 4365 0.8 433 969740 36451900 35218312 1-2 20: 158 157 130 116 63 89 156 90 104 143 142 42 128 62 50 102 118 76 75 74 0.647 29.68 355.2 74 99 88 98 158 244.3 31.832 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6703 1568.3 8.6 scans 67% 177 m/z (190) 0.022% 1.42% 4368 0.6 683 2415897 73164737 67440288 3-1 17: 177 178 91 135 77 105 149 133 107 121 79 122 192 119 109 162 65 0.816 29.68 355.8 67 91 62 90 192 85.5 1.568 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7642 1571.9 7.9 scans 81% 123 m/z 0.037% 0.499% 4384 1.0 441 1481884 25677546 23980075 1-3 20: 123 43 135 124 107 95 79 91 109 41 55 77 39 53 81 69 97 67 93 125 0.973 29.77 357.9 79 99 97 99 193 36.4 0.682 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9365 1578.3 8.6 scans 74% 71 m/z (164) 0.26% 0.230% 4413 0.9 265 209732 11846468 11168868 1-1 19: 71 85 57 43 99 113 41 127 69 155 55 84 70 56 83 86 42 112 126 0.987 29.94 361.9 77 99 98 100 254 6.9 0.067 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.3208 1592.8 7.9 scans 53% 57 m/z (168) 0.57% 0.0984% 4478 1.5 177 96229 5065373 4313994 1-4 19: 57 71 43 85 41 55 56 70 99 212 42 179 98 197 113 83 151 112 72 0.934 30.38 -2.1 79 77 90 96 212 20.3 1.319 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5021 1600.2 8.0 scans 86% 191 m/z 0.034% 0.554% 4508 1.1 465 1582077 28524415 27250483 1-2 20: 191 206 192 57 163 74 175 91 115 41 107 73 77 88 147 161 105 133 117 60 0.980 30.50 375.4 80 99 97 99 206 124.8 7.200 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN N406_R~1-N1098 ?? Olivetol 30.8238 1613.7 8.5 scans 35% 124 m/z (71) 1.2% 0.0327% 4563 1.0 104 43319 1681860 1536404 3-6 6: 124 137 180 125 138 54 0.943 30.81 384.3 69 93 84 93 180 29.3 7.892 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8746 1615.8 9.4 scans 57% 162 m/z (124) 0.52% 0.0950% 4572 1.2 170 104926 4885868 4502069 2-2 19: 162 147 161 163 148 91 77 119 51 115 50 65 103 145 79 105 131 165 132 0.853 30.88 -0.2 89 93 71 94 204 16.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9348 1618.3 8.5 scans 7.9% 172 m/z (127) 5.2% 0.00459% 4582 1.3 39 10438 0.00660% 236479 216552 339419 4-0 3: 172 171 173 0.875 30.93 0.3 85 91 76 90 171 25.3 42.512 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2223 1630.4 10.9 scans 83% TIC 0.066% 0.899% 4631 0.6 507 825238 0.998% 46248161 41106760 51324268 3-3 0.955 31.18 395.4 78 98 96 98 180 110.2 4.723 0.044 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5086 1642.5 9.9 scans 46% TIC 0.69% 0.0376% 4679 1.2 132 79358 1936336 1773928 1-2 0.761 31.52 -0.2 93 96 77 93 166 28.7 4.703 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7914 1654.3 8.7 scans 19% 193 m/z (150) 2.3% 0.0134% 4727 0.8 67 22970 693267 655640 1-3 4: 193 208 175 209 0.564 31.80 -0.2 67 80 41 83 208 13.3 3.970 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9200 1659.7 8.1 scans 38% 83 m/z (135) 2.0% 0.0369% 4748 0.8 111 27336 1900615 1731713 1-1 8: 83 82 55 70 155 112 126 210 0.890 31.92 0.0 78 83 89 86 219 2.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0800 1666.5 6.8 scans 41% 221 m/z (180) 1.0% 0.0338% 4776 1.1 120 54242 1743173 1635299 3-3 19: 221 73 147 207 295 222 341 355 223 326 325 281 267 148 296 74 342 356 279 0.910 32.08 0.1 96 99 92 99 355 21.5 3.202 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2288 1672.7 9.2 scans 57% 57 m/z (80) 0.82% 0.0804% 4801 1.3 150 66740 4137108 3440109 1-4 19: 57 71 43 85 41 149 183 105 56 113 55 99 77 70 97 159 182 155 42 0.934 32.24 -0.4 92 98 95 98 226 7.3 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4354 1681.4 8.2 scans 50% 57 m/z 0.54% 0.0693% 4836 1.0 176 100224 3567073 3271970 1-3 20: 57 85 71 43 56 41 197 55 196 99 113 69 127 70 83 141 42 111 169 72 0.810 32.44 -0.3 91 94 79 92 226 7.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6709 1691.3 9.0 scans 59% TIC 1.3% 0.0951% 4876 0.9 204 40453 0.125% 4894383 4635485 6428390 0-2 0.837 32.67 -0.2 93 94 77 94 220 13.7 0.451 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8634 1699.4 8.4 scans 13% 70 m/z (149) 1.3% 0.0268% 4909 1.2 92 40995 0.0366% 1380896 1267365 1882233 3-0 6: 70 216 52 131 168 201 0.706 32.87 -0.1 61 73 55 76 186 3.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9313 1702.2 7.8 scans 70% 71 m/z 0.059% 0.301% 4920 0.9 343 916681 15514717 14187216 7-1 14: 71 43 159 111 56 243 83 72 155 173 143 98 89 73 0.939 32.93 -0.1 93 92 84 98 243 51.9 2.287 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0830 1708.6 7.5 scans 61% TIC 0.81% 0.0792% 4946 1.3 215 67282 4074770 3706734 1-1 0.950 33.09 -0.1 93 95 96 96 224 13.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3091 1718.1 7.7 scans 82% 57 m/z (59) 0.12% 0.376% 4984 0.8 373 438422 19357082 18284563 4-1 20: 57 71 43 85 41 55 99 56 70 113 69 226 84 42 98 83 127 72 141 58 0.985 33.37 -2.7 97 99 99 99 226 41.4 1.229 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2719 1733.7 8.1 scans 47% 57 m/z (173) 0.69% 0.0594% 5147 0.9 147 79179 3056020 2861222 1-1 17: 57 71 85 43 211 98 210 41 99 113 56 127 183 181 70 141 58 0.934 34.27 0.1 92 97 93 97 211 28.4 3.728 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3776 1735.2 7.2 scans 53% 73 m/z 0.53% 0.0724% 5165 1.0 175 102916 3726799 3504144 2-2 20: 73 355 147 221 281 356 401 357 282 222 415 148 74 283 403 358 267 328 385 327 0.906 34.39 452.2 79 99 88 98 415 22.0 1.582 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7920 1741.1 12.8 scans 85% 91 m/z 0.040% 1.22% 5235 0.3 544 1351545 63254389 61360603 1-1 20: 91 155 199 90 65 184 89 44 92 120 137 63 106 77 39 200 64 51 134 156 0.974 34.79 452.1 80 99 97 99 199 155.2 8.129 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9036 1742.7 7.9 scans 40% 68 m/z (212) 0.65% 0.105% 5254 1.2 189 84246 5425045 4869781 2-2 3: 68 69 224 0.818 34.90 -0.0 88 93 88 99 224 25.4 1.809 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 34.9390 1743.2 14.0 scans 37% 71 m/z (68) 1.0% 0.122% 5260 0.6 161 53394 6278316 5758569 2-1 17: 71 85 43 82 197 196 141 83 113 99 86 161 204 94 76 195 100 0.857 33.90 14.9 67 76 75 88 197 25.2 0.000 1.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9355 1757.5 8.9 scans 9.7% TIC 0.76% 0.0344% 5429 1.3 124 71921 1771909 1644137 1-2 0.156 35.94 451.1 66 91 24 88 238 4.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5536 1766.3 7.0 scans 23% 221 m/z (57) 0.76% 0.0575% 5534 0.9 153 71809 2959057 2720141 5-3 14: 221 73 147 295 222 281 369 341 296 327 297 148 355 356 0.721 36.58 449.8 72 97 67 97 369 24.5 2.557 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2501 1776.3 10.2 scans 91% 209 m/z 0.011% 4.03% 5652 0.4 1109 4896104 207385338 195934427 3-2 20: 209 224 181 165 167 210 178 105 166 179 194 103 225 77 91 193 119 97 182 89 0.988 37.20 450.0 80 99 98 99 224 349.4 9.915 0.050 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0601 1787.8 7.9 scans 71% 57 m/z (101) 0.15% 0.348% 5789 0.9 356 365533 17937478 16351374 3-2 19: 57 71 85 43 56 41 225 99 55 224 113 127 69 70 141 83 98 155 42 0.986 38.06 448.1 76 97 98 99 225 69.9 3.852 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5984 1795.5 7.4 scans 29% 73 m/z 0.76% 0.0464% 5880 1.0 138 72219 2388216 2191393 2-4 20: 73 429 221 147 355 430 281 341 356 207 401 74 267 282 342 325 222 432 431 357 0.837 38.59 447.4 76 98 81 97 429 44.1 10.227 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8187 1798.7 11.0 scans 59% 57 m/z (127) 0.19% 0.320% 5917 1.1 294 279860 16464835 15173469 1-6 17: 57 71 85 41 55 99 113 69 84 70 42 141 72 86 169 197 183 0.969 38.91 -1.3 88 93 94 94 254 24.3 0.683 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1018 ? Neophytadiene 39.7650 1906.0 7.4 scans 82% 68 m/z 0.15% 0.618% 6078 0.8 519 364274 31828536 29216728 1-2 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.976 39.94 536.9 79 99 97 99 278 28.1 0.293 -0.171 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8883 1921.3 7.9 scans 60% 58 m/z 0.31% 0.213% 6099 0.9 304 177264 10983802 10284275 1-5 9: 58 43 59 109 95 110 124 250 82 0.926 39.88 553.0 77 99 94 97 250 32.9 1.167 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3128 1973.9 8.1 scans 74% 149 m/z 0.028% 0.529% 6170 0.9 449 1913338 27210709 25473265 2-2 18: 149 150 223 104 76 167 56 205 65 93 121 105 132 151 39 224 50 77 0.980 40.31 599.0 79 98 97 98 223 94.7 4.443 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN N406_R~1-N1110 ? Phytol 40.3895 1983.4 >9 scans 20% TIC 0.68% 0.0194% 6183 1.4 159 79827 0.0643% 1000402 1000402 3306764 0-0 0.552 40.66 -33.8 78 85 45 82 278 26.5 2.792 -0.272 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6026 2009.9 7.2 scans 30% 221 m/z (203) 1.0% 0.0398% 6219 0.9 127 50423 2051696 1897831 1-3 19: 221 73 147 295 281 207 222 369 148 296 223 297 355 415 189 342 74 265 279 0.875 40.63 629.8 73 97 94 99 369 21.3 2.840 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1254 Phytol 40.8464 2040.1 8.8 scans 32% 95 m/z (239) 0.90% 0.0929% 6261 1.3 169 60713 4781050 4393195 2-1 16: 95 82 81 123 68 79 278 96 67 124 109 53 107 93 94 137 0.610 40.87 -2.6 90 97 60 97 278 27.3 2.607 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BQLD_R~1-N1056 Homosalate 41.0005 2059.2 8.3 scans 72% 138 m/z 0.13% 0.425% 6287 0.9 411 414277 21888485 20077842 2-2 20: 138 109 120 69 121 124 83 139 65 82 55 41 262 92 81 93 68 67 39 125 0.965 41.00 673.4 80 99 98 100 262 54.3 1.751 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2366 2088.5 7.7 scans 43% 79 m/z (196) 1.1% 0.0905% 6327 1.1 186 45894 4658745 4497319 1-1 16: 79 93 67 80 95 91 121 108 94 81 77 107 87 82 134 59 0.925 41.26 -2.5 87 92 89 93 264 10.9 0.348 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1018 ? Nonadecane 41.3972 2108.4 13.8 scans 19% 71 m/z (96) 0.97% 0.0683% 6354 2.2 124 56472 3516492 3159504 3-1 20: 71 43 85 58 59 113 112 144 127 263 254 72 268 210 126 99 42 100 239 259 0.703 41.48 -10.6 76 91 75 86 268 10.7 0.738 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4350 2113.0 8.2 scans 51% 205 m/z 0.47% 0.198% 6360 0.8 275 115690 10195930 9709943 3-1 17: 205 175 217 189 220 177 232 91 261 191 203 192 161 206 109 178 115 0.801 41.49 -83.6 82 98 77 97 276 20.0 0.528 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0123 2148.7 8.3 scans 88% 74 m/z 0.026% 1.69% 6458 0.7 791 2087901 87319934 82669952 2-2 20: 74 87 143 43 55 75 227 270 41 69 129 239 59 97 185 88 171 199 241 42 0.967 42.01 746.7 80 99 97 99 272 20.0 0.064 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3512 2167.7 7.3 scans 23% 73 m/z 1.2% 0.0266% 6515 1.0 105 43622 1368994 1277869 2-3 18: 73 147 281 355 429 295 503 341 207 356 430 461 283 431 75 222 343 325 0.780 42.37 758.7 70 95 77 94 503 19.7 3.502 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8495 2251.8 8.0 scans 60% 71 m/z (205) 0.63% 0.108% 6769 1.2 195 86492 5604732 5095012 2-4 17: 71 57 85 43 127 267 55 99 41 239 126 113 84 70 268 56 141 0.973 43.94 -4.9 63 61 87 84 282 9.4 0.000 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2886 2277.0 6.8 scans 20% 221 m/z (275 256) 4.0% 0.00978% 6844 1.1 64 13432 503269 454164 1-1 19: 221 73 147 222 148 295 207 282 223 281 355 267 296 341 297 370 74 369 371 0.773 44.32 829.7 68 97 87 98 369 11.4 3.204 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7881 2363.3 7.7 scans 34% 73 m/z 1.5% 0.0246% 7098 1.2 99 34971 1266156 1153644 2-1 20: 73 355 147 221 281 357 207 148 429 282 222 356 461 295 430 415 342 74 358 283 0.808 45.78 0.7 93 95 76 93 503 10.1 1.055 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9127 2370.4 8.0 scans 81% 74 m/z 0.077% 0.572% 7119 1.2 464 705193 29465946 27649791 1-4 19: 74 87 43 143 255 75 55 298 41 57 69 199 83 97 129 101 88 59 56 0.954 45.92 891.7 79 99 95 99 298 79.3 2.915 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0962 2381.0 8.1 scans 77% 79 m/z (222) 0.39% 0.228% 7150 1.1 283 138591 11764836 10773009 2-5 19: 79 95 93 67 108 80 81 91 41 94 107 77 121 135 59 78 109 149 122 0.967 46.13 -2.2 95 97 97 99 292 21.2 0.562 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN GLAU_R~1-N1084 ?? Pentadecane 46.6151 2410.9 8.6 scans 20% 71 m/z 3.9% 0.00616% 7238 1.0 59 14014 316776 286381 1-0 20: 71 57 85 99 43 127 197 113 83 70 141 109 155 112 111 153 72 84 124 56 0.527 24.54 1273.6 63 94 64 91 169 9.5 0.000 22.073 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN HCMIX_~1-N1022 ?? Henicosane 46.6151 2410.9 8.6 scans 34% 71 m/z (68) 3.6% 0.0179% 7238 1.0 77 14959 923705 835073 1-0 20: 71 57 85 99 43 127 197 113 83 70 141 109 155 112 111 153 72 84 124 56 0.867 46.28 19.2 65 77 76 74 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7562 2419.0 7.7 scans 71% 74 m/z 0.30% 0.127% 7262 1.1 227 182413 6577097 6201154 2-4 19: 74 87 143 43 75 55 255 298 41 69 199 83 299 129 88 59 101 97 267 0.903 46.76 923.9 79 99 90 98 298 43.0 3.585 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4947 2461.5 8.0 scans 57% 138 m/z (281) 1.2% 0.0397% 7387 1.2 120 43397 2046111 1858588 3-5 12: 138 120 121 139 70 111 92 98 65 93 126 307 0.928 47.50 948.7 76 99 94 98 168 13.9 1.350 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9304 2544.1 7.7 scans 52% 73 m/z (43) 2.6% 0.0159% 7631 1.0 77 20665 822256 781306 2-4 17: 73 429 147 221 355 431 430 281 295 356 357 341 415 222 503 296 282 0.827 48.95 993.7 72 99 85 98 429 22.2 8.345 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3496 2625.8 7.8 scans 86% 74 m/z 0.31% 0.161% 7871 1.2 248 174789 8322923 7821552 2-4 20: 74 87 43 143 75 55 326 57 69 41 283 83 97 71 129 88 59 101 199 227 0.927 50.36 1038.8 78 99 94 99 326 47.8 3.728 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8431 2711.7 8.0 scans 33% 73 m/z 4.5% 0.00612% 8124 1.4 48 12058 314824 292758 2-6 14: 73 147 221 281 355 429 503 431 74 282 295 356 223 504 0.569 51.86 1080.8 68 92 54 89 503 9.0 3.541 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6153 2871.2 9.7 scans 35% TIC 5.6% 0.00485% 8593 1.5 45 9782 249792 233529 5-0 0.587 45.81 1394.7 66 93 58 90 503 7.2 2.492 8.803 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0996 771.0 5.2 scans 83% 77 m/z (55) 0.070% 0.161% 36 3.4 258 803852 0.165% 8150426 7247998 8329411 0-7 17: 77 45 78 79 62 76 59 75 63 47 61 46 92 60 58 64 49 0.989 4.37 17.0 99 100 99 100 77 220.3 72.832 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5920 835.9 17.2 scans 72% 207 m/z 0.63% 0.0513% 458 2.8 97 89323 2590670 2341373 1-3 18: 207 208 191 96 161 133 165 192 209 115 82 210 103 134 89 178 72 67 0.882 6.53 -140.9 80 100 87 99 207 73.4 57.375 0.064 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6806 864.2 10.2 scans 40% TIC 0.81% 0.0744% 643 1.9 139 70171 3756208 3489645 1-3 0.433 7.71 8.9 90 97 47 91 98 75.1 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 10.9327 948.9 11.7 scans 11% TIC 3.3% 0.00415% 1194 0.3 38 16928 209680 191771 1-6 0.218 6.03 -12.7 61 87 67 84 102 1.8 0.000 4.900 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2355 982.8 10.5 scans 59% 281 m/z (95) 0.70% 0.0708% 1414 2.2 124 80751 3575997 2995261 2-5 20: 281 43 282 283 71 108 191 41 69 193 265 267 55 111 133 179 72 68 266 207 0.756 12.22 36.5 90 96 58 99 281 69.8 31.903 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6830 994.5 9.9 scans 88% 81 m/z (112) 0.23% 0.178% 1490 1.9 207 245903 8994556 8223050 2-2 19: 81 110 53 39 67 41 79 68 65 77 82 51 95 50 66 40 54 38 109 0.991 13.22 30.9 93 96 97 100 110 60.7 8.609 -0.539 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9380 1001.1 8.3 scans 52% 57 m/z 2.2% 0.0349% 1533 1.7 112 25510 1765986 1661137 1-4 16: 57 56 84 44 41 55 69 82 68 85 42 100 67 39 95 54 0.838 12.96 -173.7 61 84 72 82 110 4.1 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1024 ? p-Cymene 13.7344 1022.7 8.5 scans 29% 119 m/z (109) 4.6% 0.00467% 1668 1.6 37 12290 235766 199869 3-5 4: 119 91 117 134 0.753 13.76 -176.8 72 97 73 96 134 14.9 16.582 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1016 ?? Limonene 13.9103 1027.5 9.2 scans 26% TIC 2.9% 0.0138% 1698 1.3 73 18980 697476 647060 1-1 0.387 13.89 52.2 67 91 53 89 136 14.6 3.972 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0945 1032.5 10.7 scans 57% 79 m/z (82) 2.4% 0.0261% 1729 1.9 79 22896 1319458 1179663 2-2 14: 79 108 107 77 91 51 90 50 65 78 80 89 38 64 0.937 14.11 53.5 87 98 94 98 108 35.9 20.872 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4593 1042.4 9.9 scans 90% TIC 0.047% 0.580% 1791 1.4 388 1194058 29314756 25630061 5-4 0.993 14.44 57.6 91 100 99 100 120 126.6 10.672 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1825 1061.9 11.2 scans 88% 105 m/z 0.091% 0.469% 1913 1.9 323 621676 23715913 21954643 2-2 20: 105 77 123 51 46 106 50 78 74 124 76 75 79 52 53 64 73 40 62 39 0.986 15.17 64.5 89 99 98 99 123 116.2 12.961 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN 98-86-2 ?? Acetophenone 15.2740 1064.4 10.3 scans 27% 120 m/z (122) 1.0% 0.0355% 1929 1.4 100 56451 1794192 1517743 1-2 10: 120 107 43 140 125 81 63 106 89 37 0.942 15.29 -181.3 67 86 81 97 120 36.6 13.375 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4363 1068.8 8.9 scans 50% 95 m/z 0.32% 0.0986% 1957 1.7 171 174522 4982080 4416128 2-3 16: 95 81 124 79 43 109 53 39 66 82 96 51 67 125 62 50 0.743 15.43 67.1 87 99 72 98 124 59.7 12.183 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2126 1089.9 8.7 scans 36% 132 m/z 4.6% 0.00697% 2088 1.6 50 12300 352294 331508 1-2 11: 132 117 115 91 92 131 99 116 118 65 128 0.768 16.25 -184.7 74 97 74 96 132 27.3 29.841 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1002 ?? Undecane 16.6081 1100.9 8.5 scans 25% 57 m/z 2.6% 0.0106% 2155 1.1 64 21522 539897 516075 1-1 18: 57 71 41 93 55 85 56 69 70 96 77 127 126 156 83 42 136 53 0.423 16.59 0.9 67 93 42 88 156 9.8 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1016 Nonanal 16.7905 1108.6 8.3 scans 91% 57 m/z 0.13% 0.657% 2186 1.0 468 435242 33206617 29652064 6-5 20: 57 41 56 55 43 98 70 82 44 69 68 95 81 96 67 39 42 71 54 83 0.990 16.82 86.2 82 98 98 99 124 31.6 0.455 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9688 1116.1 8.9 scans 62% 71 m/z 0.71% 0.0595% 2216 1.2 144 79292 3007963 2738422 2-5 19: 71 95 110 43 58 128 41 85 55 84 57 72 69 70 68 113 111 96 42 0.893 16.97 91.4 79 98 91 98 128 37.4 6.761 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0668 1120.3 9.7 scans 26% 122 m/z (87) 2.8% 0.0107% 2232 1.3 52 19958 542953 484939 5-1 5: 122 120 92 134 135 0.766 17.05 94.3 73 99 86 98 122 19.0 13.470 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0745 1162.8 >18 scans 62% TIC 0.68% 0.0689% 2403 2.3 134 83217 0.0928% 3480568 3480568 4684663 0-0 0.947 18.13 -168.9 79 99 90 99 355 57.0 18.056 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN M4942-N1002 ? Pyranone 18.1530 1166.2 10.8 scans 23% 144 m/z (97) 2.5% 0.0224% 2416 1.5 75 22219 1132990 1087263 1-3 4: 144 44 72 145 0.892 20.04 -224.3 70 94 85 93 144 34.1 20.536 -1.889 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7056 1189.5 9.0 scans 6.9% 98 m/z (124) 4.6% 0.0237% 2512 0.9 81 12327 1197813 1002109 8-1 8: 98 111 125 107 91 66 80 96 0.866 18.71 138.7 69 96 86 97 153 2.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8301 1194.8 24.8 scans 27% TIC 0.96% 0.0513% 2531 1.3 191 58616 0.132% 2590283 2590283 6663529 0-0 0.918 18.83 142.1 67 85 87 99 122 12.8 0.452 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1004 ? Octanoic acid 19.1625 1208.8 >20 scans 85% 60 m/z 0.25% 0.667% 2588 0.1 338 225189 33713232 31176871 1-8 20: 60 69 85 55 41 73 97 57 101 43 87 115 45 39 88 83 98 42 56 108 0.960 19.87 140.5 77 95 88 99 144 3.0 0.000 -0.709 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.4671 1221.7 >9 scans 63% TIC 0.73% 0.0423% 2639 999.0 130 77144 0.152% 2136543 2078803 7673154 0-1 0.958 20.03 151.0 73 92 89 95 122 62.3 22.870 -0.562 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8189 1236.5 8.8 scans 77% 57 m/z 0.26% 0.160% 2699 1.2 233 217361 8093602 7365243 1-5 19: 57 45 41 75 87 56 89 72 100 59 101 85 44 58 55 60 73 62 61 0.929 19.81 169.0 78 98 93 100 144 5.8 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1004 ? Dodecane 20.3119 1257.4 11.3 scans 26% 57 m/z (128) 6.7% 0.00826% 2782 1.9 46 8394 417124 361663 7-1 4: 57 71 170 99 0.750 20.32 -0.3 77 94 79 91 170 4.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 20.3119 1257.4 11.3 scans 22% 57 m/z (91 128) 7.0% 0.00719% 2782 1.9 43 8025 363172 314884 7-1 4: 57 71 170 99 0.638 33.32 -9.6 63 81 66 84 226 0.0 0.000 -13.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5291 1264.0 8.2 scans 83% TIC 0.52% 0.193% 2819 0.9 261 108919 9778249 8774381 3-3 0.949 20.56 185.3 78 97 97 99 128 23.4 0.807 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1034 ? Decanal 20.5291 1264.0 8.1 scans 83% 57 m/z (110) 0.53% 0.200% 2819 1.1 260 106510 10126292 9196711 5-3 19: 57 41 55 43 82 70 71 68 44 83 81 56 112 67 69 96 84 42 39 0.967 20.57 -143.0 75 96 97 99 138 14.5 0.312 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9512 1276.6 10.9 scans 52% 94 m/z (137) 0.39% 0.0864% 2891 1.9 140 143685 4364882 4053178 8-2 4: 94 138 66 51 0.876 20.98 191.6 74 96 93 99 152 5.1 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9990 1278.1 9.1 scans 72% 137 m/z (94) 0.53% 0.168% 2899 1.0 225 106432 8527102 7925146 3-2 13: 137 152 109 123 81 67 91 93 41 119 107 153 110 0.945 21.00 192.8 62 85 77 84 155 1.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1979 1284.0 8.4 scans 2.9% 281 m/z 1.8% 0.0105% 2933 1.7 57 30790 533311 468833 2-5 12: 281 282 283 265 249 193 284 133 266 191 267 194 0.632 12.25 130.9 74 97 63 96 281 43.1 58.118 8.947 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9005 1335.1 8.5 scans 49% 109 m/z (85) 0.49% 0.0898% 3221 1.0 166 113861 4537529 3990704 4-5 8: 109 69 86 110 128 188 173 170 0.802 22.91 221.5 70 95 81 94 127 24.9 2.237 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.2936 1346.9 >24 scans 85% 101 m/z 0.24% 0.506% 3287 0.4 298 232382 25593228 25031500 0-1 10: 101 70 68 58 117 100 44 75 72 125 0.975 22.70 -128.4 77 96 93 99 158 21.5 0.518 0.598 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0841 1371.4 7.1 scans 61% 341 m/z 0.32% 0.118% 3421 1.1 219 175782 5959818 5473208 2-6 18: 341 73 429 342 325 147 343 430 431 326 327 207 74 82 344 251 267 311 0.794 24.17 -152.4 78 98 89 98 429 68.7 9.872 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6803 1391.3 8.8 scans 57% 43 m/z 1.1% 0.0381% 3522 1.0 121 49131 1927124 1839029 1-2 19: 43 83 69 41 55 142 82 58 56 113 85 67 70 71 39 68 100 42 111 0.847 24.70 251.7 69 90 77 96 170 4.6 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1006 ?? Tridecane 24.8639 1397.5 12.3 scans 34% 85 m/z (98) 4.2% 0.0158% 3553 1.8 62 13444 800248 717527 1-1 7: 85 71 57 99 70 101 72 0.847 23.86 33.5 69 83 80 83 184 3.2 0.000 1.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1992 1408.7 7.2 scans 35% 43 m/z 0.99% 0.0147% 3610 1.0 78 57062 742747 616006 10-1 12: 43 103 145 116 115 86 117 104 74 61 146 155 0.912 25.24 -151.2 75 98 90 97 145 30.5 15.199 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4424 1416.8 >9 scans 48% 121 m/z 0.036% 1.43% 3652 0.2 702 1540386 2.84% 72504984 69983085 143366834 1-0 10: 121 160 106 59 177 101 164 56 153 155 0.689 25.89 259.8 79 98 82 98 162 214.9 9.376 -0.450 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7842 1428.2 7.7 scans 64% 93 m/z (85) 0.60% 0.0722% 3709 1.1 163 94116 3646813 3460588 1-1 15: 93 121 136 43 91 79 194 77 94 123 81 107 108 67 137 0.945 25.78 272.9 75 97 95 99 194 24.9 2.333 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1036 ?? trans-2,8-p-Mentha-dien-1-ol 25.9330 1433.2 9.2 scans 6.2% 93 m/z 5.8% 0.00701% 3734 1.4 51 9696 353984 339676 1-1 10: 93 79 137 96 119 94 109 92 149 123 0.313 21.15 7.5 64 66 33 71 152 3.2 0.000 4.779 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0847 1471.6 6.7 scans 51% 221 m/z 1.2% 0.0275% 3930 1.0 110 46017 1392737 1306342 1-2 19: 221 73 147 281 267 222 355 282 443 356 149 283 268 148 445 74 223 323 339 0.841 27.12 296.7 77 97 80 96 355 22.3 4.156 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1674 1474.4 8.5 scans 69% 57 m/z (129) 0.74% 0.0645% 3944 1.3 148 76722 0.118% 3256656 3021742 5956791 2-0 18: 57 71 85 43 41 55 56 70 99 42 84 98 113 198 126 127 83 155 0.980 27.21 -1.4 95 98 96 97 198 16.8 1.290 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1032 ? Myosmine 28.0021 1505.6 10.9 scans 62% 118 m/z (131) 0.53% 0.0982% 4085 1.3 156 107190 4958193 4511557 2-5 11: 118 146 145 78 51 63 64 42 90 89 62 0.958 27.93 318.9 75 97 94 96 146 69.8 19.958 0.071 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3840 1520.0 8.8 scans 80% 80 m/z (177) 0.15% 0.198% 4150 0.9 252 371355 10007832 9335836 3-2 20: 80 171 104 53 78 170 172 91 77 81 51 103 65 105 79 39 52 168 63 62 0.988 28.39 326.6 77 99 98 99 171 111.3 19.458 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6544 1530.1 7.9 scans 76% 43 m/z (164) 0.19% 0.246% 4196 1.0 292 288759 12437901 11251144 7-11 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 81 39 68 79 108 77 82 0.983 28.67 332.7 77 99 98 99 194 18.7 0.411 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0889 1546.5 7.6 scans 76% 71 m/z (166) 0.20% 0.352% 4269 1.2 353 271122 0.421% 17781151 17003279 21252619 1-0 20: 71 57 43 85 177 41 70 55 141 113 220 56 99 112 135 84 149 97 183 69 0.948 29.09 342.8 74 96 93 99 220 48.5 1.886 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0889 1546.5 7.6 scans 61% 71 m/z 0.20% 0.242% 4269 1.2 314 278399 0.290% 12261361 11724962 14639571 1-0 20: 71 57 43 85 177 41 70 55 141 113 220 56 99 112 135 84 149 97 183 69 0.763 29.10 342.6 71 96 90 95 227 5.7 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5133 1562.4 7.2 scans 60% 73 m/z 0.21% 0.208% 4341 1.1 292 267718 10526436 9911951 3-2 20: 73 281 147 327 282 415 341 503 283 399 221 328 504 416 148 505 74 417 325 342 0.941 29.61 -150.7 78 98 91 98 503 52.1 3.180 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1034 ?? Contamination 29.52min 29.5234 1562.8 10.0 scans 0.82% TIC 4.7% 0.00382% 4343 1.1 35 12087 192909 174977 2-1 0.015 29.52 352.7 61 96 1 86 503 49.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6656 1568.2 8.7 scans 63% 177 m/z (190) 0.035% 0.944% 4367 0.6 553 1597182 47703562 45193648 2-1 17: 177 178 91 135 77 105 149 107 79 133 192 122 119 109 162 131 65 0.785 29.68 355.7 70 93 61 93 192 69.4 1.573 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7595 1571.7 7.9 scans 69% 123 m/z 0.066% 0.272% 4383 0.9 321 858698 13740933 12548172 1-4 16: 123 135 124 107 95 79 109 91 77 39 81 93 53 67 193 125 0.940 29.77 357.7 79 99 93 98 193 27.3 0.724 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9384 1578.4 8.6 scans 77% 71 m/z (196) 0.17% 0.365% 4413 0.8 324 324113 18461884 17079401 1-3 20: 71 85 57 43 99 113 41 69 55 127 70 155 84 56 83 169 42 112 126 86 0.977 29.94 362.0 77 99 98 99 254 9.3 0.083 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3215 1592.8 8.3 scans 47% 57 m/z (153) 0.59% 0.102% 4477 2.1 168 95137 5181219 4656450 0-1 19: 57 71 43 85 41 212 56 55 99 70 42 84 98 126 113 121 179 83 58 0.903 30.38 -2.1 83 90 92 92 212 22.2 0.000 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5045 1600.3 8.3 scans 84% 191 m/z 0.036% 0.578% 4509 1.2 454 1564906 29194216 27159443 2-2 20: 191 192 57 206 163 74 175 91 115 41 107 207 73 77 88 147 161 133 105 117 0.975 30.50 375.5 80 99 97 99 206 124.0 7.455 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8180 1613.4 8.3 scans 28% 124 m/z (71) 2.2% 0.0211% 4562 1.1 84 24955 1068461 989640 1-3 5: 124 137 180 138 59 0.938 30.81 384.0 66 89 76 93 180 21.3 6.396 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8823 1616.1 9.2 scans 58% 162 m/z (111) 0.66% 0.0864% 4573 1.1 160 85076 4363451 3974762 2-2 19: 162 147 161 105 148 163 104 77 134 119 65 115 51 145 133 106 103 204 50 0.942 30.88 0.1 89 92 84 94 204 16.8 1.096 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9372 1618.4 20.2 scans 4.0% 171 m/z (111) 8.5% 0.00296% 4582 1.5 28 6670 0.00463% 149803 140839 233728 2-0 7: 171 172 173 128 179 130 156 0.592 30.93 0.4 78 92 70 91 171 20.1 51.366 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2123 1630.0 10.0 scans 68% 111 m/z 0.095% 0.539% 4629 0.7 401 593812 27213237 24750273 3-2 20: 111 109 137 180 67 110 43 124 95 152 79 77 81 39 41 112 91 93 94 53 0.857 31.18 395.0 76 98 84 97 180 96.9 5.841 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN GLAU_R~1-N1084 ?? Pentadecane 31.3186 1634.5 >9 scans 63% TIC 0.33% 0.162% 4647 1.7 242 169621 8205407 6989053 1-3 0.813 24.54 497.2 69 92 90 92 169 35.6 2.155 6.777 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5104 1642.5 9.8 scans 63% 43 m/z (165) 0.64% 0.0930% 4679 1.3 167 88314 4697659 4499343 1-1 19: 43 111 71 85 166 55 41 82 127 68 83 69 105 39 107 126 185 58 81 0.934 31.52 -0.2 92 95 93 96 166 30.0 3.250 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7902 1654.3 8.6 scans 13% 193 m/z (57) 3.1% 0.00956% 4727 1.0 56 18043 482734 472936 5-0 3: 193 152 194 0.609 31.80 -0.2 64 72 29 82 208 11.1 3.967 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9195 1659.7 8.0 scans 49% 83 m/z (143) 1.4% 0.0693% 4748 0.6 149 39832 3502359 3316003 2-1 13: 83 85 82 55 69 99 70 113 97 155 125 111 127 0.941 31.92 0.0 76 78 90 86 219 3.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0718 1666.1 6.6 scans 69% 221 m/z (83) 0.26% 0.135% 4774 1.2 239 213120 6854287 6478621 2-3 20: 221 73 147 222 295 207 355 341 223 296 281 325 148 267 356 297 74 342 208 191 0.970 32.08 -0.3 96 97 95 99 355 41.4 3.004 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.9 scans 65% 57 m/z (157) 0.60% 0.121% 4802 1.3 184 94127 6142701 5788723 1-1 19: 57 71 43 85 41 99 183 56 55 113 182 70 149 42 211 69 141 83 184 0.952 32.24 -0.2 92 97 96 97 226 8.5 0.214 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4390 1681.6 9.0 scans 62% 57 m/z (119) 0.55% 0.117% 4837 0.9 191 102256 5911645 5618989 1-1 19: 57 85 71 56 43 41 197 55 99 113 127 141 196 98 70 83 198 114 111 0.962 32.44 -0.1 92 96 95 96 226 6.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6740 1691.4 9.1 scans 56% TIC 1.6% 0.0772% 4876 1.0 186 33765 0.125% 3900328 3557571 6310160 1-2 0.864 32.67 -0.1 92 95 80 94 220 12.1 0.421 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 7.7 scans 71% 71 m/z 0.056% 0.344% 4920 0.9 362 1014594 17393679 15746077 7-2 13: 71 43 159 111 243 56 155 72 173 143 98 89 73 0.950 32.93 0.0 95 94 87 99 243 57.2 2.501 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0854 1708.7 7.4 scans 58% 83 m/z (231) 1.0% 0.100% 4946 1.0 195 53874 0.101% 5048816 4745129 5098609 3-1 20: 83 55 97 69 70 57 41 43 56 111 84 82 71 98 85 112 67 54 68 125 0.956 33.09 0.0 92 92 96 99 224 12.6 0.420 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3097 1718.1 7.3 scans 80% 57 m/z (59) 0.14% 0.320% 4984 0.9 348 385936 0.373% 16174536 15466588 18829517 0-1 19: 57 71 85 43 41 99 55 56 70 113 226 84 69 42 98 112 127 141 72 0.988 33.37 -2.7 97 99 99 99 226 40.3 1.341 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2726 1733.7 7.9 scans 43% 57 m/z (173) 0.78% 0.0643% 5147 0.9 147 72868 3245955 2905205 1-2 19: 57 71 85 43 211 98 41 56 182 113 127 72 210 183 141 212 70 58 39 0.934 34.27 0.1 91 95 91 97 211 27.9 3.590 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3729 1735.1 7.2 scans 71% 73 m/z 0.23% 0.200% 5164 1.0 284 243485 10137341 9598097 2-2 20: 73 355 221 147 281 356 401 357 282 402 222 327 74 283 403 207 267 148 358 385 0.945 34.39 452.1 80 100 93 99 415 35.2 1.531 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8239 1741.6 15.5 scans 85% 91 m/z 0.037% 1.61% 5241 0.2 577 1514989 81746555 75195949 1-2 20: 91 155 199 90 65 184 92 89 44 137 63 106 77 39 156 64 51 134 109 78 0.984 34.79 452.6 80 99 97 99 199 167.2 8.413 0.038 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9036 1742.7 7.5 scans 36% 68 m/z (225) 0.79% 0.0841% 5254 1.1 176 71124 4249842 4007557 2-3 1: 68 0.860 34.90 -0.0 89 95 87 99 224 23.4 1.775 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 34.9432 1743.3 13.1 scans 39% 71 m/z (68) 0.95% 0.132% 5261 0.5 173 59391 6665995 6099374 2-1 18: 71 57 85 43 197 196 141 83 127 113 140 204 165 114 245 220 72 168 0.881 33.90 15.0 69 76 81 90 197 26.2 0.000 1.047 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3529 1749.1 8.0 scans 54% 43 m/z (113) 0.56% 0.190% 5330 0.9 259 100868 9608667 9045597 4-1 20: 43 126 55 69 56 95 41 81 70 111 83 82 196 112 137 96 67 109 97 110 0.946 35.35 451.7 73 94 97 99 196 23.9 0.856 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9385 1757.5 9.1 scans 52% 91 m/z (85) 0.34% 0.279% 5430 1.2 284 164176 14084739 12548267 2-3 13: 91 155 97 83 65 92 44 82 148 187 220 39 89 0.928 35.94 451.1 60 86 78 86 238 8.5 0.089 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5394 1766.1 7.2 scans 38% 221 m/z 0.22% 0.207% 5531 1.0 291 250761 10467815 9822064 2-3 20: 221 73 147 207 295 222 281 369 223 341 296 148 208 297 327 355 370 282 74 283 0.929 36.58 449.6 77 98 91 98 369 46.4 2.546 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2579 1776.4 10.6 scans 91% 209 m/z 0.010% 4.63% 5653 0.4 1148 5306003 234169118 222101806 2-2 20: 209 224 181 167 165 210 178 105 166 225 103 194 77 91 193 152 115 119 97 117 0.989 37.20 450.1 80 99 98 99 224 362.1 9.954 0.058 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3075 1777.1 9.7 scans 47% 85 m/z (209) 0.48% 0.187% 5661 1.2 234 118008 9450499 8812163 1-1 11: 85 71 57 99 113 56 69 70 72 42 197 0.930 38.91 -22.9 75 83 90 84 254 8.1 0.000 -1.603 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0590 1787.8 8.3 scans 67% 57 m/z (171) 0.20% 0.291% 5789 1.0 315 284053 14728224 13891445 2-1 20: 57 71 85 43 56 225 41 99 55 224 113 69 127 141 70 83 98 155 169 58 0.981 38.06 448.1 76 97 98 99 225 63.1 4.001 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5920 1795.5 7.5 scans 51% 73 m/z 0.33% 0.128% 5879 1.0 224 167995 6467643 6129920 2-3 20: 73 429 147 221 355 430 341 281 431 356 207 401 357 222 148 74 342 282 325 295 0.923 38.59 447.4 78 98 89 97 429 68.6 9.402 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.7786 1907.7 7.9 scans 90% 68 m/z 0.073% 1.49% 6080 0.6 761 769210 75501857 72106942 1-1 20: 68 95 82 123 69 57 81 55 83 43 67 41 97 71 96 124 111 79 110 56 0.995 39.94 538.6 80 99 99 99 278 42.3 0.309 -0.157 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8896 1921.4 7.4 scans 57% 58 m/z 0.35% 0.187% 6099 1.0 285 159738 9449435 8595858 1-6 8: 58 43 59 109 95 110 124 250 0.910 39.88 553.1 76 98 92 97 250 31.2 1.200 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3134 1974.0 8.0 scans 59% 149 m/z 0.049% 0.282% 6170 0.9 324 1140567 14278025 13656336 1-1 16: 149 150 223 104 76 167 205 65 132 93 105 121 50 39 224 122 0.895 40.31 599.1 78 98 85 98 223 73.2 5.087 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN N406_R~1-N1110 Phytol 40.3890 1983.4 8.1 scans 35% 81 m/z (238 356) 0.51% 0.159% 6183 1.5 221 109476 8034386 7264993 8-3 12: 81 82 95 123 124 79 96 278 110 53 137 94 0.692 40.66 -33.8 81 93 68 92 278 29.1 1.728 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5891 2008.2 7.6 scans 53% 221 m/z 0.37% 0.123% 6218 1.0 219 149751 6227660 5849168 2-2 20: 221 73 147 295 281 207 222 369 296 223 282 148 355 297 370 283 401 74 341 208 0.949 40.63 628.1 75 94 94 99 369 37.4 2.919 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1254 Phytol 40.8477 2040.2 8.5 scans 33% 81 m/z (83) 0.95% 0.0984% 6261 1.5 174 59660 4969824 4429626 2-2 17: 81 95 82 123 68 79 278 96 67 124 109 53 94 134 179 77 80 0.867 40.87 -2.5 80 85 64 85 278 28.9 2.770 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BQLD_R~1-N1056 Homosalate 41.0065 2059.9 8.3 scans 77% 138 m/z 0.10% 0.559% 6288 0.8 461 539687 28251998 26935343 1-2 20: 138 109 120 69 121 124 83 139 82 65 55 41 262 92 81 93 95 68 67 39 0.967 41.00 674.1 80 99 97 100 262 62.2 1.826 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2420 2089.1 8.0 scans 55% 79 m/z (191) 0.81% 0.145% 6328 0.9 224 69353 7364423 6712950 2-1 18: 79 67 93 95 80 108 121 91 81 77 94 107 59 135 87 78 122 53 0.958 41.26 -1.9 91 94 93 96 264 13.9 0.386 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1018 ? Nonadecane 41.3967 2108.3 15.4 scans 24% 71 m/z (194) 0.96% 0.0888% 6354 2.5 134 59060 4486248 4034545 3-0 20: 71 58 85 59 72 239 246 99 196 182 86 224 127 155 168 112 254 197 113 100 0.740 41.48 -10.7 73 89 81 86 268 10.5 0.000 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4416 2113.9 8.2 scans 59% 205 m/z 0.38% 0.277% 6361 0.9 319 147139 14009317 13373963 3-1 17: 205 217 175 189 220 177 232 91 261 203 191 233 218 109 161 206 192 0.860 41.49 -82.7 83 99 86 98 276 22.6 0.504 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0213 2149.2 8.5 scans 89% 74 m/z 0.022% 2.13% 6460 0.6 870 2519216 107985419 102471171 2-2 20: 74 87 143 43 55 75 227 270 41 69 57 129 83 185 59 171 97 101 199 241 0.963 42.01 747.2 79 99 96 99 272 23.4 0.072 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3365 2166.9 7.4 scans 45% 73 m/z (238) 0.61% 0.0743% 6513 1.1 168 92831 3754485 3489409 2-3 20: 73 147 281 221 355 429 503 207 341 282 430 504 356 148 222 283 205 415 505 74 0.907 42.37 757.9 73 96 94 98 503 29.3 3.045 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2905 2220.5 8.3 scans 17% 238 m/z (240) 10% 0.0160% 6674 0.9 71 5643 809418 714316 2-2 13: 238 91 105 215 122 77 53 147 173 189 93 145 131 0.712 43.31 -0.9 65 78 60 77 278 6.9 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8513 2251.9 8.2 scans 56% 71 m/z (205) 0.71% 0.105% 6770 1.2 186 79685 5345521 4785643 1-3 18: 71 57 85 43 127 267 55 41 99 126 113 239 84 268 97 197 141 56 0.953 43.94 -4.8 64 64 87 86 282 9.0 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7864 2363.2 8.0 scans 41% 73 m/z 0.98% 0.0494% 7098 0.9 135 57876 2497727 2299831 2-1 17: 73 355 147 221 281 356 357 207 429 369 282 222 148 295 74 503 223 0.779 45.78 0.6 96 97 83 96 503 13.2 0.955 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1026 Methyl stearate 45.9174 2370.7 8.9 scans 86% TIC 0.087% 0.553% 7120 1.0 458 652705 0.768% 27943023 26829956 38769623 1-0 0.986 45.92 892.0 80 99 98 99 298 77.6 2.868 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1046 2381.5 8.5 scans 76% 79 m/z (84) 0.23% 0.407% 7152 1.0 361 243839 20548409 18568312 1-5 19: 79 95 93 67 108 80 81 91 41 107 94 77 121 135 78 149 109 136 59 0.970 46.13 -1.7 94 96 95 98 292 28.3 0.615 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1022 ?? Henicosane 46.6146 2410.8 8.3 scans 34% 57 m/z (81) 3.6% 0.0179% 7238 0.9 79 15477 906164 852597 1-2 20: 57 71 85 155 99 43 113 211 112 141 127 69 70 55 41 83 96 183 100 56 0.862 46.28 19.1 67 79 77 76 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7575 2419.1 7.9 scans 71% 74 m/z 0.28% 0.149% 7262 1.0 240 199884 7542776 6778821 2-4 20: 74 87 143 75 43 55 298 255 41 199 69 57 83 129 59 97 101 88 267 213 0.914 46.76 924.0 78 99 90 98 298 46.3 3.730 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5013 2461.9 7.9 scans 42% 138 m/z (237) 2.3% 0.0229% 7388 1.0 89 24629 1156384 1044325 3-4 13: 138 120 121 139 70 92 65 306 98 93 168 140 122 0.834 47.50 949.1 73 99 89 98 168 10.9 1.505 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6743 2471.9 7.7 scans 28% TIC 3.8% 0.00429% 7417 1.4 62 14939 216809 210887 0-1 0.762 44.32 1024.6 69 97 74 96 369 15.5 6.239 3.354 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN HCMIX_~1-N1024 ?? Docosane 48.4582 2517.0 >21 scans 22% 55 m/z (295) 7.9% 0.00981% 7551 0.4 43 7150 495277 465631 0-1 9: 55 57 85 56 84 128 83 155 122 0.569 48.53 -4.0 63 80 61 73 310 0.0 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9234 2543.7 7.8 scans 66% 73 m/z (105) 1.2% 0.0410% 7629 1.1 119 44753 2074033 1903729 2-6 20: 73 147 221 429 355 356 281 430 222 207 341 74 282 267 431 148 358 401 268 283 0.860 48.95 993.3 70 95 89 99 429 33.8 8.070 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3520 2625.9 8.0 scans 81% 74 m/z 0.37% 0.139% 7871 1.0 225 151529 7050951 6639126 2-4 20: 74 87 43 143 326 75 55 57 69 283 41 83 97 88 129 71 199 59 185 227 0.897 50.36 1038.9 77 99 92 98 326 45.4 4.051 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8390 2711.5 8.6 scans 57% 73 m/z 1.9% 0.0250% 8123 1.4 91 29397 1264043 1171758 2-4 20: 73 147 221 429 355 281 430 207 503 431 222 369 295 282 357 356 205 223 504 296 0.756 51.86 1080.6 76 99 77 96 503 14.3 2.473 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0926 770.8 5.3 scans 79% 77 m/z (55) 0.075% 0.177% 35 3.2 262 669257 0.193% 6837131 6073093 7431958 0-7 14: 77 45 78 79 62 76 59 63 75 47 46 92 64 80 0.994 4.37 16.8 99 100 100 100 77 223.8 72.822 -0.278 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.1581 824.6 8.4 scans 51% 57 m/z (69) 2.6% 0.00889% 385 0.5 51 19387 0.0178% 342449 304689 685434 3-1 7: 57 41 59 39 87 102 58 0.918 6.03 -137.0 74 98 92 97 102 6.7 1.703 0.125 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5908 835.8 16.8 scans 74% 207 m/z 0.67% 0.0572% 458 2.8 99 75206 2204190 1974502 2-2 18: 207 208 96 209 133 192 177 119 147 161 178 134 89 163 149 39 73 176 0.867 6.53 -141.0 80 100 87 99 207 75.0 57.039 0.063 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6741 864.0 10.5 scans 39% TIC 1.0% 0.0738% 642 2.0 134 48945 2844709 2451570 2-4 0.451 7.71 8.7 81 87 46 83 98 76.6 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8920 999.9 10.1 scans 23% TIC 0.79% 0.0209% 1525 2.3 79 63746 808561 714937 1-3 0.325 12.22 53.6 81 100 56 98 281 69.1 77.132 0.672 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2976 1010.9 9.4 scans 88% 81 m/z 0.17% 0.231% 1594 1.8 246 282553 8896188 8373322 1-3 20: 81 110 53 39 67 79 41 68 77 65 51 82 95 66 50 40 55 54 109 52 0.973 13.22 47.3 91 96 95 99 110 72.2 8.659 0.076 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1022 ? Octanal 13.5278 1017.1 7.9 scans 62% 57 m/z (71) 3.6% 0.0376% 1633 1.5 106 13932 1449125 1282382 1-5 13: 57 84 56 44 41 55 69 42 68 85 82 100 58 0.953 12.96 -157.7 72 95 92 98 110 9.9 0.873 0.573 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.2527 1036.8 >7 scans 36% TIC 4.1% 0.00230% 1756 0.9 45 12160 88657 83393 1-0 0.832 13.76 -162.7 74 97 81 96 134 17.6 15.469 0.496 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.4157 1041.2 8.4 scans 73% 68 m/z (57) 1.1% 0.104% 1783 1.3 176 43208 4023522 3749426 1-5 19: 68 93 124 67 123 53 43 121 136 79 92 81 107 95 91 80 50 94 65 0.905 13.89 65.9 64 69 78 97 136 29.1 2.743 0.524 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5798 1045.6 9.9 scans 42% 108 m/z (91) 3.0% 0.0207% 1811 1.8 72 16458 800262 717126 2-2 13: 108 79 107 77 51 90 99 78 80 50 58 89 110 0.875 14.11 66.6 82 97 90 97 108 33.1 21.337 0.471 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9139 1054.7 9.8 scans 87% TIC 0.057% 0.553% 1868 1.3 371 879319 21313116 17950132 5-6 0.992 14.44 69.9 88 100 99 100 120 119.8 10.397 0.472 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.4316 1068.7 >12 scans 24% 83 m/z (43) 3.7% 0.0337% 1956 0.9 87 13595 0.0613% 1300919 1178737 2360513 4-0 12: 83 41 84 93 69 79 67 102 108 75 91 38 0.846 18.83 16.0 65 73 65 77 122 1.9 0.000 -3.398 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5845 1072.8 10.4 scans 81% 105 m/z 0.12% 0.348% 1982 1.8 286 406700 13420430 12414889 3-2 20: 105 77 123 51 46 106 50 78 74 124 76 75 52 94 79 49 62 38 53 63 0.951 15.17 75.4 86 99 95 99 123 104.3 13.266 0.415 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8106 1079.0 8.5 scans 60% TIC 0.28% 0.138% 2020 1.7 213 174998 5314862 4686364 2-3 0.753 15.43 77.3 75 92 79 99 124 65.8 9.549 0.378 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.5497 1099.0 8.2 scans 37% 132 m/z 3.9% 0.00901% 2145 1.2 56 12605 347180 327985 2-1 14: 132 117 115 92 118 91 131 99 116 89 63 102 64 128 0.751 16.25 -175.6 74 97 71 95 132 30.7 29.752 0.296 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.9080 1113.6 7.8 scans 42% 57 m/z (267) 3.4% 0.0198% 2205 1.1 81 14732 763019 692569 1-2 16: 57 71 93 41 85 121 56 156 112 99 80 84 98 96 39 127 0.889 16.59 13.6 71 73 78 91 156 9.7 0.000 0.321 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0739 1120.6 8.3 scans 90% 57 m/z (139) 0.20% 0.537% 2234 1.1 398 251237 20683489 18159683 5-5 20: 57 41 56 55 98 43 44 70 82 69 68 95 81 96 67 39 42 71 54 114 0.996 16.82 -170.8 78 100 99 99 124 25.7 0.419 0.259 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0739 1120.6 8.3 scans 88% 57 m/z 0.19% 0.488% 2234 1.1 392 253180 18808681 16513640 5-5 20: 57 41 56 55 98 43 44 70 82 69 68 95 81 96 67 39 42 71 54 114 0.974 16.82 98.2 79 98 96 98 124 26.0 0.442 0.259 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2628 1128.5 8.9 scans 63% TIC 0.59% 0.0881% 2266 1.7 167 85144 3392640 3220062 1-2 0.831 16.97 103.8 77 99 89 98 128 43.0 6.611 0.295 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3466 1132.1 9.0 scans 22% 91 m/z (79) 3.2% 0.00954% 2280 1.2 51 15516 0.00971% 367600 312482 373908 6-4 6: 91 92 119 93 89 117 0.793 17.05 106.1 71 97 87 96 122 18.6 13.402 0.295 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2782 1171.4 >12 scans 53% TIC 0.60% 0.0725% 2438 0.8 139 83009 2792180 2387825 3-1 0.927 18.13 -160.3 79 99 91 99 355 52.9 14.464 0.147 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN M4942-N1002 ? Pyranone 18.3815 1175.8 12.4 scans 28% 144 m/z 1.2% 0.0566% 2455 1.6 111 39451 2181073 1924327 6-2 4: 144 44 72 37 0.929 20.04 -214.7 71 91 79 91 144 53.5 23.161 -1.660 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.3898 1176.2 >12 scans 34% TIC 1.0% 0.0225% 2457 0.9 121 45909 867717 840613 1-0 0.874 18.22 132.7 76 98 86 97 144 52.8 18.896 0.169 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9246 1198.8 >10 scans 8.1% 98 m/z (78) 3.4% 0.0352% 2547 0.9 98 14508 1357296 1220836 3-0 16: 98 111 107 79 129 67 100 69 99 70 91 124 95 80 96 71 0.880 18.71 148.0 70 95 89 97 153 2.0 0.000 0.219 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN 98-86-2 ?? Acetophenone 19.1885 1209.9 32.8 scans 1.2% 101 m/z 4.4% 0.00432% 2592 0.0 46 11412 0.00978% 166567 149274 376604 3-0 8: 101 105 102 126 144 117 109 38 0.324 15.29 -35.8 65 86 63 84 120 6.3 0.000 3.895 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1266 ? Octanoic acid 19.5114 1223.5 >21 scans 88% 60 m/z 0.17% 1.18% 2647 0.1 430 285598 45605967 41914601 1-5 20: 60 85 69 73 55 41 101 97 57 43 115 87 39 88 45 83 42 108 82 56 0.992 22.03 -85.6 78 91 93 98 175 0.0 0.000 -2.523 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1004 ? Octanoic acid 19.5114 1223.5 >21 scans 87% 60 m/z (133) 0.17% 1.27% 2647 0.1 429 285210 48928012 44967758 1-5 20: 60 85 69 73 55 41 101 97 57 43 115 87 39 88 45 83 42 108 82 56 0.994 19.87 155.2 75 96 92 100 144 0.0 0.000 -0.360 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.7888 1235.3 11.6 scans 64% 105 m/z 0.39% 0.124% 2694 0.2 181 126875 4796883 4388692 1-3 20: 105 122 77 51 50 76 106 74 78 43 123 39 75 52 83 37 53 94 65 49 0.950 20.03 164.6 76 96 94 96 122 89.8 24.508 -0.240 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1012 ?? Nicotine 19.8898 1239.5 12.5 scans 2.6% 131 m/z 6.9% 0.00185% 2710 1.3 23 7216 71416 67496 0-1 4: 131 133 106 105 0.309 25.78 84.2 61 100 100 100 162 0.0 0.000 -5.888 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4571 1261.8 11.0 scans 19% 71 m/z (107) 7.0% 0.00736% 2807 1.2 42 7174 283444 268644 0-4 6: 71 57 85 70 170 99 0.723 20.32 4.1 82 95 73 91 170 5.2 0.000 0.137 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1034 ? Decanal 20.6643 1268.0 8.0 scans 81% 57 m/z 0.46% 0.240% 2842 1.0 287 107745 9252913 8464134 4-2 20: 57 41 55 43 70 82 71 68 44 83 81 56 112 67 69 96 42 84 39 109 0.952 20.57 -139.0 77 97 97 97 138 15.6 0.295 0.095 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6649 1268.1 8.2 scans 83% TIC 0.45% 0.260% 2842 0.9 290 109929 10049503 9059936 3-2 0.976 20.56 189.4 78 98 98 100 128 26.6 0.839 0.102 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1024 ?? Hexadecane 20.8945 1274.9 7.7 scans 15% 57 m/z 4.2% 0.00345% 2881 1.3 41 11976 133001 117684 3-3 14: 57 71 99 98 114 150 56 83 112 70 125 72 117 54 0.461 33.32 7.9 61 83 47 78 226 0.0 0.000 -12.424 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1006 ?? Arosol 21.0858 1280.7 15.9 scans 36% 94 m/z (137) 0.54% 0.0680% 2914 2.4 116 92832 2621215 2453439 1-1 7: 94 66 88 38 87 45 99 0.736 20.98 195.7 63 93 77 96 152 5.0 0.000 0.103 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1360 1282.2 9.0 scans 70% 137 m/z (94) 0.50% 0.203% 2922 0.9 242 98860 7837953 7199362 3-2 12: 137 152 109 123 81 67 91 93 107 119 153 110 0.932 21.00 196.9 64 87 77 86 155 0.0 0.000 0.135 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2995 1287.1 11.7 scans 14% 281 m/z 3.1% 0.00929% 2949 2.6 45 15798 357877 327845 3-0 11: 281 282 283 265 127 207 249 191 251 267 284 0.744 12.25 134.0 74 96 64 95 281 34.4 58.440 9.049 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9914 1337.9 9.0 scans 52% 69 m/z (85) 0.50% 0.129% 3236 1.0 185 100812 4968076 4319430 4-2 8: 69 109 43 86 110 128 188 170 0.841 22.91 224.3 70 95 89 96 127 25.2 1.846 0.078 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.3710 1349.3 >21 scans 86% TIC 0.23% 0.585% 3301 0.1 320 214196 0.639% 22533074 22519087 24606327 0-2 0.992 22.70 -126.0 77 95 94 99 158 22.4 0.489 0.675 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.3710 1349.3 >21 scans 85% 73 m/z (91) 0.24% 0.680% 3301 0.1 318 207337 26208954 24627412 0-8 20: 73 60 57 115 55 41 129 98 43 69 87 61 45 39 42 56 101 83 158 84 0.982 25.35 200.1 75 95 95 99 162 0.0 0.000 -1.983 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8975 1365.2 9.0 scans 44% 57 m/z (72 123) 2.6% 0.0282% 3390 1.3 85 18908 1087999 1038126 1-2 6: 57 85 184 56 70 149 0.838 23.86 1.2 80 91 86 91 184 9.8 1.316 0.036 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1331 1373.1 7.0 scans 52% 73 m/z 0.39% 0.0889% 3430 1.0 185 126492 3424172 3147879 2-7 19: 73 341 429 342 147 325 343 430 431 326 74 207 327 148 295 344 191 75 251 0.906 24.17 -150.7 79 99 88 98 429 52.4 8.002 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7217 1392.7 >14 scans 66% 127 m/z (117) 1.4% 0.0581% 3530 1.0 122 34363 2238044 2028991 0-2 5: 127 95 88 97 109 0.953 24.70 253.1 69 89 88 98 170 4.2 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 24.9088 1399.0 11.1 scans 38% 71 m/z (98) 3.3% 0.0211% 3561 2.1 71 14854 814499 710770 2-5 14: 71 85 57 43 70 127 84 113 99 56 126 112 169 128 0.893 24.54 261.7 66 96 89 94 169 6.0 0.000 0.367 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2464 1410.2 7.3 scans 46% 43 m/z 0.56% 0.0289% 3618 1.0 108 88577 1115565 997565 9-1 12: 43 103 145 116 115 73 151 44 61 146 74 104 0.916 25.24 -149.7 78 100 92 99 145 40.4 13.978 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5499 1420.4 14.6 scans 94% 84 m/z 0.013% 4.50% 3670 0.6 938 3715049 173368873 162154621 2-4 20: 84 133 162 161 42 119 92 118 82 130 65 51 78 117 63 91 120 105 159 52 0.988 25.89 263.4 77 96 94 97 162 244.2 6.773 -0.342 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN GLAU_R~1-N1080 ?? Solanone 25.8350 1429.9 7.4 scans 35% 93 m/z (59) 2.1% 0.0245% 3718 0.9 95 22948 946475 908213 1-1 7: 93 121 136 79 94 194 108 0.672 25.78 274.6 63 92 77 94 194 11.9 1.565 0.058 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1060 1472.4 6.7 scans 32% 221 m/z 3.0% 0.0143% 3933 0.9 78 16449 553898 522645 2-2 18: 221 73 147 98 281 222 355 149 282 223 148 267 356 54 443 205 269 268 0.846 27.12 297.5 71 92 68 94 355 13.1 2.788 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1042 ?? Contamination 27.21min 27.1060 1472.4 6.7 scans 39% 221 m/z (57) 3.0% 0.0192% 3933 0.9 87 16353 739795 698054 2-2 18: 221 73 147 98 281 222 355 149 282 223 148 267 356 54 443 205 269 268 0.868 27.22 -155.4 69 93 61 92 443 8.3 0.914 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1934 1475.3 8.2 scans 69% 57 m/z (163) 0.75% 0.0669% 3948 1.2 152 66839 0.134% 2577638 2501394 5160012 1-0 19: 57 71 85 43 41 56 99 55 70 98 42 84 127 112 113 69 126 86 168 0.983 27.21 -0.5 95 98 96 97 198 18.3 1.444 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0623 1507.9 11.0 scans 45% TIC 0.82% 0.0665% 4095 1.7 139 60971 2561440 2367969 3-2 0.672 27.93 321.2 70 94 74 94 146 58.3 17.539 0.131 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4124 1521.0 8.7 scans 79% 80 m/z (57) 0.16% 0.216% 4155 0.9 257 305647 8324114 7882906 2-2 20: 80 171 104 53 78 170 172 77 91 51 81 65 103 105 39 79 52 63 167 168 0.982 28.39 327.6 78 100 98 100 171 111.7 18.902 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6757 1530.9 7.6 scans 75% 43 m/z (166) 0.21% 0.245% 4199 0.9 290 235568 9452962 8838547 6-10 20: 43 69 41 151 136 107 125 67 93 53 109 83 121 39 68 81 108 77 137 79 0.974 28.67 333.5 77 99 99 99 194 18.9 0.426 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.1049 1547.1 7.8 scans 54% 71 m/z (165) 0.22% 0.318% 4272 1.2 321 221940 0.399% 12246715 11235502 15364514 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 69 183 42 207 127 72 0.674 29.09 343.4 68 98 75 94 220 59.6 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1049 1547.1 7.8 scans 54% 71 m/z (171) 0.22% 0.314% 4272 1.2 320 222345 0.395% 12129489 11127956 15210484 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 69 183 42 207 127 72 0.803 29.10 343.2 68 96 91 94 227 6.7 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5258 1562.9 7.2 scans 44% 73 m/z 0.47% 0.0881% 4343 1.0 184 106099 3394502 3114817 10-3 20: 73 281 147 327 282 341 415 283 221 503 329 328 148 399 74 417 325 207 504 75 0.903 29.61 -150.2 78 99 87 98 503 26.6 2.089 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6816 1568.8 8.5 scans 85% 177 m/z (190) 0.040% 1.36% 4369 0.7 645 1252964 52506440 48257720 3-1 19: 177 178 91 135 77 105 93 79 107 133 121 149 119 122 41 192 117 159 109 0.990 29.68 356.3 73 94 95 95 192 67.5 1.096 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7749 1572.3 8.1 scans 60% 123 m/z 0.073% 0.258% 4385 1.0 301 689181 9941036 9152188 1-3 18: 123 135 124 107 91 95 79 109 77 39 53 125 81 67 93 165 193 105 0.825 29.77 358.3 78 98 80 98 193 27.3 0.823 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9496 1578.8 8.6 scans 76% 71 m/z 0.18% 0.348% 4415 0.7 337 279862 13421662 12688533 1-2 20: 71 85 57 43 99 113 41 55 69 127 84 70 155 56 83 169 111 141 126 86 0.928 29.94 362.4 76 99 95 98 254 9.2 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1734 1587.2 7.9 scans 58% 57 m/z (163) 0.73% 0.113% 4453 1.4 191 68275 0.164% 4374974 3957135 6315239 1-0 20: 57 85 71 43 41 55 84 70 56 127 69 155 98 183 86 141 42 169 83 96 0.881 30.38 -7.7 80 81 94 84 212 0.0 0.000 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5116 1600.6 7.7 scans 81% 191 m/z 0.037% 0.613% 4510 0.9 474 1333786 23620849 22647868 1-3 20: 191 206 192 57 163 74 175 91 115 41 107 73 77 207 88 147 128 161 133 105 0.958 30.50 375.8 80 100 97 100 206 126.9 7.165 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8298 1613.9 8.3 scans 24% 124 m/z (71) 2.9% 0.0177% 4564 1.1 76 16830 684252 650157 0-9 3: 124 137 180 0.923 30.81 384.5 66 90 76 92 180 19.3 6.488 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8941 1616.6 9.5 scans 48% 161 m/z (207) 1.1% 0.0666% 4575 1.0 134 45476 2566742 2365873 2-4 19: 161 162 147 91 105 134 119 163 148 77 189 204 145 51 103 106 133 165 89 0.892 30.88 0.6 89 93 80 94 204 19.2 2.034 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9591 1619.4 15.9 scans 2.3% 172 m/z 14% 0.00141% 4586 1.1 22 3530 0.00235% 54415 54415 90493 0-0 2: 172 171 0.900 30.93 1.4 69 83 66 83 171 14.8 45.188 0.032 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2235 1630.5 11.0 scans 76% TIC 0.11% 0.623% 4631 0.8 404 439850 23990463 21667315 3-2 0.905 31.18 395.5 76 97 90 98 180 91.4 5.118 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5382 1643.7 10.3 scans 45% TIC 0.51% 0.0617% 4684 0.8 151 97164 2376240 2231475 1-1 0.654 31.52 1.0 88 95 71 92 166 33.9 5.023 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9207 1659.8 8.2 scans 47% 71 m/z (161 124) 1.5% 0.0633% 4749 0.6 132 31566 2438108 2137119 1-2 20: 71 57 83 85 43 82 55 41 69 127 99 70 84 113 169 155 111 210 56 112 0.887 31.92 0.1 80 93 84 93 219 10.8 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0730 1666.2 6.8 scans 34% 221 m/z 0.99% 0.0373% 4774 1.1 122 50551 1438032 1315888 3-2 20: 221 73 147 222 207 295 341 355 223 296 281 325 74 342 148 356 297 268 279 327 0.906 32.08 -0.2 96 97 87 96 355 20.6 2.831 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2366 1673.0 8.8 scans 50% 57 m/z (73) 0.90% 0.0713% 4802 1.2 159 55696 0.109% 2746603 2746603 4197323 0-0 19: 57 71 43 85 183 41 99 56 105 113 149 182 55 127 70 77 42 141 112 0.944 32.24 -0.1 89 93 95 97 226 7.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4414 1681.7 >9 scans 49% 57 m/z 0.73% 0.0708% 4837 1.4 172 68217 2727723 2634068 0-1 20: 57 71 56 197 85 43 196 41 55 99 127 198 113 168 164 83 97 69 42 108 0.884 32.44 -0.0 79 81 81 80 226 6.7 0.154 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6846 1691.9 8.8 scans 61% TIC 1.3% 0.122% 4878 0.9 222 38275 4722095 4290787 0-2 0.868 32.67 0.4 93 95 83 95 220 13.8 0.387 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8664 1699.5 7.9 scans 14% 70 m/z (149) 1.4% 0.0302% 4909 1.1 95 35666 0.0427% 1163998 1005680 1644273 8-0 4: 70 220 201 216 0.753 32.87 0.0 65 76 61 76 186 2.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9408 1702.6 8.0 scans 70% 71 m/z 0.066% 0.341% 4922 0.9 345 761066 13140641 12136308 7-2 13: 71 43 159 111 56 243 72 155 173 143 98 89 73 0.945 32.93 0.3 94 93 85 98 243 52.8 2.341 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0902 1708.9 7.6 scans 50% TIC 1.4% 0.0495% 4947 1.1 171 35213 1907621 1672030 2-1 0.904 33.09 0.2 93 97 93 97 224 11.5 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3110 1718.2 7.4 scans 76% 57 m/z (96) 0.19% 0.277% 4984 0.8 311 257308 0.322% 10679870 10203905 12399432 0-1 19: 57 71 43 85 41 99 55 56 70 113 226 69 84 42 98 141 112 127 58 0.988 33.37 -2.6 96 98 98 98 226 35.9 1.332 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8364 1727.4 8.3 scans 18% 217 m/z 0.75% 0.0268% 5073 1.1 96 66906 1035651 974864 3-0 12: 217 232 218 189 201 233 128 157 129 87 175 130 0.745 33.83 452.7 65 87 59 88 232 43.1 20.028 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2738 1733.7 8.4 scans 38% 57 m/z (173) 0.98% 0.0547% 5147 0.9 129 51203 2108159 1863374 1-2 18: 57 85 71 43 211 210 98 113 41 56 99 182 70 141 155 127 183 58 0.894 34.27 0.1 91 98 93 97 211 24.7 3.665 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3747 1735.1 7.2 scans 52% 73 m/z 0.58% 0.0720% 5164 1.0 166 86649 2772837 2609897 1-2 20: 73 355 147 221 281 356 401 357 282 222 327 402 415 74 283 325 267 403 148 207 0.889 34.39 452.1 78 98 86 97 415 18.2 1.206 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 34.5731 1738.0 >9 scans 28% 85 m/z (179) 1.9% 0.0371% 5198 0.9 109 25307 1430251 1329074 1-0 20: 85 126 57 71 43 140 97 125 149 42 197 41 111 84 54 99 82 56 127 55 0.888 33.90 9.7 68 72 79 84 197 12.1 1.239 0.677 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8198 1741.5 14.5 scans 87% 91 m/z 0.043% 1.54% 5240 0.3 559 1150865 59390103 56703987 1-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 39 200 64 156 51 78 121 107 0.987 34.79 452.5 80 99 98 99 199 157.7 7.971 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9049 1742.7 8.2 scans 21% 68 m/z (178) 1.1% 0.0492% 5254 1.1 122 42706 1897640 1719541 2-4 2: 68 224 0.493 34.90 0.0 83 96 55 97 224 20.4 2.801 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5448 1766.2 7.2 scans 16% 221 m/z 0.73% 0.0568% 5532 1.0 148 68416 2189218 1986183 2-4 17: 221 73 147 207 295 222 281 369 223 282 296 341 297 148 327 283 279 0.640 36.58 449.7 75 98 74 97 369 23.7 2.554 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2508 1776.3 9.9 scans 90% 209 m/z 0.012% 4.24% 5652 0.4 1092 3880752 163539503 152853483 2-2 20: 209 224 181 165 167 210 105 178 166 179 103 225 77 91 193 115 152 119 97 182 0.986 37.20 450.0 80 99 98 99 224 339.5 9.660 0.051 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.3075 1777.1 10.1 scans 44% 71 m/z (115) 0.64% 0.154% 5661 1.0 200 78415 5954750 5459198 0-4 13: 71 85 57 99 84 113 55 69 70 56 86 42 197 0.941 38.91 -22.9 77 85 89 84 254 7.1 0.000 -1.603 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0584 1787.8 8.0 scans 61% TIC 0.27% 0.150% 5789 0.9 270 185493 5810112 5485390 2-1 0.923 38.06 448.1 76 98 92 97 225 53.3 3.903 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5915 1795.4 7.5 scans 28% 73 m/z 0.90% 0.0394% 5879 1.1 122 55657 1517749 1412973 3-2 20: 73 147 429 221 355 341 430 281 283 207 356 431 401 357 74 282 75 295 343 148 0.805 38.59 447.3 74 96 77 95 429 35.6 8.539 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.7739 1907.1 8.0 scans 90% 68 m/z 0.081% 1.55% 6079 0.7 753 618349 59804331 56746613 1-1 20: 68 95 82 123 69 57 43 55 81 83 67 41 97 71 96 109 124 111 79 56 0.993 39.94 538.0 80 99 99 99 278 38.5 0.261 -0.162 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8837 1920.7 7.7 scans 61% 43 m/z (170) 0.51% 0.187% 6098 1.2 249 97052 7208134 6534410 1-3 20: 43 58 71 59 85 57 109 55 95 69 41 110 124 123 56 83 70 250 81 82 0.975 39.88 552.4 75 98 99 99 250 24.7 0.979 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3081 1973.3 8.2 scans 61% 149 m/z 0.060% 0.287% 6170 1.0 311 833926 11053600 9899916 2-10 17: 149 150 223 104 76 167 205 93 65 105 121 132 50 39 122 151 77 0.892 40.31 598.4 79 99 86 99 223 67.5 4.714 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN N406_R~1-N1110 Phytol 40.3849 1982.9 8.2 scans 27% TIC 0.74% 0.0342% 6183 1.4 179 67669 0.0839% 1317864 1317864 3230784 0-0 0.619 40.66 -34.3 81 90 55 87 278 25.1 0.000 -0.277 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5903 2008.3 7.3 scans 35% TIC 1.2% 0.0135% 6217 1.6 126 41426 521906 495201 1-0 0.917 40.63 628.2 75 96 89 98 369 19.0 2.285 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1254 Phytol 40.8430 2039.7 7.8 scans 52% 82 m/z (229) 1.1% 0.115% 6260 1.2 196 43390 4459741 4083024 2-2 12: 82 81 95 123 68 79 67 96 278 109 124 94 0.961 40.87 -3.0 94 97 97 98 278 24.5 1.573 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BQLD_R~1-N1056 Homosalate 40.9982 2058.9 8.5 scans 74% 138 m/z 0.19% 0.374% 6287 0.9 364 264311 14436767 13840568 1-2 20: 138 109 120 69 121 124 83 65 82 41 55 262 92 81 95 93 67 139 68 39 0.970 41.00 673.1 80 99 98 100 262 46.7 1.646 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5549 2123.0 15.2 scans 91% 205 m/z 0.050% 4.55% 6381 0.2 954 992583 175209597 162677225 1-12 20: 205 57 189 55 91 41 191 203 77 163 135 109 115 133 233 119 219 67 79 105 0.987 41.49 -73.6 87 100 98 100 276 63.2 0.439 0.065 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1018 ? Nonadecane 41.8276 2138.3 8.4 scans 35% 57 m/z (217) 1.5% 0.0489% 6427 1.0 129 32760 0.0602% 1883445 1881760 2318155 1-0 19: 57 71 85 43 84 41 55 99 69 98 140 125 83 56 97 107 42 113 252 0.911 41.48 19.3 73 79 91 79 268 2.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9965 2147.8 8.0 scans 71% 74 m/z 0.11% 0.433% 6456 0.8 396 454689 16711556 15284606 2-4 20: 74 87 43 143 55 75 41 227 57 270 69 59 129 239 97 83 171 101 88 185 0.866 42.01 745.8 78 99 90 99 272 9.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3448 2167.4 7.6 scans 21% 73 m/z 1.8% 0.0197% 6514 0.9 86 27947 759922 708802 3-1 19: 73 147 281 355 221 207 282 503 75 341 283 148 74 356 208 327 429 325 342 0.827 42.37 758.4 73 96 78 94 503 13.3 2.394 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN N406_R~1-N1112 ? Phyllocladene 43.1559 2212.9 7.4 scans 3.2% 187 m/z (267) 11% 0.00361% 6652 1.0 36 4212 139048 138893 1-0 6: 187 272 161 134 162 148 0.567 43.24 -4.5 78 91 55 90 272 11.1 9.340 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.3123 2221.7 10.5 scans 60% 263 m/z (256) 0.35% 0.173% 6679 1.2 199 140739 6685426 6188837 2-2 19: 263 278 57 147 203 265 279 110 128 129 161 264 115 91 124 143 185 105 219 0.909 43.31 0.3 80 83 64 82 278 50.8 6.542 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8454 2251.6 8.1 scans 61% 57 m/z (177) 0.94% 0.0913% 6769 1.1 168 53625 3519342 3128675 2-4 20: 57 71 85 43 127 267 55 41 69 99 113 126 84 70 97 56 266 86 141 182 0.960 43.94 -5.1 66 66 88 86 282 7.8 0.215 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7823 2362.9 7.5 scans 29% 73 m/z 2.2% 0.0177% 7097 1.2 81 22079 685019 624112 3-2 18: 73 147 355 221 281 356 341 207 282 429 205 148 74 222 223 357 430 131 0.791 45.78 0.3 90 93 74 91 503 6.9 0.719 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9051 2370.0 7.8 scans 57% 74 m/z 0.49% 0.0919% 7118 1.1 180 102192 3540799 3266561 1-6 14: 74 87 43 143 255 75 298 101 129 88 59 185 213 256 0.842 45.92 891.3 77 97 82 97 298 31.1 3.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0922 2380.8 8.1 scans 59% 79 m/z (119) 1.8% 0.0579% 7150 1.0 135 27703 2233332 2059408 2-5 18: 79 95 93 67 108 80 81 94 91 107 121 135 77 78 122 65 149 59 0.927 46.13 -2.4 88 93 91 96 292 10.6 0.615 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1022 Henicosane 46.1748 2385.5 8.9 scans 33% 57 m/z (74) 3.2% 0.0214% 7163 1.4 74 15616 825285 713017 1-2 16: 57 85 71 43 99 56 169 113 86 70 100 182 197 126 127 168 0.871 46.28 -6.2 83 90 76 86 296 6.1 0.000 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7510 2418.7 7.7 scans 49% 74 m/z (227) 1.5% 0.0303% 7261 1.2 102 31749 1168066 1103402 3-3 13: 74 87 75 298 143 255 88 199 101 59 241 299 213 0.914 46.76 923.6 74 97 87 96 298 19.3 3.588 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4942 2461.5 7.6 scans 38% 138 m/z (126) 5.8% 0.0124% 7387 1.1 64 8685 477916 433483 3-5 6: 138 120 121 139 65 306 0.738 47.50 948.7 65 97 81 94 168 7.8 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6737 2471.8 >10 scans 16% TIC 10% 0.00143% 7417 0.6 35 4761 55095 47474 2-1 0.604 44.32 1024.5 68 95 59 92 369 8.3 0.000 3.354 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN HCMIX_~1-N1024 ?? Docosane 48.4211 2514.8 16.1 scans 35% 57 m/z (123) 7.1% 0.00914% 7544 1.2 48 7009 0.0125% 351989 340596 481344 2-0 15: 57 55 43 141 99 56 112 85 71 125 105 155 83 111 84 0.771 48.53 -6.2 65 80 70 74 310 4.2 0.000 -0.108 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9205 2543.6 7.7 scans 50% 73 m/z 2.5% 0.0158% 7628 1.3 73 19940 608971 553910 2-7 20: 73 221 147 429 281 74 430 341 431 222 355 148 342 265 401 282 205 296 415 325 0.731 48.95 993.2 74 100 73 98 429 19.2 6.914 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3467 2625.6 7.9 scans 60% 74 m/z 2.1% 0.0242% 7870 1.1 94 23479 932855 874105 2-6 18: 74 87 43 143 75 326 55 69 57 41 97 129 125 59 101 67 227 81 0.784 50.36 1038.6 71 94 76 91 326 18.7 3.999 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8355 2711.3 8.1 scans 51% 73 m/z 2.5% 0.0164% 8122 1.1 73 20092 634019 576538 2-5 19: 73 147 221 355 281 429 222 148 295 341 265 357 431 223 282 430 283 74 208 0.703 51.86 1080.4 72 95 68 92 503 9.8 1.791 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BNWA_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6059 2870.7 9.9 scans 52% TIC 3.5% 0.0130% 8592 1.4 64 14398 502797 461179 1-3 0.697 45.81 1394.2 69 94 69 93 503 7.5 0.000 8.794 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1639 772.7 5.7 scans 91% 77 m/z (74) 0.038% 0.264% 47 4.4 351 1260108 13492828 12593553 0-5 16: 77 45 78 79 62 76 59 63 75 61 47 46 92 60 64 80 0.998 4.37 18.7 99 100 99 100 77 300.0 73.256 -0.207 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1244 823.7 >8 scans 43% 57 m/z (102) 2.8% 0.00461% 379 0.5 46 16624 235664 215668 1-0 6: 57 41 87 59 39 58 0.860 6.03 -137.9 70 96 84 95 102 5.4 0.000 0.091 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5890 835.8 18.4 scans 65% 207 m/z 0.44% 0.0589% 458 3.0 113 107960 3009042 2663280 2-3 19: 207 208 209 191 177 133 193 73 210 135 192 119 211 161 115 103 117 179 59 0.805 6.53 -141.0 80 100 83 99 207 87.8 60.574 0.061 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6882 864.4 8.7 scans 85% 41 m/z 0.90% 0.0902% 644 2.3 176 52920 4606011 4214316 1-4 20: 41 69 55 83 39 42 57 98 70 97 56 53 43 80 79 54 38 40 51 68 0.936 7.71 9.1 98 98 95 98 98 45.0 6.539 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2379 982.9 7.9 scans 60% 43 m/z (60) 0.54% 0.0751% 1414 1.4 169 87315 3833049 3466320 5-4 14: 43 99 71 134 55 133 191 147 67 68 126 58 266 251 0.830 12.22 36.6 87 93 34 99 281 75.4 19.860 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6812 994.4 10.2 scans 85% 81 m/z (121) 0.30% 0.118% 1490 2.2 180 155456 6043260 5578919 2-2 20: 81 110 53 39 79 41 67 68 65 51 63 77 82 95 54 55 66 50 40 109 0.972 13.22 30.8 93 97 96 99 110 51.6 8.219 -0.541 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1022 ? Octanal 12.9350 1001.1 8.0 scans 68% 57 m/z (72) 2.5% 0.0377% 1533 1.7 118 19089 1923945 1695358 2-3 18: 57 56 84 41 43 55 44 69 42 82 85 68 67 39 100 95 80 58 0.931 12.96 -173.7 72 97 93 97 110 13.7 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1016 Limonene 13.9115 1027.5 8.2 scans 56% 68 m/z 0.87% 0.0511% 1698 1.3 149 55087 2607904 2458354 1-3 19: 68 93 67 94 136 79 121 92 107 53 43 91 81 77 95 39 65 80 55 0.735 13.89 52.2 87 99 84 98 136 30.6 4.213 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1045 1032.7 12.3 scans 77% 79 m/z 0.48% 0.113% 1731 1.5 178 99147 5790247 5379933 2-3 20: 79 108 107 77 51 91 78 90 80 76 39 109 52 50 37 40 105 74 62 92 0.959 14.11 53.7 92 100 96 99 108 80.0 20.177 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4610 1042.4 9.6 scans 93% 91 m/z 0.022% 0.963% 1791 1.2 561 2099591 49151230 43123541 3-5 20: 91 92 120 65 63 39 89 51 62 50 121 90 64 93 38 74 66 41 52 61 0.992 14.44 57.6 91 100 99 100 120 181.3 10.445 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0154 1057.4 7.9 scans 48% 70 m/z (96) 3.9% 0.0157% 1885 1.5 82 12291 805628 755669 1-2 17: 70 55 83 41 69 57 39 42 93 97 84 67 68 53 79 56 58 0.875 18.83 4.7 73 78 73 85 122 0.0 0.000 -3.815 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1801 1061.9 11.3 scans 90% 105 m/z 0.085% 0.441% 1913 2.1 338 564002 22515278 20972972 2-1 20: 105 77 123 51 46 50 106 78 74 124 76 75 52 79 53 39 63 38 49 62 0.988 15.17 64.5 89 99 99 99 123 118.9 12.392 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.2137 1062.8 11.7 scans 3.1% 122 m/z (105) 2.2% 0.0102% 1918 2.0 51 21674 521198 498178 3-1 2: 122 109 0.650 20.03 -7.9 62 76 21 73 122 39.3 59.428 -4.815 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN 98-86-2 ? Acetophenone 15.2621 1064.1 >10 scans 67% 77 m/z 0.30% 0.0814% 1927 999.0 173 155867 0.329% 4158627 3923077 16788623 0-2 14: 77 105 107 121 43 51 76 106 64 52 59 49 42 86 0.933 15.29 -181.6 76 95 91 98 120 44.3 6.555 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4369 1068.8 9.1 scans 72% 95 m/z 0.18% 0.193% 1956 1.7 263 258522 9873666 8793681 2-3 19: 95 81 43 124 79 53 109 39 41 82 65 96 66 51 67 77 110 125 50 0.914 15.43 67.1 88 100 95 100 124 77.6 8.676 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2137 1089.9 8.6 scans 22% 132 m/z (98) 11% 0.00273% 2088 1.6 34 4302 139673 138723 0-1 7: 132 117 116 115 91 99 92 0.654 16.25 -184.7 63 91 59 96 132 17.5 26.487 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1002 Undecane 16.6134 1101.1 8.2 scans 58% 57 m/z 1.5% 0.0201% 2155 1.2 98 30458 1027549 930824 2-1 18: 57 71 43 85 41 56 70 55 156 42 98 99 84 39 69 53 93 112 0.888 16.59 1.1 93 97 89 95 156 12.3 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1016 Nonanal 16.7828 1108.3 8.3 scans 90% TIC 0.19% 0.371% 2185 0.9 370 244302 18960534 16012373 3-5 0.979 16.82 85.9 81 97 96 97 124 23.2 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9664 1116.0 8.7 scans 73% 71 m/z 0.30% 0.126% 2216 1.2 226 158118 6436801 5826861 2-6 19: 71 95 43 58 110 128 41 55 85 84 57 69 72 70 68 56 113 42 96 0.940 16.97 91.3 81 99 96 99 128 55.2 5.988 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0626 1120.1 10.3 scans 53% 91 m/z 0.52% 0.0414% 2232 1.4 118 91708 2112827 1910296 8-4 13: 91 92 122 65 89 62 63 51 93 104 123 103 134 0.888 17.05 94.1 79 99 86 98 122 42.5 12.859 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0727 1162.8 9.4 scans 80% TIC 0.34% 0.0924% 2403 1.6 190 140208 4720100 4194073 11-2 0.928 18.13 -168.9 80 99 90 99 355 79.1 17.391 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 18.5184 1181.6 10.6 scans 54% 60 m/z (70) 1.4% 0.0511% 2478 0.4 126 33462 2609042 2387954 1-4 13: 60 85 73 55 97 87 101 57 88 115 108 98 61 0.901 22.03 -127.5 71 95 83 97 175 0.0 0.000 -3.516 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.5184 1181.6 10.6 scans 55% 60 m/z (70 109) 1.4% 0.0517% 2478 0.4 127 33478 2639186 2415544 1-4 13: 60 85 73 55 97 87 101 57 88 115 108 98 61 0.898 19.87 113.3 68 93 77 95 144 0.0 0.000 -1.353 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7032 1189.4 >10 scans 73% TIC 1.9% 0.0391% 2510 1.1 135 24754 0.0917% 1999693 1880352 4679382 0-2 0.945 18.71 138.6 76 96 93 99 153 4.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1012 ? Nicotine 18.9228 1198.7 >18 scans 7.1% 63 m/z 3.9% 0.00197% 2548 1.1 30 12214 101006 91872 1-2 9: 63 62 65 106 102 79 120 50 64 0.148 25.78 43.4 72 100 100 100 162 0.0 0.000 -6.855 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1253 1207.2 8.0 scans 47% 82 m/z (77) 1.8% 0.0141% 2582 1.0 78 25348 722138 686750 1-0 11: 82 43 54 39 53 83 97 41 111 45 42 0.925 19.12 150.1 76 97 97 100 97 11.5 2.173 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2516 1212.6 10.1 scans 10% 119 m/z (59) 5.9% 0.00362% 2603 1.3 36 8087 184993 173263 1-0 3: 119 134 120 0.770 13.76 13.1 76 81 66 81 134 14.8 17.285 5.495 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8006 1235.8 8.0 scans 88% 57 m/z 0.12% 0.287% 2696 1.2 349 391010 14670688 13736252 2-5 20: 57 45 41 75 87 56 89 72 100 101 43 59 85 60 71 73 44 58 55 62 0.975 19.81 168.3 78 97 94 100 144 7.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3154 1257.5 9.7 scans 49% 57 m/z (42) 1.8% 0.0247% 2783 1.6 91 26319 1264799 1179185 3-1 14: 57 43 71 41 85 70 98 84 170 56 86 72 58 141 0.898 20.32 -0.2 91 95 88 96 170 12.1 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1034 ? Decanal 20.5249 1263.9 8.1 scans 82% 57 m/z (52) 0.42% 0.203% 2819 0.9 285 111542 10388403 9505602 5-2 19: 57 41 55 82 70 71 68 44 83 56 67 81 69 112 96 84 42 39 54 0.985 20.57 -143.1 73 94 95 99 138 14.6 0.261 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5267 1263.9 8.3 scans 81% TIC 0.41% 0.198% 2819 0.8 284 115408 10132149 9315780 3-2 0.967 20.56 185.2 79 99 99 99 128 25.1 0.783 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9393 1276.3 9.7 scans 78% 94 m/z (137) 0.17% 0.161% 2889 1.6 226 281494 8243591 7804576 2-2 9: 94 138 77 66 45 139 50 76 74 0.985 20.98 191.3 76 97 95 100 152 4.4 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.0173 1278.6 >4 scans 24% 120 m/z 0.91% 0.0264% 2901 999.0 136 52530 0.0593% 1349543 1231867 3026034 0-3 2: 120 103 0.388 21.00 193.3 70 95 31 91 155 1.9 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 21.0834 1280.6 8.6 scans 16% 71 m/z (45 74) 6.5% 0.00763% 2913 1.5 53 7361 389644 342414 1-1 7: 71 85 57 70 99 144 140 0.724 33.32 13.6 68 75 80 79 226 0.0 0.000 -12.236 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1684 1283.2 8.9 scans 15% 281 m/z 1.7% 0.00990% 2928 2.2 57 27227 505570 452388 2-3 12: 281 282 207 283 191 193 267 284 265 268 209 195 0.710 12.25 130.1 75 97 62 95 281 44.1 59.154 8.917 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2782 1286.5 7.7 scans 35% 57 m/z 2.6% 0.0153% 2946 1.0 88 18087 783016 714302 3-1 10: 57 56 70 81 71 126 111 96 67 68 0.783 16.82 -4.9 71 69 55 79 124 2.9 0.000 4.463 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1042 ? Phytol 21.2782 1286.5 7.7 scans 48% 57 m/z (121) 2.5% 0.0247% 2946 1.0 102 18879 1264760 1153769 3-1 10: 57 56 70 81 71 126 111 96 67 68 0.957 35.35 -10.9 78 82 84 82 196 0.0 0.000 -14.069 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0090 1308.4 8.1 scans 13% 175 m/z 0.69% 0.0183% 3070 1.0 89 68837 934171 851485 3-4 12: 175 176 190 66 131 147 63 117 64 80 129 128 0.610 22.01 208.0 73 97 65 96 190 28.6 10.346 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8963 1335.0 8.4 scans 67% 69 m/z (85) 0.21% 0.195% 3220 1.0 265 226342 9984209 8881081 4-4 8: 69 43 109 86 110 128 127 170 0.925 22.91 221.4 73 96 90 96 127 34.7 1.717 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.2416 1345.4 >21 scans 81% 60 m/z (85) 0.18% 0.548% 3279 0.2 333 257061 28004697 25563054 1-11 20: 60 73 57 115 129 41 55 43 87 98 69 61 45 83 56 42 101 39 70 74 0.977 22.70 -129.9 74 94 94 98 158 22.4 0.454 0.546 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.2416 1345.4 >22 scans 79% TIC 0.19% 0.500% 3279 0.2 331 247734 25550351 24425156 0-4 0.964 25.35 196.2 77 96 92 99 162 0.0 0.000 -2.112 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0858 1371.5 7.3 scans 77% 73 m/z 0.11% 0.257% 3422 1.0 352 409162 13158103 12326871 2-5 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 45 75 251 148 191 82 0.920 24.17 -152.3 79 99 87 99 429 100.1 8.075 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1006 ? Tridecane 24.5451 1386.8 8.3 scans 58% 57 m/z (87) 0.89% 0.0523% 3499 0.9 142 53758 2673450 2448471 3-1 11: 57 85 99 113 84 127 155 140 141 156 212 0.958 23.86 22.8 78 82 91 82 184 0.0 0.000 0.683 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6868 1391.5 8.4 scans 50% 43 m/z 1.4% 0.0206% 3523 1.0 105 32318 1052062 987340 1-1 19: 43 83 69 142 82 41 58 55 85 56 111 71 93 39 70 67 68 65 42 0.867 24.70 251.9 69 89 75 96 170 3.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.8680 1397.6 10.8 scans 42% 71 m/z (98) 2.1% 0.0224% 3554 2.2 85 22123 1144935 1071920 2-0 8: 71 85 127 155 86 113 72 126 0.928 24.54 260.3 70 95 92 94 169 6.6 0.604 0.326 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1927 1408.4 7.6 scans 38% 43 m/z 0.60% 0.0202% 3609 0.9 97 78926 1031197 915866 4-2 12: 43 103 145 116 115 86 74 61 104 155 169 117 0.906 25.24 -151.5 77 100 92 99 145 34.4 12.682 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4318 1416.4 15.4 scans 92% 84 m/z 0.0070% 6.77% 3650 0.5 1274 6769315 345657956 318961623 1-5 20: 84 162 161 119 42 92 118 130 65 117 91 77 104 106 52 93 79 50 80 81 0.987 25.89 259.4 78 97 94 97 162 343.1 7.254 -0.460 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0930 1471.9 6.5 scans 58% 73 m/z 0.87% 0.0324% 3931 0.9 133 54634 1655010 1518839 2-2 20: 73 221 147 281 222 355 223 282 267 148 357 443 251 149 356 268 74 205 444 133 0.903 27.12 297.0 78 98 88 97 355 24.3 3.354 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1697 1474.5 8.1 scans 78% 57 m/z (183) 0.25% 0.145% 3944 1.1 242 186185 0.211% 7447988 6977231 10767171 2-0 20: 57 71 43 85 41 56 55 99 70 198 42 112 84 98 69 127 113 141 126 72 0.982 27.21 -1.3 94 96 96 97 198 28.0 1.346 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1032 ? Myosmine 28.0139 1506.1 13.2 scans 63% 118 m/z (147) 0.35% 0.148% 4087 1.3 192 135017 7579812 7221905 1-2 15: 118 146 145 105 104 78 51 117 63 42 65 90 64 50 40 0.860 27.93 319.4 75 99 89 98 146 83.7 18.959 0.083 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3793 1519.8 8.6 scans 78% 80 m/z (71) 0.16% 0.144% 4149 1.0 239 288831 7385404 6973257 2-2 19: 80 171 104 53 78 170 172 91 77 81 51 103 65 105 79 39 52 63 168 0.978 28.39 326.4 77 99 97 99 171 101.9 18.105 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6573 1530.2 8.1 scans 81% 43 m/z (166) 0.099% 0.410% 4196 0.9 400 482122 20945785 18431916 8-9 19: 43 69 41 151 136 107 67 125 93 109 53 81 39 121 83 68 79 108 91 0.990 28.67 332.8 77 98 98 100 194 23.9 0.356 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0918 1546.6 7.4 scans 78% 71 m/z 0.11% 0.442% 4270 1.1 467 426113 0.503% 22557344 21844131 25667712 1-0 20: 71 57 43 85 41 177 55 70 56 113 141 220 99 112 135 84 69 67 149 97 0.928 29.09 342.9 79 100 93 99 220 65.7 1.981 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5086 1562.3 7.7 scans 90% 73 m/z 0.027% 1.57% 4340 1.0 844 1768397 80213838 75676913 3-2 20: 73 281 147 327 282 283 221 328 148 416 74 329 342 417 207 505 400 343 75 59 0.991 29.61 -150.8 80 99 98 99 503 135.3 2.575 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6627 1568.0 8.1 scans 66% 177 m/z (49) 0.026% 1.11% 4366 0.7 682 1823896 56797634 54070260 2-1 20: 177 43 178 135 91 77 93 105 79 121 107 149 133 95 122 119 41 192 109 65 0.816 29.68 355.5 66 91 59 90 192 80.1 1.379 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7583 1571.6 7.9 scans 73% 123 m/z 0.041% 0.381% 4383 1.0 414 1149045 19444949 17709827 1-4 17: 123 43 135 124 107 95 91 79 109 77 53 39 67 81 125 93 105 0.951 29.77 357.6 79 99 95 99 193 33.4 0.653 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9389 1578.4 8.8 scans 72% 71 m/z (74) 0.14% 0.347% 4413 0.8 344 321871 17730457 16872788 1-1 17: 71 85 57 43 99 113 84 127 69 155 70 56 126 42 86 112 100 0.953 29.94 362.0 77 100 96 99 254 9.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1650 1586.9 7.4 scans 46% 57 m/z 0.55% 0.0497% 4451 1.3 181 86508 0.0771% 2538359 2538359 3934355 0-0 19: 57 71 85 43 99 55 84 41 113 155 56 70 127 69 183 83 42 86 141 0.868 30.38 -8.0 80 82 82 82 212 0.0 0.000 -0.212 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4980 1600.0 8.1 scans 90% 191 m/z 0.014% 1.26% 4508 0.8 743 3270483 64782008 60783500 2-2 20: 191 206 192 57 163 74 175 41 115 107 207 77 88 147 128 161 105 117 121 119 0.992 30.50 375.2 81 100 99 100 206 197.2 7.041 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8209 1613.6 8.8 scans 32% 124 m/z (71) 0.80% 0.0442% 4562 0.9 131 59624 2257188 2133069 3-4 7: 124 137 180 125 138 54 168 0.945 30.81 384.2 69 91 87 92 180 35.3 7.255 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8752 1615.8 10.8 scans 40% TIC 0.49% 0.0723% 4572 0.6 180 96857 0.0909% 3691449 3554119 4638559 0-1 0.596 30.88 -0.2 81 89 42 84 204 49.6 7.630 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2093 1629.9 9.6 scans 71% 111 m/z 0.060% 0.691% 4628 0.6 509 796125 35283581 32808695 2-2 20: 111 109 137 67 180 43 110 124 95 152 41 79 77 39 81 112 69 94 93 53 0.882 31.18 394.9 77 98 87 98 180 114.5 5.051 0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5127 1642.6 9.6 scans 62% 43 m/z (95) 0.32% 0.127% 4680 1.0 211 145781 6524100 5962829 2-2 19: 43 98 111 166 55 85 151 127 82 41 68 99 83 123 107 67 39 183 81 0.966 31.52 -0.1 96 99 96 99 166 41.3 3.839 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8097 1655.1 9.5 scans 24% 165 m/z (168) 3.4% 0.0233% 4730 0.9 94 13704 1190590 1060647 1-1 10: 165 161 59 131 162 189 119 129 175 92 0.808 31.80 0.6 72 72 54 97 208 11.2 1.426 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 7.9 scans 55% 83 m/z (79) 0.54% 0.0895% 4749 0.8 196 88720 4567936 4281533 3-1 5: 83 82 55 210 155 0.952 31.92 0.1 79 83 90 88 219 3.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0718 1666.1 6.6 scans 31% 221 m/z (163) 0.83% 0.0334% 4774 1.0 129 57094 1708394 1582637 4-2 18: 221 73 147 295 222 207 341 355 223 281 296 325 74 267 297 356 342 208 0.910 32.08 -0.3 94 98 89 98 355 22.2 2.969 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2288 1672.7 8.4 scans 73% 57 m/z (157) 0.24% 0.243% 4801 1.2 301 198505 12450563 11130003 2-2 20: 57 149 105 77 43 71 100 85 123 41 51 137 99 55 150 92 183 106 135 42 0.976 32.24 -0.4 65 66 74 74 226 7.4 0.061 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4396 1681.6 8.3 scans 67% 57 m/z (211) 0.27% 0.179% 4837 1.0 264 176274 9153098 8490953 1-2 20: 57 71 85 43 56 41 197 55 196 99 113 69 127 70 168 83 42 141 97 111 0.958 32.44 -0.1 91 95 93 95 226 9.5 0.128 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6751 1691.5 8.5 scans 81% 205 m/z 0.39% 0.424% 4876 0.9 430 121068 21683850 20885746 2-1 20: 205 91 119 105 43 93 159 79 107 162 147 77 41 131 69 187 106 133 67 121 0.960 32.67 -0.0 96 96 94 98 220 25.7 0.357 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8611 1699.3 7.7 scans 36% 70 m/z (149) 0.37% 0.102% 4908 1.4 203 129317 5240564 4698114 6-3 3: 70 96 201 0.853 32.87 -0.2 74 82 79 86 186 2.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9307 1702.2 8.2 scans 50% 71 m/z (149) 0.11% 0.157% 4920 0.7 240 421953 8014155 7092445 3-3 12: 71 43 159 72 155 173 143 243 89 73 244 156 0.897 32.93 -0.1 94 96 95 100 243 36.6 2.314 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0848 1708.7 7.6 scans 37% 97 m/z (129 216) 1.8% 0.0554% 4946 1.1 148 25914 2828624 2345251 3-1 17: 97 83 55 69 70 41 56 57 43 84 82 68 98 112 42 54 125 0.938 33.09 -0.0 88 94 95 95 224 9.0 0.374 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3067 1718.0 7.9 scans 71% 57 m/z (211) 0.24% 0.171% 4984 0.9 267 194428 0.237% 8768111 8181719 12093932 0-9 20: 57 71 43 85 41 56 55 99 70 42 69 98 140 84 113 112 58 83 97 72 0.983 33.37 -2.8 94 95 98 98 226 27.0 1.022 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8292 1727.3 7.8 scans 4.7% 217 m/z (105) 1.5% 0.00947% 5072 1.1 64 30454 483227 457381 2-1 5: 217 232 233 218 201 0.723 33.83 452.6 63 90 52 93 232 28.2 19.273 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8906 1728.2 >8 scans 30% TIC 1.2% 0.0100% 5083 1.0 119 37266 511016 490494 0-1 0.824 33.90 -0.1 90 97 85 95 197 22.7 3.630 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2708 1733.6 7.6 scans 32% TIC 0.59% 0.0189% 5147 0.8 147 80924 967718 893472 1-0 0.760 34.27 0.0 91 97 77 94 211 28.8 3.844 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3664 1735.0 8.7 scans 92% 73 m/z 0.022% 2.23% 5163 0.9 952 2144497 113893789 106185090 2-2 20: 73 147 221 281 356 401 357 402 74 267 207 148 223 385 416 325 133 341 328 131 0.988 34.39 452.0 81 100 99 100 415 110.8 1.356 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9130 1742.8 7.1 scans 5.7% 68 m/z (131) 0.41% 0.131% 5255 1.1 240 114205 6699435 6099081 4-3 3: 68 69 224 0.799 34.90 0.1 83 92 89 94 224 31.3 1.706 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9302 1743.1 >21 scans 85% 91 m/z 0.014% 4.29% 5259 0.2 939 3304947 219265838 204752241 1-1 20: 91 155 199 90 65 89 120 92 44 63 77 39 156 200 64 51 134 78 185 121 0.967 34.79 454.1 80 100 98 100 199 264.5 7.936 0.144 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6994 1754.1 8.8 scans 32% 123 m/z (137) 0.46% 0.0712% 5389 1.3 161 103058 3634948 3286834 3-3 12: 123 195 124 179 209 210 181 165 175 167 131 151 0.902 35.70 451.4 72 96 87 96 224 14.0 0.758 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2006 1775.5 7.9 scans 10% 209 m/z 1.3% 0.0133% 5643 1.0 80 34263 682805 639252 2-1 10: 209 224 181 165 210 225 178 103 194 193 0.712 37.20 449.2 72 94 61 92 224 30.6 14.745 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3033 1777.0 10.1 scans 52% 85 m/z (129) 0.60% 0.128% 5661 1.4 205 79236 6580255 5906709 1-3 19: 85 71 57 43 99 84 113 55 41 69 70 56 155 169 141 211 72 111 126 0.953 38.91 -23.0 81 86 94 86 254 3.5 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0566 1787.8 8.2 scans 60% 57 m/z 0.27% 0.125% 5788 1.0 250 174274 6419168 5867412 2-2 20: 57 71 85 43 56 41 99 225 55 224 113 127 69 70 141 98 83 239 58 42 0.920 38.06 448.1 78 98 91 97 225 46.2 3.413 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5867 1795.4 8.6 scans 84% 73 m/z 0.070% 0.552% 5878 1.2 473 680731 28211879 26409907 2-2 20: 73 147 429 221 355 281 430 341 431 207 356 222 74 401 148 342 282 295 267 325 0.972 38.59 447.3 80 100 96 99 429 132.3 7.823 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8045 1798.5 9.0 scans 42% TIC 0.45% 0.0562% 5915 1.3 187 104254 2869360 2705994 1-2 0.696 36.21 -52.4 60 84 67 81 240 18.0 0.000 2.594 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4497 1866.9 7.9 scans 39% 74 m/z 0.59% 0.0516% 6024 1.1 152 80490 2633994 2506858 2-3 15: 74 87 143 75 256 213 228 129 60 59 225 88 101 185 199 0.731 39.45 505.4 76 100 76 97 256 22.5 2.199 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8541 1917.1 15.5 scans 96% 95 m/z 0.016% 10.8% 6093 0.2 1641 2950978 10.9% 552763816 539237486 556218810 1-3 20: 95 68 82 123 69 57 81 55 83 67 43 97 41 71 109 96 124 111 79 85 0.996 39.94 548.0 81 100 99 100 278 98.0 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9196 1925.2 6.4 scans 70% 58 m/z (189) 0.30% 0.178% 6104 1.2 306 157574 9133993 8531774 0-3 13: 58 43 71 59 55 85 109 110 95 124 81 250 113 0.986 39.88 556.9 76 98 98 99 250 29.4 0.923 0.037 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3205 1974.9 7.8 scans 50% 149 m/z 0.11% 0.101% 6172 1.1 211 420229 5203216 4813377 2-7 14: 149 150 223 104 76 167 205 65 105 132 121 50 151 182 0.861 40.31 600.0 78 99 82 98 223 45.9 4.724 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N406_R~1-N1110 ? Phytol 40.3872 1983.1 9.2 scans 48% 81 m/z (138 149) 1.4% 0.0815% 6183 1.4 169 32858 0.102% 4162361 3839437 5204983 2-0 13: 81 95 123 82 68 124 79 96 278 137 179 110 94 0.928 40.66 -34.1 75 86 89 91 278 17.1 1.024 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6168 2011.6 7.0 scans 35% 221 m/z (150) 1.5% 0.0245% 6222 1.0 109 30652 1250422 1159772 1-3 18: 221 73 147 369 295 281 207 222 296 223 297 208 356 282 355 283 265 370 0.849 40.63 631.5 72 98 86 99 369 17.8 2.670 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1254 Phytol 40.8524 2040.8 8.5 scans 31% 81 m/z (83) 1.0% 0.0647% 6262 1.3 156 46981 3305173 3009035 2-2 15: 81 95 123 79 278 109 124 137 53 107 94 93 77 279 263 0.843 40.87 -1.9 80 85 61 83 278 25.3 2.638 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BQLD_R~1-N1056 Homosalate 41.0011 2059.3 7.8 scans 62% 138 m/z 0.24% 0.175% 6287 1.0 300 195348 8941567 8177462 1-2 19: 138 109 69 120 121 124 83 139 65 82 41 262 93 95 67 81 68 39 125 0.923 41.00 673.5 80 100 96 100 262 38.3 1.631 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1015 2071.7 10.5 scans 15% 81 m/z 2.1% 0.0236% 6304 1.1 101 22587 1204633 1091947 0-2 20: 81 109 191 262 136 122 124 55 123 177 189 151 107 205 93 163 135 121 247 108 0.369 41.13 683.9 69 94 40 90 262 24.2 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2449 2089.5 8.5 scans 68% 79 m/z 0.29% 0.224% 6328 1.0 312 165082 11465535 10410648 2-1 20: 79 67 93 95 80 91 55 108 81 41 121 94 77 107 135 59 87 78 105 122 0.863 41.26 -1.5 98 99 87 98 264 22.5 0.522 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4669 2117.0 9.1 scans 87% TIC 0.13% 0.809% 6366 0.5 570 368507 0.898% 41296066 39838779 45824265 0-1 0.958 41.49 -79.6 85 100 95 99 276 36.9 0.418 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0224 2149.3 8.2 scans 93% 74 m/z 0.014% 2.66% 6460 0.6 1060 3205144 135946820 125625557 3-2 20: 74 87 143 43 55 75 227 270 41 69 57 129 83 239 59 185 97 101 171 199 0.993 42.01 747.3 81 100 99 100 272 24.7 0.054 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3542 2167.9 7.5 scans 55% 73 m/z 0.51% 0.0591% 6516 1.1 167 93919 3019002 2893628 1-3 20: 73 147 281 221 355 429 503 207 341 430 357 148 283 295 356 505 504 74 431 282 0.883 42.37 758.9 74 96 88 98 503 27.0 2.615 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2786 2219.8 13.4 scans 20% 263 m/z (124) 2.2% 0.0162% 6674 1.7 61 21533 829226 747120 2-2 13: 263 278 105 279 116 240 203 155 220 129 91 147 161 0.636 43.31 -1.6 75 81 38 78 278 20.2 11.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8483 2251.8 8.6 scans 52% 71 m/z (205) 1.3% 0.0486% 6770 1.0 132 36781 2482549 2175500 2-4 18: 71 85 127 43 99 55 113 69 84 72 56 86 141 239 183 155 240 112 0.947 43.94 -4.9 63 64 85 82 282 5.5 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN N419_R~1-N1158 ?? Manool oxide 44.2544 2275.0 9.0 scans 12% 177 m/z (221) 18% 0.00458% 6840 0.7 39 2549 233725 221133 1-0 4: 177 159 275 276 0.462 43.83 837.4 62 95 41 89 275 13.5 12.065 0.427 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3076 2278.1 6.7 scans 35% 221 m/z (257) 2.6% 0.0126% 6847 1.0 79 18202 645264 582977 2-3 17: 221 73 147 295 281 207 223 369 296 297 282 355 370 75 267 208 429 0.788 44.32 830.8 72 98 88 99 369 13.7 3.040 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1571 2327.0 8.6 scans 72% TIC 1.3% 0.0927% 6991 1.1 204 34264 4732966 4320653 3-1 0.868 44.90 14.8 85 86 80 85 272 14.3 0.495 0.256 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8035 2364.2 7.8 scans 31% 73 m/z 1.1% 0.0276% 7101 1.1 111 42455 1413197 1304159 2-1 20: 73 355 147 221 281 356 357 70 207 267 222 429 282 68 341 268 415 325 148 208 0.826 45.78 1.6 93 95 76 93 503 10.3 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1026 Methyl stearate 45.9239 2371.1 8.2 scans 86% 74 m/z 0.036% 1.10% 7121 1.0 685 1323468 56549835 52953751 1-4 20: 74 87 43 143 75 255 55 57 41 298 69 199 83 97 129 101 59 71 88 56 0.984 45.92 892.4 80 100 99 100 298 107.9 2.478 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1057 2381.6 8.4 scans 75% 79 m/z (84) 0.17% 0.456% 7152 1.0 419 280534 23276106 21121654 2-5 20: 79 67 95 93 108 80 81 91 41 94 107 77 121 135 78 122 109 68 59 149 0.958 46.13 -1.6 93 96 92 98 292 30.0 0.513 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1024 Methyl stearate 46.7616 2419.3 8.3 scans 87% TIC 0.15% 0.250% 7263 1.0 329 314725 12796501 11748500 3-6 0.967 46.76 924.2 80 100 97 99 298 56.1 2.913 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BQLD_R~1-N1052 Dodecyl p-hydroxybenzoate 47.5042 2462.1 7.9 scans 92% 138 m/z 0.077% 0.569% 7389 1.0 501 618049 29051597 26992683 2-2 20: 138 120 121 57 43 139 55 71 41 69 70 111 56 65 85 92 83 168 93 84 0.986 47.50 949.3 81 100 99 100 168 60.0 1.432 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9428 2544.9 8.1 scans 59% 73 m/z 1.5% 0.0209% 7632 1.1 96 30700 1067497 970934 2-5 19: 73 147 221 355 429 281 356 430 431 207 267 222 148 295 131 327 283 325 282 0.801 48.95 994.5 73 97 82 99 429 26.1 7.427 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3531 2626.0 7.9 scans 81% 74 m/z 0.39% 0.100% 7871 1.3 210 120631 5151282 4755084 2-4 20: 74 87 43 75 326 55 143 57 69 41 283 97 83 129 71 88 227 59 199 56 0.900 50.36 1039.0 78 99 90 98 326 39.2 3.479 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8597 2712.7 7.8 scans 48% 73 m/z 2.2% 0.0123% 8126 1.1 72 21266 631037 582074 3-5 20: 73 147 221 355 429 281 222 356 283 295 503 431 369 504 74 296 282 430 205 75 0.679 51.86 1081.8 73 96 67 93 503 11.1 2.356 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP1.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6395 2872.6 11.5 scans 43% TIC 5.4% 0.00533% 8597 1.0 51 8757 272424 258953 1-0 0.737 45.81 1396.1 70 94 73 93 503 6.7 1.726 8.828 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1606 772.6 4.7 scans 92% 77 m/z 0.031% 0.293% 46 2.7 366 1407051 11637234 10812625 0-6 15: 77 45 78 79 62 76 59 75 61 63 47 46 92 64 48 0.994 4.37 18.6 100 100 99 99 77 312.5 72.930 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1282 823.8 9.4 scans 49% 57 m/z (69) 0.88% 0.0344% 380 0.3 86 49806 1363465 1007868 2-11 18: 57 41 56 39 43 58 59 45 102 55 67 82 42 71 40 53 38 51 0.675 6.03 -137.8 68 96 88 97 102 9.7 1.294 0.095 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5048 833.6 18.0 scans 70% 207 m/z 0.40% 0.0749% 443 2.7 112 109640 2968301 2783125 2-1 20: 207 208 191 133 177 147 193 209 192 163 165 89 134 119 178 67 194 161 82 105 0.835 6.53 -143.2 80 100 83 99 207 87.2 60.670 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6152 862.5 8.3 scans 84% 41 m/z 0.86% 0.108% 632 2.3 171 50832 4307228 3769797 2-3 20: 41 55 69 83 39 57 42 98 70 97 56 80 43 53 54 68 38 79 81 51 0.947 7.71 7.2 99 99 96 99 98 38.9 5.161 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2056 982.0 9.0 scans 41% 43 m/z (116) 0.30% 0.132% 1409 1.9 180 145830 5268607 4735760 2-4 11: 43 281 99 71 282 108 72 191 193 142 100 0.606 12.22 35.7 86 93 39 100 281 88.0 24.028 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6507 993.6 9.8 scans 74% 81 m/z 0.20% 0.179% 1485 2.0 202 209667 7100988 6293555 2-3 17: 81 110 53 39 79 67 77 65 82 51 95 50 66 109 91 111 52 0.972 13.22 30.0 95 96 94 99 110 59.4 8.662 -0.571 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1022 ? Octanal 12.9129 1000.5 8.1 scans 52% 41 m/z (45) 4.0% 0.0272% 1528 1.5 89 10836 1080723 982896 1-3 16: 41 57 55 44 69 42 82 100 85 84 56 39 71 110 95 54 0.929 12.96 -174.3 73 98 95 99 110 7.1 0.640 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1024 ? p-Cymene 13.7187 1022.3 >9 scans 24% TIC 5.2% 0.00100% 1665 0.6 34 8351 39866 39866 0-0 0.762 13.76 -177.2 74 97 75 95 134 13.1 15.183 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1016 Limonene 13.8869 1026.8 8.7 scans 41% 68 m/z 1.9% 0.0294% 1694 1.4 99 22517 1167964 1084185 1-4 20: 68 93 67 136 39 53 43 94 82 81 92 79 41 91 95 105 77 107 80 126 0.617 13.89 51.5 85 96 75 96 136 19.1 3.754 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0988 1032.6 11.2 scans 94% 79 m/z 0.038% 1.74% 1730 1.0 611 1141308 69042349 63136573 2-5 20: 79 108 107 77 51 91 78 50 80 89 90 39 109 65 63 53 52 74 105 62 0.994 14.11 53.6 92 100 100 100 108 269.5 19.459 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4471 1042.0 9.3 scans 90% 91 m/z 0.020% 1.20% 1789 1.1 563 2172480 47840471 43212218 2-6 20: 91 92 120 65 63 39 89 51 62 50 121 90 64 93 41 66 38 74 61 52 0.976 14.44 57.2 91 100 99 100 120 183.4 10.634 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 14.9967 1056.9 7.4 scans 41% 70 m/z (99) 4.3% 0.0172% 1882 1.4 75 10118 685199 632585 1-3 15: 70 83 41 55 93 69 84 97 126 68 58 92 81 119 66 0.840 18.83 4.2 68 72 68 83 122 0.0 0.000 -3.833 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1626 1061.4 10.3 scans 88% 105 m/z 0.10% 0.348% 1910 1.5 289 427663 0.418% 13818275 13099850 16558741 2-0 20: 105 77 123 51 106 50 78 74 76 75 52 79 49 67 53 38 64 37 62 73 0.983 15.17 64.0 89 100 98 99 123 103.9 12.943 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN 98-86-2 ? Acetophenone 15.2506 1063.8 >11 scans 61% 105 m/z 0.34% 0.0812% 1925 1.8 154 127941 3219183 3050683 0-2 19: 105 120 77 107 51 53 121 62 106 65 125 63 50 81 52 39 89 96 74 0.922 15.29 -181.9 75 94 90 99 120 49.7 10.447 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4194 1068.4 8.9 scans 51% 95 m/z 0.51% 0.0694% 1953 1.4 139 85898 2750191 2364086 1-9 18: 95 81 124 43 79 53 109 39 41 82 96 80 110 66 125 50 97 123 0.793 15.43 66.7 86 99 81 99 124 44.3 10.161 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1028 ?? p-Cymenene 16.2075 1089.7 8.4 scans 17% 117 m/z (148) 9.0% 0.00359% 2087 0.7 33 4828 142367 132438 1-2 9: 117 115 132 118 91 99 116 92 65 0.685 16.25 -184.9 67 98 74 95 132 18.3 30.633 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1002 Undecane 16.5971 1100.4 7.5 scans 39% 57 m/z (267) 2.0% 0.0221% 2153 1.1 85 21664 877564 833989 1-2 15: 57 71 85 41 56 127 98 83 252 70 84 195 58 156 96 0.910 16.59 0.4 82 84 90 92 156 9.2 1.183 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1016 Nonanal 16.7677 1107.6 8.0 scans 84% 57 m/z (267) 0.39% 0.218% 2182 1.1 250 109866 8650124 7518359 5-6 20: 57 41 56 55 98 43 44 70 82 69 68 95 96 81 67 39 42 71 54 83 0.990 16.82 85.2 81 99 99 99 124 16.8 0.453 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9554 1115.6 >10 scans 77% TIC 0.45% 0.0902% 2214 1.2 181 95791 3573958 3436841 1-0 0.965 16.97 90.9 80 97 94 99 128 43.1 5.708 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0416 1119.2 9.8 scans 76% 91 m/z 0.14% 0.201% 2228 1.5 224 298098 7995042 7074679 8-3 20: 91 92 122 65 77 51 63 103 93 89 78 39 104 90 123 50 64 74 109 66 0.953 17.05 93.2 82 100 97 100 122 76.7 11.779 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1012 ? Nicotine 17.6302 1144.1 10.9 scans 4.1% 78 m/z 10% 0.000841% 2329 1.7 17 4036 33298 29351 1-2 14: 78 133 132 98 50 95 71 87 70 105 51 111 59 39 0.227 25.78 -11.2 76 100 100 100 162 0.0 0.000 -8.148 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0623 1162.3 >20 scans 66% TIC 0.21% 0.245% 2401 2.0 221 201579 9739360 8211357 5-1 0.965 18.13 -169.4 80 99 94 99 355 89.0 16.223 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN M4942-N1002 ? Pyranone 18.1219 1164.8 >15 scans 17% 44 m/z (73) 1.5% 0.0393% 2411 1.1 92 28222 1556880 1340100 7-0 5: 44 145 97 112 156 0.839 20.04 -225.7 70 95 82 96 144 40.2 18.911 -1.920 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1018 ?? Pyranone 18.1467 1165.9 >6 scans 22% 43 m/z 0.88% 0.0327% 2416 0.9 101 49850 1298697 1234737 1-0 4: 43 145 53 41 0.823 18.22 122.4 69 91 77 90 144 39.0 14.820 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7040 1189.4 8.6 scans 6.5% 98 m/z (109) 2.6% 0.0322% 2509 1.2 99 16541 1275939 1184683 1-1 10: 98 111 95 107 125 70 91 81 100 71 0.874 18.71 138.6 72 99 90 97 153 4.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 19.4927 1222.8 15.8 scans 88% 60 m/z (59) 0.12% 1.03% 2644 0.1 449 358833 40990897 39257626 0-4 20: 60 69 85 73 55 41 101 115 57 97 87 88 43 45 56 82 108 83 42 98 0.981 22.03 -86.3 76 92 93 98 175 0.0 0.000 -2.541 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 19.4927 1222.8 16.7 scans 92% TIC 0.12% 1.01% 2644 0.1 459 362702 40378396 38855535 0-2 0.990 19.87 154.5 77 95 91 99 144 6.7 0.000 -0.378 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.7660 1234.3 12.2 scans 66% 105 m/z 0.25% 0.172% 2690 0.2 203 169359 6849176 6263036 1-2 20: 105 122 77 51 50 82 106 78 74 76 123 67 75 39 52 124 45 142 94 53 0.924 20.03 163.6 75 95 91 96 122 100.4 24.402 -0.263 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8640 1238.4 >11 scans 50% TIC 0.42% 0.0802% 2706 0.6 167 104231 3179463 3085954 1-0 0.792 19.81 170.9 68 93 90 96 144 2.6 0.000 0.050 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3150 1257.5 9.1 scans 39% 71 m/z (132) 2.5% 0.0200% 2783 0.9 71 17377 792265 686711 3-7 8: 71 85 74 99 98 170 72 75 0.874 20.32 -0.2 88 96 88 94 170 10.1 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1034 ? Decanal 20.5252 1263.9 8.6 scans 79% TIC 0.60% 0.167% 2818 0.9 223 71972 6632880 5919938 2-3 0.954 20.57 -143.1 77 97 95 97 138 11.9 0.284 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9567 1276.8 11.0 scans 76% 94 m/z (137) 0.084% 0.430% 2892 1.3 310 519475 17034478 15962139 2-4 19: 94 138 77 66 51 65 88 45 139 50 63 87 99 71 76 144 62 38 74 0.965 20.98 191.8 76 96 95 100 152 6.2 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9998 1278.1 9.0 scans 42% 137 m/z (69) 0.40% 0.179% 2898 0.9 223 108211 7128645 6659890 2-2 16: 137 152 109 123 81 67 91 41 93 119 53 124 105 121 80 153 0.635 21.00 192.8 73 99 57 96 155 2.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1024 ?? Hexadecane 21.0818 1280.6 8.9 scans 10% 71 m/z (129) 10% 0.00442% 2913 1.5 34 4170 175329 157917 1-1 6: 71 57 85 144 115 140 0.556 33.32 13.6 65 84 73 80 226 0.0 0.000 -12.237 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2023 1284.2 11.9 scans 17% 281 m/z 2.1% 0.0115% 2933 2.6 48 20028 456696 388875 7-3 14: 281 282 283 265 193 136 251 121 207 134 191 249 208 284 0.639 12.25 131.1 74 97 60 96 281 37.3 61.569 8.951 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2790 1286.5 8.1 scans 8.4% 56 m/z (45 125) 2.1% 0.0334% 2946 1.3 98 20319 1326043 1195128 2-3 4: 56 71 70 96 0.730 16.82 -4.9 65 75 67 80 124 8.0 0.661 4.464 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4337 1291.1 7.0 scans 13% 281 m/z (94) 4.0% 0.00838% 2973 1.1 53 10739 332337 296769 1-7 11: 281 147 73 369 282 370 148 207 74 371 129 0.697 21.56 -147.6 72 98 69 98 369 13.3 6.182 -0.124 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0069 1308.3 8.0 scans 24% 175 m/z (98) 0.69% 0.0264% 3069 1.1 90 63099 1049656 949050 3-3 6: 175 190 176 147 128 159 0.912 22.01 207.9 74 97 81 97 190 27.1 8.979 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9136 1335.5 8.9 scans 50% 69 m/z (85) 0.23% 0.242% 3223 1.0 252 188061 9612430 8550525 6-2 14: 69 109 43 86 110 128 127 95 67 111 188 100 114 170 0.964 22.91 221.9 75 98 96 99 127 33.4 1.759 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.4426 1351.4 >21 scans 87% 60 m/z 0.089% 1.44% 3313 0.1 469 491253 57399279 52111410 1-6 20: 60 73 57 115 41 55 43 129 69 98 87 61 45 39 70 56 42 74 101 96 0.985 25.35 202.2 77 95 94 99 162 0.0 0.000 -1.911 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.4426 1351.4 >21 scans 84% 60 m/z (71) 0.084% 1.52% 3313 0.1 461 518007 60379015 54816639 1-6 20: 60 73 57 115 41 55 43 129 69 98 87 61 45 39 70 56 42 74 101 96 0.994 22.70 -123.9 74 94 93 98 158 32.6 0.499 0.747 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1006 ? Tridecane 23.8298 1363.0 9.1 scans 34% 57 m/z (99) 2.6% 0.0249% 3378 0.8 82 16730 986568 920763 1-1 14: 57 70 112 111 84 56 83 184 98 141 126 54 120 86 0.794 23.86 -1.0 74 87 82 87 184 9.1 1.223 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0831 1371.4 7.2 scans 74% 73 m/z 0.12% 0.277% 3421 1.1 318 347120 10997464 10263224 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 207 344 327 75 432 148 311 45 191 0.917 24.17 -152.4 80 99 92 99 429 95.8 9.081 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5365 1386.5 8.4 scans 40% 57 m/z (73) 1.3% 0.0393% 3498 0.8 105 33298 1559437 1422343 2-1 9: 57 85 113 84 56 155 99 127 197 0.913 24.54 249.2 71 97 91 95 169 12.2 1.337 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7017 1392.0 8.4 scans 56% TIC 0.79% 0.0417% 3526 0.8 134 55525 1653249 1536148 1-2 0.817 24.70 252.4 73 96 86 97 170 5.1 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2106 1409.0 9.2 scans 38% TIC 0.88% 0.00799% 3612 0.7 78 49639 0.0110% 316591 277684 435756 0-1 0.927 25.24 -150.9 78 99 92 99 145 28.4 13.363 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4957 1418.6 12.9 scans 90% 84 m/z (129) 0.025% 2.18% 3660 2.0 598 1718435 86499597 78202600 3-1 20: 84 133 162 161 42 119 85 92 118 82 130 65 51 134 78 117 39 63 55 163 0.980 25.89 261.6 74 95 94 95 162 154.0 6.622 -0.396 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7927 1428.5 7.7 scans 57% 93 m/z (85) 0.65% 0.0663% 3710 1.1 146 66585 2629628 2405838 1-2 18: 93 121 136 43 91 79 194 77 94 123 137 107 108 122 109 92 150 135 0.946 25.78 273.2 73 95 91 98 194 20.7 2.013 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0973 1472.1 6.6 scans 59% 221 m/z 0.74% 0.0464% 3932 1.0 137 59059 1840257 1740163 1-2 19: 221 73 147 281 222 267 355 283 223 148 443 356 74 75 207 133 268 131 149 0.867 27.12 297.2 77 98 85 97 355 26.1 3.634 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1681 1474.4 7.5 scans 76% 57 m/z (163) 0.38% 0.109% 3944 1.0 191 114148 0.207% 4348338 4108679 8200142 1-0 20: 57 71 43 85 41 56 55 70 99 198 42 113 98 112 69 127 84 126 141 39 0.993 27.21 -1.4 96 98 98 98 198 21.8 1.304 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1032 ? Myosmine 28.0271 1506.6 9.2 scans 34% 118 m/z 0.63% 0.0521% 4090 1.5 121 68864 2064555 1906326 2-4 13: 118 146 145 78 117 64 51 63 104 116 103 90 52 0.654 27.93 319.9 73 95 71 93 146 59.3 24.186 0.096 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3807 1519.8 8.7 scans 52% 80 m/z 0.42% 0.0568% 4149 1.1 134 103957 2250328 2028206 3-3 14: 80 171 104 53 103 172 78 77 91 51 39 65 167 168 0.866 28.39 326.4 74 95 86 94 171 61.3 20.946 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6605 1530.4 8.0 scans 83% 43 m/z (99) 0.091% 0.510% 4196 0.9 392 479705 20207848 17967888 7-8 19: 43 69 41 151 107 136 67 125 93 109 53 39 81 121 83 68 108 79 91 0.994 28.67 333.0 78 99 99 99 194 24.8 0.398 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0926 1546.6 7.6 scans 76% 71 m/z 0.071% 0.710% 4270 1.0 496 610505 0.771% 28139377 26048410 30542558 2-1 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 69 183 97 220 42 127 140 0.863 29.10 342.7 71 94 91 93 227 9.5 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0926 1546.6 7.6 scans 87% 71 m/z (166) 0.071% 0.876% 4270 1.0 531 609980 0.952% 34736094 32154941 37712730 2-1 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 69 183 97 220 42 127 140 0.987 29.09 342.9 73 95 96 96 220 51.1 0.925 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5118 1562.4 7.9 scans 82% 73 m/z 0.048% 1.03% 4341 0.9 586 913747 40978587 37477560 2-3 20: 73 281 147 327 282 415 341 503 283 328 399 221 148 504 74 325 207 417 383 400 0.980 29.61 -150.7 80 99 97 99 503 97.5 2.768 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6652 1568.1 8.4 scans 87% 177 m/z (126) 0.034% 1.30% 4367 0.8 629 1271681 51625271 48899577 2-2 20: 177 43 157 178 135 91 77 93 159 105 79 121 107 133 149 130 122 119 95 41 0.983 29.68 355.6 73 94 95 95 192 65.3 1.078 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7627 1571.8 8.0 scans 75% 123 m/z 0.046% 0.409% 4383 1.0 372 940597 16217557 14756562 1-4 17: 123 43 135 124 107 91 95 79 109 77 39 97 93 81 67 53 125 0.952 29.77 357.8 78 99 95 99 193 30.4 0.669 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9368 1578.4 >10 scans 80% TIC 0.22% 0.208% 4413 0.7 274 198090 8268366 7967977 1-0 0.965 29.94 362.0 74 94 93 96 254 7.0 0.066 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3217 1592.8 8.2 scans 42% 57 m/z (153) 0.76% 0.0862% 4478 1.3 140 57564 3415390 2260540 0-5 19: 57 71 43 85 41 56 55 212 99 70 151 83 98 42 113 179 112 140 54 0.953 30.38 -2.1 82 82 90 95 212 17.3 1.543 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5041 1600.2 7.9 scans 88% 191 m/z 0.022% 0.912% 4509 0.9 559 1961288 36148211 33992393 2-2 20: 191 206 192 57 163 74 91 175 41 115 107 207 73 77 88 147 128 133 105 117 0.984 30.50 375.4 80 100 99 100 206 148.4 7.052 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8264 1613.8 8.7 scans 73% 124 m/z 0.12% 0.367% 4564 0.9 334 357714 14557815 13469685 2-5 17: 124 137 55 180 125 81 138 54 82 109 96 39 53 123 83 110 181 0.951 30.81 384.4 79 99 96 99 180 87.1 6.792 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8731 1615.7 8.5 scans 46% 162 m/z (124) 0.46% 0.111% 4572 1.1 180 94692 4398519 4070193 2-2 11: 162 161 147 115 163 148 103 118 104 128 205 0.756 30.88 -0.3 89 92 65 93 204 37.5 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9457 1618.8 8.7 scans 1.9% 172 m/z 14% 0.00146% 4584 1.1 20 3023 0.00172% 58195 58195 68136 0-0 2: 172 171 0.897 30.93 0.8 70 83 67 83 171 14.5 52.679 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2113 1630.0 9.6 scans 80% 111 m/z 0.073% 0.729% 4629 0.7 449 599326 28886149 26328218 3-2 20: 111 109 137 180 67 43 110 124 152 95 41 81 79 39 112 77 69 53 93 65 0.962 31.18 395.0 78 97 93 98 180 99.4 4.902 0.033 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5059 1642.3 9.6 scans 50% 43 m/z (56) 0.74% 0.0654% 4679 1.2 132 59219 2592307 2510239 1-1 17: 43 98 151 85 55 82 127 126 58 67 107 68 166 111 39 81 84 0.899 31.52 -0.4 94 99 90 98 166 26.3 3.998 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7963 1654.5 8.6 scans 25% 193 m/z (168) 1.7% 0.0226% 4728 0.9 82 25461 898593 849120 1-2 4: 193 208 194 175 0.766 31.80 0.0 70 77 54 87 208 15.5 3.564 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9185 1659.7 8.0 scans 48% 83 m/z (135) 1.0% 0.0745% 4748 0.9 149 43735 2954899 2720468 3-2 11: 83 82 55 71 97 70 210 111 155 127 126 0.859 31.92 -0.0 78 85 89 86 219 3.5 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0567 1665.5 6.8 scans 66% 221 m/z (123) 0.25% 0.146% 4772 1.0 235 174057 5806212 5570321 1-3 20: 221 73 147 207 295 222 341 355 223 148 281 296 325 267 74 356 342 208 297 343 0.954 32.08 -0.9 95 97 92 98 355 39.0 2.755 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2332 1672.9 8.3 scans 53% 57 m/z 0.57% 0.0693% 4801 1.1 163 76034 2746053 2564739 1-1 19: 57 71 43 85 41 149 56 183 105 99 113 55 182 70 77 69 42 162 140 0.860 32.24 -0.2 88 93 87 91 226 7.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4398 1681.6 8.7 scans 49% 57 m/z 0.62% 0.0641% 4836 0.9 152 70760 2542132 2366690 1-2 20: 57 85 71 56 43 197 41 55 99 113 84 69 141 70 42 72 198 100 135 58 0.821 32.44 -0.1 85 86 78 85 226 6.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6718 1691.3 8.7 scans 75% 205 m/z (220) 1.0% 0.204% 4876 1.0 245 42422 8092222 7634347 2-1 20: 205 119 91 105 159 93 43 107 79 147 162 77 41 131 187 106 67 146 133 121 0.966 32.67 -0.2 93 95 93 98 220 12.4 0.255 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8737 1699.8 >9 scans 45% TIC 1.0% 0.0527% 4910 0.6 150 42863 0.123% 2090680 1969455 4872548 2-0 0.789 32.87 0.3 73 82 77 85 186 2.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9286 1702.1 8.1 scans 54% 71 m/z (123) 0.17% 0.119% 4920 0.8 185 251197 4740930 4191014 3-6 12: 71 43 159 111 243 155 72 173 143 89 244 215 0.967 32.93 -0.2 95 97 93 100 243 28.6 2.392 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0833 1708.6 7.3 scans 38% 83 m/z (179) 3.1% 0.0319% 4946 1.0 108 14082 1266176 1247370 0-1 19: 83 97 55 111 69 43 56 57 70 41 84 68 110 194 125 85 151 98 71 0.888 33.09 -0.1 81 85 91 98 224 5.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3046 1717.9 7.4 scans 68% 57 m/z (105) 0.37% 0.144% 4983 0.6 202 116049 5706015 5045508 4-9 18: 57 71 43 85 41 99 55 56 70 226 113 42 84 98 112 141 72 155 0.956 33.37 -2.9 92 96 96 98 226 22.3 1.212 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8879 1728.2 >10 scans 33% TIC 1.8% 0.0103% 5082 1.0 89 23900 0.0336% 410554 390778 1331038 0-1 0.757 33.90 -0.1 86 92 76 89 197 16.5 3.468 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2698 1733.6 7.9 scans 27% 57 m/z (173) 1.5% 0.0260% 5147 1.0 93 28078 0.0292% 1032130 1022730 1156735 0-2 13: 57 71 43 98 210 182 169 127 162 141 212 183 159 0.861 34.27 0.0 87 94 90 95 211 17.3 3.436 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3543 1734.8 8.8 scans 93% 73 m/z 0.017% 3.81% 5161 1.0 1076 2576760 151262253 138193088 2-3 20: 73 221 147 356 357 282 222 402 267 74 403 283 207 148 358 223 385 325 149 133 0.990 34.39 451.8 81 100 99 100 415 128.7 1.430 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8708 1742.2 19.4 scans 91% 91 m/z 0.018% 3.78% 5248 0.2 780 2404360 149868996 142911436 1-1 20: 91 155 199 65 90 92 44 89 120 137 63 106 77 39 200 64 51 156 107 154 0.995 34.79 453.2 80 99 99 99 199 219.9 7.935 0.085 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9068 1742.7 11.2 scans 38% 83 m/z (91 85) 1.0% 0.100% 5255 1.2 146 42140 3989071 3666499 4-1 17: 83 55 56 67 84 82 54 159 125 112 167 124 151 153 152 224 220 0.797 34.90 0.0 79 85 76 96 224 19.1 1.714 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3513 1749.1 8.0 scans 80% TIC 0.20% 0.402% 5330 0.9 373 211766 0.421% 15943220 14308619 16677583 5-4 0.932 35.35 451.7 77 100 96 99 196 36.8 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6990 1754.1 8.9 scans 44% 123 m/z (111) 0.67% 0.0772% 5389 1.0 145 65007 3060408 2762623 2-2 15: 123 193 209 181 175 195 105 124 121 77 194 131 133 106 167 0.931 35.70 451.4 72 95 88 95 224 12.9 0.793 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5042 1765.6 7.5 scans 23% 221 m/z 0.23% 0.192% 5525 1.1 261 190398 7613227 7313813 1-3 20: 221 73 147 207 295 281 222 369 341 223 296 148 74 282 355 342 297 208 370 283 0.851 36.58 449.1 77 99 88 98 369 41.2 2.491 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1955 1775.5 8.1 scans 18% 209 m/z (85) 1.8% 0.0180% 5643 1.0 75 23655 713526 665979 2-2 15: 209 224 165 210 105 225 167 175 178 166 207 103 194 131 191 0.786 37.20 449.2 70 96 79 97 224 24.5 10.815 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0527 1787.7 8.1 scans 60% 57 m/z (195) 0.68% 0.0784% 5788 1.1 156 64114 3107424 2919796 2-1 19: 57 71 85 43 56 225 41 99 55 127 113 69 155 70 169 86 141 98 197 0.932 38.06 448.0 75 100 96 99 225 27.8 3.204 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5544 1794.9 9.5 scans 93% TIC 0.022% 2.68% 5873 1.4 865 1949869 106517142 100205518 2-3 0.989 38.59 446.8 80 100 99 100 429 248.2 8.235 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1016 Octadecane 38.8343 1798.9 10.2 scans 50% 56 m/z (250) 1.2% 0.0513% 5920 0.4 113 35411 2034157 1806374 1-1 12: 56 58 98 140 131 168 99 254 114 87 163 182 0.933 38.91 -1.1 87 96 90 94 254 9.8 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1018 ? Neophytadiene 39.7628 1905.7 7.7 scans 93% 68 m/z 0.094% 1.09% 6077 0.8 623 465991 43484570 41992992 1-1 20: 68 95 82 123 57 69 43 55 83 81 67 41 97 71 96 109 124 111 79 56 0.992 39.94 536.6 79 99 98 98 278 32.1 0.266 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8844 1920.8 7.8 scans 69% 58 m/z 0.54% 0.122% 6098 1.0 212 79966 4849550 4317636 1-5 18: 58 43 71 59 85 55 109 69 95 41 110 124 81 56 123 96 82 250 0.928 39.88 552.5 76 96 92 95 250 21.9 1.062 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3042 1972.8 7.6 scans 51% 149 m/z 0.19% 0.0674% 6169 1.0 150 227324 2673759 2441762 2-6 16: 149 150 223 104 76 167 205 132 65 121 105 224 50 93 151 182 0.838 40.31 597.9 78 99 78 98 223 33.9 5.061 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN N406_R~1-N1110 ? Phytol 40.3845 1982.8 7.9 scans 56% 81 m/z (196) 0.99% 0.0969% 6182 1.3 170 44090 3840448 3450227 7-3 11: 81 82 95 123 79 67 124 109 96 278 138 0.897 40.66 -34.4 78 84 85 93 278 20.4 1.449 -0.278 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6023 2009.8 7.2 scans 77% 221 m/z 0.32% 0.141% 6219 1.1 227 135926 5617769 5317109 2-2 20: 221 73 147 295 207 281 222 369 296 223 148 282 74 370 208 283 341 325 355 401 0.947 40.63 629.7 76 95 96 99 369 36.8 2.623 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1254 Phytol 40.8473 2040.2 7.6 scans 68% 82 m/z (184) 1.3% 0.0798% 6261 1.1 162 32198 3162710 2939697 2-4 12: 82 81 95 68 123 67 96 79 124 109 137 80 0.962 40.87 -2.5 96 99 97 99 278 20.1 1.543 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BQLD_R~1-N1056 ? Homosalate 40.9937 2058.3 8.4 scans 35% 109 m/z (84) 2.5% 0.0254% 6286 0.8 88 17077 1009459 949052 1-1 18: 109 138 124 120 65 139 83 262 121 95 64 93 91 193 39 66 81 140 0.850 41.00 672.5 73 97 89 99 262 10.3 1.366 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2446 2089.4 8.1 scans 87% 79 m/z 0.081% 0.991% 6328 1.0 567 535185 39296428 36273843 2-8 20: 79 67 93 95 80 91 55 108 121 41 81 77 94 107 87 135 59 78 105 53 0.945 41.26 -1.6 98 99 92 99 264 40.0 0.499 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4488 2114.8 8.3 scans 84% 205 m/z 0.25% 0.474% 6363 0.7 390 173524 18809651 17174875 2-2 20: 205 57 217 175 189 220 177 55 232 41 91 261 203 191 77 192 161 206 67 163 0.958 41.49 -81.8 85 100 96 99 276 25.4 0.424 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0049 2148.3 7.8 scans 94% 74 m/z 0.027% 1.52% 6457 0.7 723 1570458 60411893 57329934 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 83 129 239 59 97 101 88 185 171 0.990 42.01 746.3 80 100 99 100 272 16.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3337 2166.8 8.0 scans 87% 73 m/z 0.11% 0.411% 6513 1.1 367 391675 16302284 15321349 2-3 20: 73 147 281 221 355 429 207 503 341 282 222 356 74 148 415 430 283 504 295 357 0.965 42.37 757.8 75 93 95 99 503 59.3 2.606 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2806 2219.9 12.3 scans 12% 263 m/z (241) 6.0% 0.00544% 6673 2.0 34 7252 215688 195724 3-0 13: 263 278 79 87 130 107 77 124 119 128 145 133 121 0.418 43.31 -1.5 78 88 32 83 278 12.1 12.381 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8527 2252.0 9.1 scans 41% 71 m/z (205) 2.9% 0.0231% 6770 1.1 80 14780 919006 843906 1-3 15: 71 57 85 43 127 267 41 99 239 245 126 128 189 84 68 0.868 43.94 -4.7 60 65 80 80 282 1.9 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1234 ? Thunbergol 45.1620 2327.3 8.7 scans 49% 137 m/z 2.8% 0.0401% 6992 1.0 109 15143 1591300 1446037 2-6 18: 137 81 95 93 257 71 79 123 107 121 41 80 163 105 91 77 136 94 0.636 44.90 15.1 79 83 50 80 272 9.9 0.000 0.261 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7925 2363.5 8.1 scans 80% 73 m/z (110) 0.40% 0.120% 7098 1.0 193 108296 4762445 4380718 2-1 20: 73 355 147 221 281 356 357 282 222 429 148 74 295 401 430 267 207 503 431 341 0.934 45.78 0.9 97 99 92 98 503 17.3 0.805 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1026 Methyl stearate 45.9141 2370.5 9.3 scans 86% TIC 0.17% 0.274% 7119 1.1 299 253372 0.375% 10860770 10398054 14855330 1-0 0.978 45.92 891.8 80 100 98 99 298 46.7 2.440 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1006 2381.3 7.8 scans 89% 79 m/z 0.12% 0.686% 7151 1.0 477 346627 27190248 25098682 2-4 20: 79 67 95 93 80 81 108 55 41 91 107 94 77 121 69 135 78 109 87 149 0.971 46.13 -1.9 96 96 96 99 292 33.2 0.486 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7618 2419.3 8.0 scans 75% 74 m/z (180) 0.59% 0.0775% 7263 0.9 156 73402 3073468 2813259 3-4 20: 74 87 75 43 143 55 298 199 255 41 88 69 57 59 101 83 97 129 269 98 0.941 46.76 924.2 77 100 95 99 298 27.3 3.079 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5103 2462.4 7.9 scans 36% 121 m/z (56) 6.4% 0.00799% 7389 0.7 50 6808 316729 295111 2-4 5: 121 92 120 139 306 0.679 47.50 949.6 63 94 72 92 168 6.0 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9330 2544.3 8.0 scans 76% TIC 0.63% 0.0683% 7631 1.2 151 69350 2706825 2563589 2-4 0.861 48.95 993.9 74 96 90 99 429 40.2 7.074 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3575 2626.2 7.9 scans 45% 74 m/z 2.8% 0.0113% 7872 1.0 62 15518 449550 399456 3-3 19: 74 87 43 326 143 97 55 283 69 75 85 41 83 199 111 88 101 71 84 0.632 50.36 1039.2 67 92 61 88 326 14.6 5.601 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8510 2712.2 8.8 scans 69% 73 m/z 1.1% 0.0391% 8125 1.2 107 36768 1552505 1423224 3-6 20: 73 147 221 355 429 281 222 356 503 207 295 401 296 341 357 282 504 267 149 505 0.811 51.86 1081.3 77 100 82 98 503 16.3 2.336 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6368 2872.5 9.7 scans 45% 73 m/z (148) 3.7% 0.0132% 8597 0.8 57 11561 523974 477744 3-5 16: 73 221 222 356 430 503 355 327 341 295 133 325 43 145 282 504 0.690 45.81 1396.0 67 95 75 93 503 8.3 0.000 8.825 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2461 774.8 10.3 scans 89% 77 m/z 0.048% 0.236% 61 3.1 303 963843 15321536 14177544 1-2 19: 77 45 78 79 62 76 63 59 75 61 47 46 92 81 96 64 53 65 48 0.990 4.37 20.8 100 100 99 100 77 258.0 72.701 -0.125 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.3105 828.5 >11 scans 65% TIC 0.98% 0.0124% 411 0.4 79 46974 0.0225% 808213 692863 1459887 0-13 0.941 6.03 -133.1 75 96 90 96 102 9.6 1.483 0.278 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5815 835.6 20.0 scans 74% 207 m/z 0.47% 0.0467% 457 2.8 111 98199 3034968 2806590 1-2 20: 207 208 96 209 177 191 163 193 119 67 147 97 134 103 135 39 89 115 117 165 0.865 6.53 -141.2 80 100 90 99 207 82.4 54.717 0.053 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6754 864.1 8.2 scans 86% 55 m/z 0.93% 0.0626% 642 2.1 168 49812 4063526 3567569 2-4 19: 55 41 69 83 39 42 57 98 70 97 56 43 53 80 54 79 67 51 68 0.964 7.71 8.8 100 100 97 99 98 34.1 4.130 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2197 982.4 10.4 scans 37% 281 m/z 0.33% 0.0531% 1412 2.5 134 136598 3447141 3228122 2-2 17: 281 43 282 71 99 265 108 249 69 193 207 125 251 205 93 163 195 0.528 12.22 36.1 93 100 85 99 281 97.1 52.347 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2274 1009.0 10.2 scans 87% 81 m/z 0.17% 0.123% 1582 1.9 213 259283 7990696 7452296 1-3 20: 81 110 53 39 41 79 67 68 82 77 65 51 52 54 55 50 40 95 109 63 0.968 13.22 45.4 91 96 94 98 110 58.1 7.414 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1016 Limonene 13.8992 1027.2 8.2 scans 73% 68 m/z 0.69% 0.0612% 1696 1.3 174 66754 3973292 3434612 3-5 20: 68 93 67 79 94 121 124 136 92 107 53 91 77 123 39 81 41 122 80 43 0.867 13.89 51.9 88 99 92 98 136 34.1 3.813 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0981 1032.6 14.0 scans 68% 108 m/z (83) 0.93% 0.0529% 1729 1.8 125 49636 3435716 3264992 1-3 10: 108 79 91 51 107 52 53 106 105 92 0.971 14.11 53.6 89 100 97 100 108 54.7 19.191 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4429 1041.9 9.5 scans 93% 91 m/z 0.046% 0.358% 1788 1.4 378 988067 23248638 21184336 2-5 19: 91 92 120 65 63 39 89 51 62 50 90 121 64 38 66 74 52 75 86 0.991 14.44 57.1 91 100 99 100 120 122.4 10.469 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1684 1061.6 11.1 scans 91% TIC 0.080% 0.304% 1911 1.6 336 578794 0.352% 19733766 18684080 22839120 2-0 0.985 15.17 64.2 90 100 98 100 123 119.0 12.561 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN 98-86-2 ? Acetophenone 15.2487 1063.7 >11 scans 74% TIC 0.28% 0.0722% 1925 999.0 182 165509 0.277% 4685736 4298247 17972830 0-3 0.968 15.29 -182.0 77 96 95 99 120 49.0 7.251 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4211 1068.4 8.9 scans 58% 95 m/z 0.29% 0.0761% 1954 1.7 184 155160 4940272 4607358 1-4 18: 95 81 124 43 79 53 109 39 41 65 82 96 66 51 63 125 52 80 0.774 15.43 66.7 87 100 80 99 124 58.8 10.260 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1002 Undecane 16.5988 1100.5 8.4 scans 47% TIC 2.2% 0.00869% 2153 1.0 81 20949 564393 505701 1-1 0.746 16.59 0.5 89 93 77 93 156 10.5 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1016 Nonanal 16.7706 1107.8 8.4 scans 81% 57 m/z (126) 0.51% 0.118% 2182 1.1 224 90590 7713817 6743318 3-4 18: 57 41 56 55 44 98 70 82 68 69 95 96 67 39 42 71 114 45 0.980 16.82 85.4 80 99 97 99 124 15.3 0.463 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9577 1115.7 8.9 scans 82% TIC 0.21% 0.162% 2214 1.3 268 216315 10527477 8650321 2-9 0.940 16.97 91.0 80 97 94 99 128 63.6 5.641 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0575 1119.9 11.9 scans 44% 91 m/z (124) 1.0% 0.0222% 2231 1.4 86 45209 1446514 1321404 2-2 13: 91 92 122 65 103 77 51 63 134 119 123 64 104 0.920 17.05 93.9 76 97 91 99 122 30.4 12.462 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1006 Contamination 18.13min 18.0563 1162.1 8.2 scans 83% 73 m/z 0.18% 0.143% 2400 1.5 265 253475 9318690 8757285 2-3 20: 73 355 267 356 268 357 269 251 74 193 358 155 191 59 323 253 162 170 177 45 0.927 18.13 -169.6 80 99 90 99 355 114.3 18.603 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.1555 1166.3 >8 scans 49% TIC 1.3% 0.00681% 2417 0.9 100 33967 442174 412152 0-1 0.920 18.22 122.8 73 93 82 93 144 48.4 23.269 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN M4942-N1002 ? Pyranone 18.1555 1166.3 8.6 scans 53% 144 m/z 1.2% 0.0203% 2417 1.1 105 36564 1318030 1211623 2-2 10: 144 43 44 101 72 45 115 145 146 116 0.938 20.04 -224.2 72 92 81 91 144 50.3 22.778 -1.886 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2617 1170.7 >7 scans 29% TIC 2.9% 0.00568% 2435 0.5 83 15494 368932 348581 1-0 0.774 12.25 17.6 79 80 30 87 281 31.1 13.901 6.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6998 1189.3 11.9 scans 42% 69 m/z (60) 1.2% 0.0639% 2509 1.0 155 37613 4146948 3963877 3-1 20: 69 98 43 111 82 67 39 83 125 70 107 110 95 126 53 71 80 58 65 84 0.920 18.71 138.5 72 96 92 98 153 6.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1266 ?? Octanoic acid 18.7370 1190.8 13.8 scans 60% 60 m/z (136) 0.74% 0.0947% 2516 0.2 170 62042 6150649 5691192 1-2 19: 60 85 73 101 115 57 87 88 97 45 42 108 83 89 56 109 61 86 84 0.935 22.03 -118.3 69 92 87 95 175 0.0 0.000 -3.297 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8184 1194.3 9.2 scans 64% 70 m/z (44) 2.7% 0.0275% 2530 1.5 109 16977 1789732 1631976 1-4 17: 70 83 55 41 69 81 94 67 96 57 39 68 93 66 53 111 54 0.941 18.83 141.6 67 87 91 99 122 7.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1171 1206.9 7.7 scans 26% 82 m/z (87) 4.0% 0.00395% 2580 1.1 46 11472 256660 235873 1-3 6: 82 81 54 43 39 38 0.862 19.12 149.8 70 97 82 96 97 7.4 2.580 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2417 1212.1 9.4 scans 21% 119 m/z (70) 4.9% 0.00413% 2601 1.0 42 9342 268540 240547 4-1 5: 119 91 134 63 120 0.567 13.76 12.6 73 78 58 80 134 15.4 13.304 5.485 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 19.5487 1225.1 16.8 scans 39% 122 m/z (55) 1.0% 0.0429% 2653 1.0 101 43753 2784425 2573844 2-1 10: 122 105 77 51 78 50 94 52 119 49 0.978 20.03 154.4 73 96 93 95 122 50.9 25.302 -0.480 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7943 1235.5 8.1 scans 65% 57 m/z 0.39% 0.0586% 2694 1.4 179 117612 3807181 3538595 1-4 20: 57 45 41 75 87 56 89 72 43 59 101 71 100 85 44 73 60 55 132 131 0.890 19.81 168.0 78 98 92 99 144 4.4 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3061 1257.1 10.2 scans 26% 57 m/z (83) 4.9% 0.00537% 2781 1.9 46 9397 348752 309903 3-1 6: 57 56 70 112 170 99 0.816 20.32 -0.6 86 95 75 91 170 7.4 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1034 ? Decanal 20.5209 1263.7 8.2 scans 80% 57 m/z (119) 0.85% 0.0839% 2818 1.0 200 54437 5446048 4862038 4-2 20: 57 41 55 43 82 70 71 68 83 112 44 67 56 69 81 96 84 42 39 54 0.979 20.57 -143.3 72 92 94 99 138 10.5 0.273 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5209 1263.7 8.2 scans 74% 57 m/z 0.85% 0.0708% 2818 1.0 193 54459 4594910 4102173 4-2 20: 57 41 55 43 82 70 71 68 83 112 44 67 56 69 81 96 84 42 39 54 0.953 20.56 185.0 78 100 98 99 128 16.9 0.773 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9383 1276.3 9.9 scans 63% 94 m/z (137) 0.28% 0.0712% 2889 1.4 167 163230 4621520 4337445 2-1 6: 94 138 66 139 45 143 0.963 20.98 191.3 77 98 96 100 152 5.3 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9891 1277.8 8.6 scans 78% 137 m/z (94) 0.36% 0.157% 2897 0.9 271 128403 10239688 9352817 3-3 18: 137 152 109 123 81 67 91 79 93 41 55 39 119 53 153 124 110 69 0.982 21.00 192.5 60 83 79 83 155 0.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4336 1291.1 6.7 scans 22% 281 m/z 1.9% 0.00969% 2972 1.0 80 24210 628935 561333 1-3 17: 281 147 73 369 282 283 148 370 249 265 207 371 191 266 74 251 154 0.836 21.56 -147.6 76 99 83 98 369 21.1 7.035 -0.124 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0027 1308.2 7.9 scans 10% 175 m/z 0.82% 0.00959% 3069 1.0 72 56462 622490 577625 2-4 7: 175 190 176 191 119 49 159 0.727 22.01 207.8 71 95 57 94 190 25.1 12.051 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8964 1335.0 8.4 scans 75% 43 m/z (83) 0.13% 0.228% 3220 1.0 320 341543 14826611 13106005 4-4 17: 43 69 109 86 41 71 110 127 128 67 70 39 95 58 42 53 59 0.908 22.91 221.4 76 99 89 99 127 45.8 2.057 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.4366 1351.2 >21 scans 85% 60 m/z 0.14% 0.564% 3312 0.1 385 324610 36603111 33396739 1-8 20: 60 73 57 55 115 129 41 43 98 87 69 61 101 39 45 83 42 70 56 74 0.969 25.35 202.0 77 95 94 99 162 0.0 0.000 -1.917 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.4366 1351.2 >21 scans 86% 60 m/z (89) 0.14% 0.616% 3312 0.1 386 326020 40031364 36524683 1-8 20: 60 73 57 55 115 129 41 43 98 87 69 61 101 39 45 83 42 70 56 74 0.987 22.70 -124.1 74 94 94 99 158 26.8 0.483 0.741 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0771 1371.2 7.6 scans 85% TIC 0.059% 0.458% 3420 0.8 498 784638 29772141 26074316 4-2 0.936 24.17 -152.6 80 99 92 99 429 152.2 9.345 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1006 ?? Tridecane 24.5429 1386.7 8.5 scans 56% 71 m/z 0.61% 0.0500% 3499 1.0 161 75028 3250106 2969702 3-3 15: 71 43 85 57 70 84 111 88 126 113 127 99 56 58 86 0.864 23.86 22.7 69 72 82 74 184 0.0 0.000 0.681 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6952 1391.8 9.0 scans 60% 43 m/z 0.85% 0.0333% 3525 0.9 135 54151 2162045 1960831 1-5 20: 43 83 142 55 41 69 82 58 85 56 113 111 71 39 70 67 68 127 128 108 0.869 24.70 252.2 72 93 80 98 170 4.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1032 ?? Dodecane 24.8670 1397.6 13.0 scans 35% 71 m/z (101) 2.6% 0.0155% 3554 1.8 75 17706 1006866 973303 1-1 15: 71 57 85 43 127 99 41 84 113 70 126 42 94 86 72 0.878 20.36 -2.6 67 73 84 72 170 2.0 0.000 4.509 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1946 1408.5 7.6 scans 51% 43 m/z 0.36% 0.0278% 3610 0.9 126 128101 1809488 1656568 4-2 10: 43 103 145 116 115 86 74 158 184 61 0.930 25.24 -151.4 79 100 95 100 145 46.2 13.414 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4614 1417.4 18.5 scans 93% 84 m/z 0.0077% 5.64% 3655 0.3 1201 5986114 365967450 343705488 0-7 20: 84 133 161 162 119 82 65 78 51 91 39 163 63 55 105 159 104 52 132 93 0.997 25.89 260.4 78 97 96 98 162 324.6 7.309 -0.431 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0140 1435.9 8.1 scans 14% 145 m/z (60) 2.2% 0.00790% 3748 1.0 63 20592 512582 458463 2-3 5: 145 160 117 168 146 0.813 27.08 -186.9 66 93 72 93 160 26.3 17.415 -1.063 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4732 1451.2 8.3 scans 31% 189 m/z (73) 3.6% 0.0121% 3826 1.1 79 12747 788353 762490 1-2 10: 189 204 154 107 174 148 156 190 116 171 0.751 45.98 -28.5 62 72 51 73 204 27.5 11.993 -19.502 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5081 1452.4 7.4 scans 34% 73 m/z (189) 1.8% 0.0142% 3832 1.4 87 24453 925513 852923 2-3 18: 73 267 355 268 356 281 357 269 251 237 193 490 75 297 192 89 74 207 0.788 18.09 410.8 67 90 79 98 355 35.9 16.832 8.416 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0813 1471.5 6.6 scans 76% 221 m/z 0.31% 0.0786% 3929 1.1 226 148254 5102348 4931662 2-1 20: 221 73 147 281 222 355 267 223 148 282 443 74 283 356 207 268 149 357 205 269 0.941 27.12 296.6 79 99 92 98 355 42.9 3.584 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1633 1474.3 8.3 scans 62% 57 m/z (163) 0.65% 0.0451% 3943 1.1 153 71204 0.0771% 2931267 2839115 5002546 1-0 19: 57 71 85 43 41 56 99 198 55 70 72 98 42 84 199 113 126 154 112 0.967 27.21 -1.5 94 97 96 98 198 16.6 1.176 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9715 1504.5 14.2 scans 81% 118 m/z (131) 0.12% 0.330% 4080 1.9 318 377186 21474916 20405383 1-3 17: 118 146 145 58 105 78 51 104 119 117 63 41 42 39 65 64 77 0.947 27.93 317.8 76 99 96 98 146 139.3 19.166 0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3771 1519.7 8.5 scans 62% 80 m/z 0.23% 0.0653% 4149 1.0 185 195368 4242301 4070277 1-2 18: 80 171 104 53 172 78 170 91 77 81 168 65 51 103 79 105 102 63 0.881 28.39 326.3 77 97 87 97 171 85.2 21.158 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6533 1530.1 8.3 scans 56% 43 m/z 0.11% 0.186% 4195 1.0 318 404731 12081119 10851224 8-4 19: 43 69 41 151 136 107 125 67 93 109 83 68 39 53 81 108 79 161 133 0.779 28.67 332.7 71 94 76 90 194 23.8 0.563 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0884 1546.5 7.5 scans 72% 71 m/z (156) 0.16% 0.228% 4269 1.2 351 279275 0.298% 14847067 14154346 19335392 1-0 20: 71 57 43 85 41 70 141 55 56 113 99 112 177 84 183 97 69 220 179 42 0.963 29.09 342.8 69 93 92 94 220 36.3 1.067 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0884 1546.5 7.5 scans 66% 71 m/z 0.16% 0.174% 4269 1.2 335 280662 0.227% 11292021 10765168 14728637 1-0 20: 71 57 43 85 41 70 141 55 56 113 99 112 177 84 183 97 69 220 179 42 0.886 29.10 342.6 69 92 89 90 227 7.7 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5288 1563.0 10.3 scans 88% 281 m/z 0.011% 4.23% 4344 0.5 1359 4132570 274624437 264937386 2-1 20: 281 73 147 415 341 221 416 503 325 342 207 265 133 45 59 284 384 193 297 311 0.973 29.61 -150.1 78 98 94 98 503 225.2 2.748 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6663 1568.2 8.7 scans 62% 43 m/z 0.025% 0.759% 4367 0.7 638 1800094 49257907 46210563 1-1 20: 43 178 135 91 77 105 79 159 149 133 119 122 192 95 41 109 65 162 39 131 0.721 29.68 355.7 70 94 54 90 192 78.6 1.519 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7702 1572.1 8.0 scans 81% 123 m/z 0.022% 0.577% 4384 0.8 561 2088878 37459287 34498497 1-3 20: 123 43 135 124 107 95 91 79 109 41 77 55 39 53 81 93 67 125 105 97 0.977 29.77 358.1 78 98 97 98 193 46.1 0.674 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9391 1578.4 8.7 scans 82% TIC 0.11% 0.287% 4413 0.7 391 416529 18629974 17555307 1-1 0.943 29.94 362.0 77 97 93 99 254 10.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.1681 1587.0 8.4 scans 57% 57 m/z (110) 0.44% 0.0941% 4452 1.2 213 103380 0.148% 6108328 5706705 9602812 1-0 20: 57 85 71 43 99 41 113 55 84 70 56 169 69 183 141 86 83 112 42 72 0.984 30.38 -7.9 80 80 94 83 212 0.0 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5123 1600.6 8.5 scans 88% 191 m/z 0.016% 0.850% 4510 0.8 664 2785519 55196858 51410684 2-3 20: 191 206 192 57 163 74 175 91 41 107 207 77 88 128 147 161 133 105 117 121 0.992 30.50 375.8 80 100 99 100 206 178.7 7.250 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8340 1614.1 8.3 scans 30% 124 m/z (168) 0.83% 0.0278% 4565 1.0 117 55675 1807615 1652928 3-4 5: 124 137 180 138 54 0.979 30.81 384.7 69 92 83 92 180 34.7 8.864 0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8889 1616.4 9.3 scans 44% 162 m/z (172) 0.58% 0.0576% 4574 1.1 162 79804 3740925 3606477 1-2 19: 162 147 161 163 91 119 148 145 77 132 65 115 195 51 149 164 133 131 78 0.831 30.88 0.4 88 94 82 93 204 20.1 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2408 1631.2 11.4 scans 68% TIC 0.040% 0.960% 4634 0.5 610 1136137 1.10% 62333630 57936528 71372251 2-0 0.849 31.18 396.2 75 97 84 98 180 140.4 5.301 0.063 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5046 1642.3 9.9 scans 41% 98 m/z 0.52% 0.0412% 4679 1.5 151 88454 2673697 2458174 2-1 18: 98 85 55 41 127 99 183 82 81 84 83 68 44 123 67 107 39 58 0.693 31.52 -0.4 88 93 73 91 166 28.4 3.552 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9114 1659.4 7.9 scans 51% 71 m/z (109) 0.80% 0.0670% 4748 0.6 174 57411 4349294 3860389 2-1 20: 71 57 85 83 43 55 69 41 99 70 113 111 84 127 56 97 112 126 68 125 0.742 31.92 -0.3 78 88 87 92 219 10.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0377 1664.7 6.7 scans 57% 221 m/z 0.25% 0.0878% 4768 1.0 238 182099 5697128 5350865 2-1 20: 221 73 147 207 295 222 341 355 223 281 296 325 148 267 74 356 342 297 208 131 0.798 32.08 -1.7 96 96 93 98 355 40.6 2.922 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2290 1672.7 8.6 scans 65% 57 m/z (168) 0.41% 0.108% 4801 1.0 206 111572 7047724 5460876 1-6 20: 57 71 43 85 41 183 99 56 55 182 113 149 105 42 70 69 155 141 127 83 0.968 32.24 -0.4 91 95 96 97 226 9.0 0.189 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4326 1681.3 >13 scans 41% TIC 0.71% 0.0338% 4836 1.3 144 65190 2194548 2023613 1-1 0.672 32.44 -0.4 83 89 67 86 226 5.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 32.5625 1686.7 7.9 scans 43% 71 m/z (167) 0.96% 0.0333% 4857 1.3 131 48031 2163838 2017990 1-1 16: 71 85 57 43 99 113 127 169 155 86 126 141 58 128 100 166 0.949 24.54 549.4 70 92 95 95 169 18.4 1.974 8.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6776 1691.6 9.1 scans 60% 205 m/z (191) 1.5% 0.0960% 4877 0.9 204 29783 6234965 5742779 2-3 16: 205 91 105 93 159 107 187 77 106 119 131 121 145 117 160 149 0.879 32.67 0.1 90 95 89 97 220 12.2 0.356 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9279 1702.1 7.8 scans 60% 71 m/z (177) 0.12% 0.110% 4920 0.9 234 377201 7167906 6280791 5-6 11: 71 43 159 111 56 243 155 72 143 173 244 0.972 32.93 -0.2 93 94 88 99 243 35.4 2.282 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1212 ? Hexadecene 33.0790 1708.4 7.5 scans 34% 69 m/z (216) 3.3% 0.0191% 4945 1.3 103 13770 1242217 1142026 0-2 20: 69 83 55 97 111 57 41 43 70 56 85 84 125 98 86 151 341 141 68 155 0.901 33.09 -0.3 77 78 91 94 224 4.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3028 1717.8 7.2 scans 58% TIC 0.37% 0.0485% 4983 0.8 197 125277 3148892 2862714 3-1 0.880 33.37 -3.0 87 95 85 93 226 24.0 1.472 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8878 1728.2 7.8 scans 47% TIC 0.82% 0.0212% 5082 0.8 145 56033 0.0330% 1379578 1274639 2141168 0-1 0.854 33.90 -0.1 90 96 87 94 197 27.5 3.596 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2662 1733.6 8.3 scans 14% 57 m/z (173) 2.4% 0.00995% 5146 1.1 75 19064 645900 591276 0-1 19: 57 182 71 210 43 211 85 127 98 141 212 183 162 70 169 79 181 139 137 0.712 34.27 -0.0 83 96 81 93 211 15.1 4.038 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3855 1735.3 24.6 scans 88% TIC 0.0093% 9.28% 5166 1.1 1442 4961447 10.5% 602712830 569590211 681280577 2-0 0.990 34.39 452.3 80 99 97 99 415 177.7 1.522 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9539 1743.4 >22 scans 90% 91 m/z 0.016% 3.02% 5263 0.1 869 2883123 196206045 192217826 0-1 20: 91 155 65 90 184 92 89 44 120 137 63 106 77 39 64 51 134 109 185 78 0.972 34.79 454.4 80 100 99 100 199 245.7 8.001 0.168 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7149 1754.3 9.2 scans 44% 123 m/z (57) 0.24% 0.0922% 5391 1.1 203 185669 5982332 5723587 1-2 14: 123 193 109 125 79 80 77 105 175 210 149 124 194 131 0.873 35.70 451.6 72 97 81 95 224 16.8 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.9292 1757.4 8.8 scans 28% 55 m/z 0.29% 0.0834% 5428 1.2 220 155004 0.113% 5414447 5126151 7331877 1-0 19: 55 97 83 69 70 56 111 41 82 84 68 113 67 98 127 154 220 112 96 0.774 34.90 14.7 70 75 77 77 224 2.7 0.000 1.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4858 1765.3 6.7 scans 19% 221 m/z 0.56% 0.0437% 5522 1.1 167 81469 0.0501% 2841193 2598027 3250682 2-2 20: 221 73 147 295 207 222 281 223 148 282 341 328 208 297 370 355 369 327 296 371 0.867 36.58 448.8 76 99 86 98 369 27.5 2.700 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2054 1775.6 8.2 scans 13% 209 m/z 0.94% 0.0158% 5644 0.8 94 49193 1028325 987489 2-1 12: 209 224 181 165 167 152 178 210 225 194 166 164 0.734 37.20 449.3 73 94 63 93 224 36.0 14.658 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1016 Octadecane 37.2999 1777.0 9.1 scans 60% 71 m/z (91) 0.41% 0.125% 5660 1.1 229 111353 0.182% 8155401 7358697 11808863 0-5 19: 71 85 57 43 99 113 127 69 84 41 55 169 70 72 211 155 111 141 56 0.972 38.91 -23.0 80 85 94 85 254 4.2 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5868 1795.4 17.9 scans 86% TIC 0.013% 6.33% 5878 0.6 1382 3344109 7.36% 410996841 392215846 477545242 2-0 0.996 38.59 447.3 80 99 97 99 429 415.8 9.065 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.6264 1795.9 17.1 scans 49% 221 m/z (429) 0.016% 1.02% 5885 1.2 1031 2768965 4.02% 66758528 65072165 260833135 0-1 20: 221 147 207 222 295 267 223 148 283 208 191 265 133 131 205 296 268 279 249 59 0.903 32.10 547.1 62 90 85 86 355 132.4 0.000 6.524 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3631 1856.2 8.8 scans 17% 71 m/z (225) 3.8% 0.00919% 6009 1.0 66 11913 596813 536630 2-0 18: 71 141 57 70 56 99 169 98 55 224 72 182 83 197 111 210 168 187 0.815 36.21 5.3 65 81 75 80 240 3.3 0.000 3.152 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4481 1866.7 7.8 scans 32% 74 m/z 0.84% 0.0266% 6024 1.1 123 55010 1726950 1613067 3-3 16: 74 87 143 75 213 73 211 256 102 101 60 129 59 229 199 228 0.738 39.45 505.2 70 98 76 96 256 18.6 2.302 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8059 1911.1 9.7 scans 95% 95 m/z 0.026% 3.27% 6085 0.5 1231 1754125 212223552 204400240 2-1 20: 95 68 82 123 69 57 81 83 55 43 67 41 97 71 109 96 124 111 79 110 0.998 39.94 542.0 80 99 100 99 278 68.0 0.305 -0.130 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8980 1922.5 7.2 scans 71% 58 m/z (163) 0.33% 0.145% 6100 1.0 286 139640 9460998 8787086 0-4 12: 58 43 71 59 109 55 95 110 124 83 123 250 0.986 39.88 554.2 77 99 99 99 250 29.3 1.049 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3153 1974.2 8.7 scans 57% TIC 0.084% 0.107% 6171 0.8 245 549253 0.141% 7005259 6477030 9148625 2-0 0.852 40.31 599.3 77 98 85 98 223 57.6 5.509 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N406_R~1-N1110 ? Phytol 40.3885 1983.3 7.7 scans 20% 82 m/z (355) 1.6% 0.0283% 6183 1.5 109 27528 1838778 1485840 5-2 11: 82 81 95 123 79 124 109 96 278 279 110 0.766 40.66 -33.9 70 83 54 81 278 15.5 2.018 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6010 2009.7 7.1 scans 36% 221 m/z (82) 1.2% 0.0237% 6219 1.2 116 37815 1537734 1404397 2-4 19: 221 73 147 207 295 222 369 296 281 223 297 355 282 283 148 370 74 371 208 0.841 40.63 629.6 72 97 87 98 369 19.1 2.721 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1254 ?? Phytol 40.8572 2041.4 16.1 scans 34% TIC 1.4% 0.0234% 6263 1.2 137 32961 0.0345% 1523916 1431029 2238493 1-0 0.662 40.87 -1.3 68 72 64 86 278 18.7 1.848 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BQLD_R~1-N1056 ? Homosalate 41.0001 2059.1 8.1 scans 32% 138 m/z 0.77% 0.0367% 6287 0.9 143 59667 2383857 2160320 3-1 10: 138 120 109 121 124 65 139 92 262 93 0.760 41.00 673.3 78 100 76 99 262 20.2 2.008 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1010 2071.6 9.8 scans 39% 109 m/z (155) 1.7% 0.0684% 6304 1.1 170 25791 4439021 4045733 1-2 19: 109 262 123 191 91 107 121 229 177 247 149 124 159 187 189 178 204 148 263 0.825 41.13 683.8 68 96 87 95 262 27.5 2.609 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2551 2090.7 8.3 scans 85% 79 m/z 0.072% 0.747% 6330 0.7 624 643841 48490574 45227706 2-2 20: 79 67 93 95 80 91 55 108 121 81 41 77 94 107 135 87 59 78 105 122 0.947 41.26 -0.3 98 98 93 99 264 44.3 0.505 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4647 2116.7 8.1 scans 69% 205 m/z 0.26% 0.261% 6365 0.7 379 172689 16974705 16268152 3-1 20: 205 57 175 217 189 220 177 41 91 261 191 203 232 109 161 163 115 135 218 119 0.840 41.49 -79.9 85 100 87 99 276 26.3 0.480 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8443 2139.3 9.1 scans 38% 71 m/z (74) 1.1% 0.0571% 6430 0.7 144 41724 3705445 3344042 1-1 20: 71 57 43 85 55 111 41 70 81 254 99 125 169 112 56 113 126 107 72 140 0.917 41.48 20.3 66 75 85 75 268 2.5 0.000 0.361 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0538 2151.0 10.6 scans 95% 74 m/z 0.010% 3.83% 6465 0.4 1267 4392112 248619394 242462312 2-1 20: 74 87 143 55 227 75 270 41 69 239 129 83 59 171 97 199 101 88 241 56 0.997 42.01 749.0 80 99 99 99 272 32.0 0.064 0.043 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.1701 2157.6 8.2 scans 15% 97 m/z (57) 5.2% 0.00814% 6485 1.1 67 8877 528736 524438 0-2 20: 97 109 120 96 93 91 107 81 137 175 121 95 136 187 105 155 79 94 189 149 0.816 42.40 -12.8 60 66 51 63 272 3.7 0.000 -0.229 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3077 2165.3 9.4 scans 92% 73 m/z 0.030% 1.36% 6508 1.0 781 1497391 88543297 83652113 2-3 20: 73 147 281 221 355 429 503 341 207 282 222 283 356 148 415 295 505 461 327 342 0.991 42.37 756.3 74 90 93 99 503 128.2 2.697 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.3036 2221.2 12.6 scans 8.9% 263 m/z (264) 3.5% 0.00549% 6677 1.4 41 12929 356558 318724 2-1 12: 263 278 146 129 140 116 221 187 154 148 210 179 0.440 43.31 -0.2 67 77 20 73 278 16.0 15.010 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8585 2252.3 8.7 scans 52% 71 m/z (205) 1.0% 0.0477% 6771 1.1 144 42800 3100800 2710139 1-4 19: 71 85 57 127 43 267 55 99 41 126 113 239 240 69 70 84 86 56 141 0.947 43.94 -4.4 61 63 85 82 282 5.3 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN N419_R~1-N1158 ?? Manool oxide 44.2764 2276.3 9.0 scans 20% 257 m/z (221) 7.8% 0.00994% 6842 0.9 67 5875 645300 585537 3-1 10: 257 275 107 177 192 123 149 191 122 151 0.798 43.83 838.7 68 95 74 93 275 19.7 8.750 0.449 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1637 2327.3 8.9 scans 78% 137 m/z 0.74% 0.144% 6992 1.2 267 62354 9360286 8533096 3-2 20: 137 81 95 93 257 69 107 123 55 67 109 121 41 43 91 80 119 105 94 133 0.939 44.90 15.1 83 83 83 83 272 19.4 0.527 0.263 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7883 2363.3 9.0 scans 74% TIC 0.38% 0.0846% 7098 1.3 206 120138 5492853 4979473 2-1 0.934 45.78 0.7 99 98 91 98 503 19.5 0.888 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9394 2372.0 8.6 scans 65% 74 m/z 0.034% 0.792% 7124 1.0 624 1343545 51437481 48540663 2-4 18: 74 87 43 143 75 255 298 57 199 83 129 97 101 71 88 56 185 213 0.833 45.92 893.3 79 99 81 98 298 114.5 3.368 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1307 2383.0 8.5 scans 88% 79 m/z (98) 0.042% 1.46% 7156 0.7 847 1093804 95258901 89820578 2-3 20: 79 67 95 93 108 80 81 91 107 77 121 109 78 149 122 68 105 66 53 65 0.994 46.13 -0.2 94 94 96 99 292 62.0 0.535 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4258 2400.0 9.6 scans 8.8% 177 m/z (191) 10% 0.00429% 7206 1.0 43 4526 278769 275060 2-0 5: 177 120 148 290 178 0.367 46.49 -4.0 73 85 31 80 290 6.9 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7623 2419.4 8.1 scans 86% TIC 0.11% 0.258% 7263 1.0 372 404208 16776788 15081817 3-4 0.968 46.76 924.3 79 99 97 99 298 67.5 3.299 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5008 2461.9 7.8 scans 61% 138 m/z (147) 0.99% 0.0357% 7388 1.2 138 46422 2320536 2205957 3-3 14: 138 120 121 43 139 93 41 56 70 111 306 168 65 84 0.947 47.50 949.1 76 99 95 98 168 16.9 1.496 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9335 2544.3 7.4 scans 56% 73 m/z 1.4% 0.0172% 7631 1.2 99 32453 1118951 1036141 2-4 20: 73 147 355 221 429 356 281 207 430 222 431 295 357 341 282 296 416 432 327 148 0.807 48.95 993.9 73 97 81 98 429 27.9 7.985 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3533 2626.0 7.6 scans 85% 74 m/z 0.23% 0.134% 7871 1.1 275 198926 8711666 8051335 2-4 20: 74 87 43 75 55 143 326 57 69 41 83 97 71 88 129 101 59 227 255 199 0.938 50.36 1039.0 78 99 95 99 326 52.0 3.570 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8563 2712.5 8.2 scans 45% 73 m/z 2.2% 0.0108% 8126 1.0 74 21056 702523 629077 3-4 18: 73 221 147 281 355 341 401 343 295 222 431 205 325 429 148 283 149 356 0.695 51.86 1081.6 72 95 68 93 503 13.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6255 2871.8 9.3 scans 40% 73 m/z (191) 4.7% 0.00659% 8595 1.4 52 9780 427987 377184 3-6 14: 73 281 221 147 355 295 356 429 357 503 369 430 431 223 0.716 45.81 1395.3 67 95 72 93 503 7.3 1.988 8.814 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.4279 779.5 5.7 scans 93% TIC 0.024% 0.353% 92 1.6 428 2107195 19397852 16836243 4-7 0.994 4.37 25.5 99 100 100 100 77 363.9 72.204 0.057 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 6.2585 827.2 12.5 scans 40% 57 m/z (45) 0.84% 0.0246% 402 0.2 76 60834 1353949 1245809 0-7 8: 57 87 59 102 58 40 68 38 0.583 6.03 -134.4 64 92 63 92 102 9.6 0.000 0.225 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5867 835.7 20.7 scans 59% 207 m/z 0.40% 0.0677% 457 3.3 116 126521 3714936 3272306 2-2 20: 207 208 209 191 133 193 177 163 161 119 147 38 210 192 103 81 194 104 88 97 0.680 6.53 -141.1 79 100 85 99 207 89.2 58.790 0.059 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6853 864.3 9.2 scans 75% 41 m/z 0.86% 0.102% 643 2.2 174 59363 5602848 4866010 2-3 20: 41 69 55 83 39 42 98 57 70 97 53 81 56 43 80 68 54 51 40 79 0.866 7.71 9.0 99 99 91 98 98 50.0 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7108 995.2 >8 scans 35% 93 m/z (42) 1.4% 0.0116% 1495 12.2 69 35751 639229 603682 0-2 6: 93 284 281 282 191 92 0.636 12.22 48.9 85 97 70 97 281 47.4 47.590 0.491 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1022 ? Octanal 13.2155 1008.7 7.9 scans 66% 41 m/z (45) 1.9% 0.0487% 1580 1.3 133 26371 2673194 2358741 1-4 19: 41 57 84 43 56 55 44 69 82 42 68 85 100 39 81 71 95 54 83 0.955 12.96 -166.1 76 99 97 99 110 13.6 1.045 0.261 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.5077 1016.6 10.7 scans 75% 81 m/z 0.19% 0.145% 1630 1.8 198 264813 7974204 7242901 2-3 20: 81 110 53 39 67 79 41 82 68 77 65 51 66 54 50 52 55 40 80 63 0.911 13.22 53.0 90 98 89 97 110 55.2 7.764 0.286 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1024 ? p-Cymene 13.9794 1029.4 8.2 scans 39% 119 m/z 1.3% 0.0111% 1709 1.3 66 38044 611469 562633 2-4 8: 119 91 117 92 120 115 105 78 0.835 13.76 -170.1 75 96 78 95 134 26.1 15.481 0.222 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1016 ? Limonene 14.1453 1033.8 9.0 scans 36% TIC 1.4% 0.0328% 1738 1.6 107 35535 1801338 1503507 2-7 0.470 13.89 58.5 71 97 60 95 136 22.1 4.289 0.253 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.3419 1039.2 15.3 scans 58% 108 m/z 1.0% 0.0506% 1771 1.5 113 48871 2779662 2561373 2-2 20: 108 79 77 107 110 51 91 39 50 78 80 65 63 74 105 90 106 62 53 85 0.924 14.11 60.2 87 97 89 97 108 52.8 21.761 0.233 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.6784 1048.3 9.6 scans 90% 91 m/z 0.025% 0.875% 1828 1.3 519 2046209 48009182 43919405 2-5 19: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 66 38 61 52 75 0.988 14.44 63.5 90 100 100 100 120 168.7 10.581 0.236 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.2085 1062.7 8.4 scans 47% 70 m/z (109) 3.5% 0.0187% 1918 1.4 83 14726 1026524 967556 1-2 13: 70 83 55 41 69 39 93 67 42 84 98 97 68 0.858 18.83 10.0 68 72 66 80 122 0.0 0.000 -3.622 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.3732 1067.1 >13 scans 86% 105 m/z 0.099% 0.307% 1946 1.2 304 518540 0.565% 16866802 15594254 30980783 3-0 20: 105 77 123 51 46 106 50 78 74 75 76 79 52 93 62 53 38 49 64 39 0.980 15.17 69.7 88 100 98 100 123 110.2 13.111 0.203 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN 98-86-2 Acetophenone 15.4612 1069.5 10.6 scans 75% 105 m/z 0.096% 0.287% 1960 1.2 308 534919 0.435% 15756018 14690878 23852461 0-3 20: 105 77 120 51 53 43 106 50 78 107 121 74 63 76 91 75 39 65 62 52 0.965 15.29 -176.2 80 99 98 99 120 107.2 12.086 0.168 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.3732 1094.2 8.2 scans 52% 132 m/z (126) 1.4% 0.0249% 2115 1.3 98 34549 1369278 1259270 1-1 17: 132 117 115 91 131 92 116 102 118 65 63 64 99 89 129 62 81 0.951 16.25 -180.4 76 98 95 100 132 46.6 22.662 0.119 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 16.4901 1097.4 10.3 scans 36% 95 m/z (74) 1.5% 0.0254% 2135 2.2 82 34407 1393819 1291702 1-2 10: 95 81 124 79 93 109 96 97 123 66 0.758 15.43 95.7 66 87 71 94 124 22.5 7.493 1.057 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1016 Nonanal 16.9210 1114.1 8.1 scans 89% 57 m/z 0.16% 0.402% 2208 1.2 394 304134 22058234 20155402 5-5 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 42 71 54 83 0.982 16.82 91.7 80 98 98 98 124 24.9 0.399 0.106 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1008 ? Maltol 17.1088 1122.0 9.6 scans 74% 71 m/z (81) 0.35% 0.139% 2240 1.4 205 144563 7649401 6709644 2-4 19: 71 43 95 55 110 58 128 69 41 42 85 53 84 70 72 57 54 68 44 0.953 16.96 97.4 77 99 97 99 156 8.5 0.170 0.151 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.1088 1122.0 9.6 scans 49% 71 m/z (97) 0.51% 0.0933% 2240 1.4 168 99609 5119899 4490900 2-4 19: 71 43 95 55 110 58 128 69 41 42 85 53 84 70 72 57 54 68 44 0.877 16.97 97.3 68 90 84 97 128 34.6 4.247 0.141 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.2020 1126.0 11.1 scans 43% 91 m/z (85) 0.71% 0.0423% 2255 1.3 106 72681 2322941 2072355 8-3 9: 91 92 65 134 119 93 122 105 104 0.900 17.05 100.0 70 90 90 98 122 34.5 10.670 0.150 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN M4942-N1008 ?? Phenylethyl Alcohol 17.2020 1126.0 11.1 scans 48% 91 m/z (81) 0.71% 0.0473% 2255 1.3 112 72652 2597516 2317311 8-3 9: 91 92 65 134 119 93 122 105 104 0.873 17.89 -198.2 65 83 86 97 122 33.3 8.891 -0.687 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1720 1167.0 >13 scans 49% TIC 0.41% 0.0927% 2420 0.8 161 123093 5083978 4251296 2-2 0.808 18.13 -164.7 79 99 92 99 355 66.0 16.720 0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN M4942-N1002 ? Pyranone 18.2971 1172.2 9.9 scans 58% 144 m/z (41) 0.29% 0.192% 2441 0.8 242 175360 10580933 9565768 6-3 11: 144 43 44 101 72 45 115 145 58 116 135 0.982 20.04 -218.3 77 99 97 99 144 104.9 18.866 -1.745 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1018 ? Pyranone 18.2989 1172.3 9.7 scans 59% TIC 0.27% 0.116% 2441 1.1 243 187326 0.145% 6377309 5960745 7950820 1-0 0.956 18.22 128.8 79 99 94 99 144 106.1 19.079 0.078 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 19.2133 1210.9 >15 scans 24% 87 m/z 0.64% 0.0401% 2596 0.0 180 80380 0.267% 2200040 2200040 14640476 0-0 7: 87 70 115 57 101 113 47 0.835 22.03 -98.2 60 81 61 90 175 0.0 0.000 -2.821 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 19.3101 1215.0 >20 scans 86% 60 m/z 0.17% 0.785% 2613 0.1 402 294851 43059606 38780132 1-15 20: 60 69 85 41 73 57 101 55 97 43 87 115 88 45 39 83 82 42 56 98 0.977 19.87 146.7 77 95 91 99 144 13.1 0.000 -0.561 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 19.6312 1228.6 13.5 scans 62% 105 m/z 0.37% 0.105% 2667 0.2 170 137236 5802602 5292744 1-4 18: 105 122 77 82 50 41 67 69 123 76 74 106 142 60 75 78 52 39 0.932 20.03 157.9 73 94 88 94 122 88.2 26.911 -0.398 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9240 1241.0 9.1 scans 78% 57 m/z 0.16% 0.228% 2717 1.2 291 305358 12556423 11512349 1-4 20: 57 45 41 75 87 56 89 43 100 72 101 59 135 44 85 71 58 60 55 132 0.951 19.81 173.5 71 88 88 100 144 5.8 0.000 0.110 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3869 1259.7 11.6 scans 26% 71 m/z (107) 4.1% 0.0109% 2795 1.3 55 12478 600956 535961 1-3 5: 71 57 85 170 70 0.776 20.32 2.0 86 97 82 93 170 6.9 0.000 0.067 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5982 1266.0 8.3 scans 89% 57 m/z 0.29% 0.302% 2831 1.0 348 174436 16571400 15363061 3-3 20: 57 41 43 55 82 70 71 68 83 56 44 67 81 69 112 95 96 42 84 39 0.984 20.56 187.3 71 86 92 100 128 29.9 0.741 0.035 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5982 1266.0 8.3 scans 90% 57 m/z (122) 0.29% 0.326% 2831 1.0 351 175591 17915134 16608814 3-3 20: 57 41 43 55 82 70 71 68 83 56 44 67 81 69 112 95 96 42 84 39 0.996 16.82 -25.4 69 71 86 73 124 3.7 0.000 3.783 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0256 1278.9 10.7 scans 62% 94 m/z (137) 0.19% 0.143% 2903 1.5 199 262406 7880314 7161736 1-3 10: 94 138 77 66 51 65 139 45 38 88 0.954 20.98 193.9 76 97 95 99 152 5.5 0.000 0.043 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2375 1285.2 7.4 scans 14% 281 m/z 0.87% 0.0178% 2939 1.7 82 58831 977360 879606 2-5 18: 281 282 283 251 193 265 249 267 207 191 177 284 252 250 266 269 179 194 0.766 12.25 132.1 76 97 66 96 281 60.8 55.259 8.987 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.0959 1311.0 9.1 scans 62% 138 m/z (73) 1.5% 0.0665% 3085 0.9 153 32711 3646707 3390024 1-2 19: 138 95 83 41 109 43 57 39 55 65 74 71 56 85 84 110 156 53 342 0.862 17.80 -10.4 61 63 64 76 128 3.0 0.000 4.301 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 22.9837 1337.6 8.8 scans 27% 71 m/z (109) 0.58% 0.0693% 3235 0.9 160 87679 0.0735% 3800294 3747501 4030243 5-1 13: 71 85 57 99 113 155 126 72 160 112 212 106 141 0.918 24.54 200.3 71 96 92 96 169 12.2 0.577 -1.558 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.3899 1349.8 >21 scans 87% 73 m/z (85) 0.12% 0.908% 3304 0.1 401 398008 0.947% 49840827 47340578 51927082 1-4 20: 73 60 57 55 129 115 41 43 69 61 98 87 83 101 42 39 56 45 70 74 0.996 25.35 200.6 74 93 93 99 162 0.0 0.000 -1.964 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.3899 1349.8 >21 scans 86% 73 m/z 0.13% 0.832% 3304 0.1 400 389197 0.868% 45660213 43369683 47595256 1-4 20: 73 60 57 55 129 115 41 43 69 61 98 87 83 101 42 39 56 45 70 74 0.983 22.70 -125.5 76 94 93 99 158 27.9 0.487 0.694 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.8669 1364.2 9.2 scans 27% 57 m/z (72) 1.5% 0.0218% 3384 1.2 80 33726 1197081 1136119 1-2 8: 57 84 70 56 184 141 153 113 0.622 23.86 0.2 79 90 57 86 184 12.0 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1101 1372.3 7.3 scans 50% 73 m/z 0.35% 0.0872% 3426 1.1 197 146279 4782177 4351211 3-7 17: 73 341 429 342 325 147 343 430 431 74 326 207 344 68 251 432 75 0.871 24.17 -151.5 79 99 86 98 429 63.1 10.289 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7228 1392.8 7.8 scans 61% 43 m/z (151) 1.1% 0.0413% 3529 0.9 129 46463 2268969 2064857 0-5 20: 43 83 55 41 142 82 58 56 85 113 111 71 70 39 67 68 127 93 59 42 0.971 24.70 253.2 70 89 88 98 170 4.3 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.8887 1398.3 11.0 scans 35% 85 m/z 1.7% 0.0210% 3557 1.7 89 30307 1154513 1062557 1-0 15: 85 71 43 57 127 84 70 113 99 161 126 137 86 128 58 0.756 20.36 -1.9 61 70 69 68 170 1.9 0.000 4.531 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2240 1409.5 8.0 scans 33% 43 m/z 0.72% 0.0171% 3614 1.0 89 71432 941657 876281 1-2 16: 43 103 145 116 115 144 86 61 92 146 44 74 120 104 178 153 0.896 25.24 -150.4 77 99 90 99 145 33.9 14.616 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5092 1419.0 12.9 scans 89% 84 m/z (159) 0.019% 2.25% 3663 1.2 702 2588245 123613785 111675500 2-2 20: 84 133 162 161 42 92 118 85 82 130 65 134 51 117 78 119 39 55 63 163 0.980 25.89 262.0 73 95 93 95 162 183.3 6.819 -0.383 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8067 1429.0 7.8 scans 53% 93 m/z (85) 0.77% 0.0527% 3713 1.1 148 66430 2891371 2745633 1-1 19: 93 121 136 43 91 71 79 194 77 94 57 70 190 122 81 92 107 151 95 0.883 25.78 273.7 75 99 93 99 194 20.9 1.999 0.030 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN N406_R~1-N1090 ?? UNK 42.45min 26.7099 1459.1 8.8 scans 23% 159 m/z 2.5% 0.0112% 3866 1.2 72 19938 616421 593323 0-1 15: 159 91 119 105 160 131 92 117 147 79 145 107 103 106 161 0.620 42.45 48.5 63 75 48 74 272 0.0 0.000 -15.736 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0983 1472.1 6.7 scans 25% 221 m/z 2.3% 0.0112% 3932 1.1 75 21894 614804 555054 2-2 16: 221 73 147 281 222 267 223 148 283 282 357 355 356 323 444 443 0.747 27.12 297.2 73 95 75 93 355 15.9 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1810 1474.9 7.9 scans 71% 57 m/z (163) 0.44% 0.0784% 3946 1.1 179 117152 0.161% 4301497 4046812 8828152 1-0 19: 57 71 43 85 41 56 55 70 198 84 99 42 113 112 98 69 126 127 39 0.982 27.21 -0.9 95 98 95 97 198 22.1 1.530 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8480 1499.8 8.0 scans 43% 71 m/z (123) 0.64% 0.0834% 4059 1.3 176 80432 4576192 4182761 2-3 19: 71 57 43 85 70 41 55 69 169 168 99 56 105 113 127 67 53 72 161 0.711 27.84 314.5 63 97 72 94 212 8.0 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3959 1520.4 8.7 scans 36% 80 m/z 0.82% 0.0222% 4152 1.0 95 62878 1222629 1151994 2-3 13: 80 171 104 172 78 170 53 91 65 63 66 52 167 0.804 28.39 327.0 72 94 77 93 171 45.8 23.369 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6698 1530.7 7.9 scans 79% 43 m/z (183) 0.092% 0.456% 4198 1.0 412 555499 25009993 21637994 4-12 20: 43 69 41 151 107 136 67 125 93 109 83 53 121 39 81 68 108 79 55 91 0.958 28.67 333.3 77 99 99 99 194 30.8 0.558 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1013 1546.9 7.7 scans 74% 71 m/z 0.096% 0.420% 4271 1.1 435 535388 0.515% 23072137 21413590 28239121 2-0 20: 71 57 43 85 41 70 55 113 141 56 99 112 84 97 177 69 183 42 140 127 0.894 29.10 343.0 72 94 91 93 227 9.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5193 1562.7 7.2 scans 63% 73 m/z 0.15% 0.232% 4342 1.0 324 323371 12771066 11746494 2-5 20: 73 281 147 327 282 415 341 503 283 399 328 221 416 148 504 74 417 342 325 207 0.951 29.61 -150.4 79 99 92 99 503 56.3 3.018 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 29.5801 1564.9 9.1 scans 13% 175 m/z 0.82% 0.0219% 4352 1.0 94 62893 1202953 1108660 3-0 7: 175 176 115 142 105 78 116 0.711 22.01 464.5 63 84 55 83 190 32.9 12.302 7.570 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6680 1568.2 8.2 scans 80% 177 m/z 0.060% 0.576% 4367 0.8 501 858997 31593094 29798590 2-1 20: 177 158 157 43 91 135 77 159 93 79 130 105 121 107 149 133 41 122 119 192 0.944 29.68 355.7 77 96 95 96 192 50.8 1.027 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7672 1572.0 8.0 scans 62% 123 m/z 0.057% 0.250% 4384 0.9 329 890817 13752489 12497912 1-3 16: 123 135 124 107 91 95 79 109 77 93 81 53 193 125 105 96 0.911 29.77 358.0 77 98 90 98 193 28.9 0.775 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9467 1578.7 8.6 scans 76% 71 m/z 0.094% 0.476% 4414 0.7 424 543606 26113095 23748447 2-2 20: 71 85 57 43 99 113 41 69 55 127 84 70 155 56 83 126 86 111 169 72 0.934 29.94 362.3 78 99 94 98 254 11.7 0.076 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.1728 1587.2 7.9 scans 64% 57 m/z (91) 0.32% 0.160% 4453 1.1 254 159039 0.251% 8792852 8552464 13763144 1-0 20: 57 85 71 43 41 99 113 55 84 56 70 127 69 98 155 183 83 112 141 86 0.927 30.38 -7.7 79 82 93 85 212 3.1 0.000 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5045 1600.3 8.2 scans 83% 191 m/z 0.030% 0.548% 4509 1.0 482 1674058 30058665 28759211 1-2 20: 191 206 192 57 163 74 91 175 115 41 107 77 207 73 88 147 128 161 105 133 0.973 30.50 375.5 80 99 97 99 206 130.3 7.319 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8233 1613.7 8.2 scans 42% 124 m/z (71) 0.79% 0.0499% 4563 1.1 137 64884 2738622 2516191 3-3 6: 124 137 180 138 54 181 0.966 30.81 384.3 75 96 94 99 180 35.4 6.625 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8835 1616.2 9.1 scans 41% TIC 0.94% 0.0280% 4573 1.3 141 54659 1539522 1384093 1-1 0.720 30.88 0.2 87 91 68 90 204 31.7 5.009 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2070 1629.8 9.2 scans 53% 111 m/z 0.12% 0.300% 4628 0.8 330 409970 16463826 14970905 2-3 20: 111 109 137 180 67 110 124 73 152 95 79 341 81 77 223 39 112 65 165 93 0.834 31.20 394.4 73 96 74 93 180 79.0 5.739 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5158 1642.8 11.3 scans 57% 43 m/z (113) 0.82% 0.0793% 4680 1.4 153 62353 4350118 3994327 1-1 20: 43 71 57 85 98 127 55 41 84 99 166 111 56 151 68 154 96 81 100 69 0.935 31.52 0.1 74 78 81 82 166 19.3 1.577 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7991 1654.7 8.7 scans 14% 193 m/z (151) 1.8% 0.0127% 4728 0.9 68 28596 696592 634850 4-2 6: 193 194 175 209 208 198 0.550 31.80 0.2 70 80 46 82 208 16.1 5.674 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9184 1659.7 8.0 scans 57% 71 m/z (117) 0.79% 0.100% 4749 0.6 182 64688 5485982 5002568 2-1 20: 71 57 85 43 82 69 41 99 113 70 84 127 56 111 67 155 126 112 97 210 0.919 31.92 -0.0 78 84 90 90 219 4.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0577 1665.5 6.7 scans 30% 221 m/z 0.76% 0.0354% 4772 1.0 130 67743 1943861 1775079 3-9 20: 221 73 147 295 222 207 355 341 223 296 281 297 325 342 267 148 282 74 356 208 0.897 32.08 -0.9 95 97 85 96 355 24.3 3.490 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2348 1673.0 9.3 scans 58% 57 m/z 0.40% 0.100% 4802 1.0 207 126765 5500016 5028171 1-1 20: 57 71 43 85 41 56 183 55 99 113 149 105 182 70 69 42 83 184 141 97 0.817 32.24 -0.1 88 94 90 94 226 9.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4444 1681.8 9.7 scans 64% 57 m/z (211) 0.45% 0.125% 4837 0.9 203 113837 6904748 6463478 1-1 20: 57 85 71 56 197 41 55 113 99 69 70 141 97 114 168 128 125 169 42 155 0.956 32.44 0.1 85 88 91 89 226 7.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6781 1691.6 8.7 scans 70% 205 m/z (157) 1.3% 0.139% 4877 0.9 224 39317 7632450 7115405 2-2 18: 205 91 119 105 93 159 162 79 107 147 187 145 77 131 121 149 106 146 0.973 32.67 0.1 94 95 94 98 220 13.3 0.353 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8676 1699.6 8.0 scans 24% 70 m/z (149) 0.75% 0.0419% 4909 1.1 122 68461 0.0467% 2302831 2036400 2560712 10-0 3: 70 195 216 0.810 32.87 0.1 70 80 80 80 186 1.9 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9337 1702.3 7.8 scans 65% 71 m/z 0.072% 0.208% 4920 0.9 295 716130 11444618 10420356 6-2 14: 71 43 159 111 56 243 72 155 173 143 89 98 73 44 0.936 32.93 0.0 96 96 92 98 243 47.3 2.567 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1212 ? Hexadecene 33.0878 1708.8 8.2 scans 37% TIC 1.7% 0.0282% 4947 1.3 138 30089 1549586 1452046 1-1 0.664 33.09 0.1 79 95 82 97 224 7.7 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.5 scans 73% 57 m/z (218) 0.25% 0.172% 4984 0.6 254 201405 9453969 9099937 1-1 17: 57 71 43 85 41 99 55 56 70 113 226 42 84 98 112 72 141 0.972 33.37 -2.7 95 98 97 99 226 29.0 1.302 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.8 scans 51% 71 m/z (247) 0.95% 0.0541% 5083 1.0 145 54262 2970483 2613293 8-1 16: 71 57 43 85 70 197 113 196 99 56 168 127 141 42 167 240 0.899 33.90 -0.1 91 98 94 98 197 28.5 3.877 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2714 1733.7 6.8 scans 38% 57 m/z (173) 1.1% 0.0314% 5147 1.0 123 45564 1725834 1649629 1-1 19: 57 71 59 43 85 211 41 98 210 99 182 72 113 69 70 86 44 42 127 0.921 34.27 0.1 86 90 82 94 211 21.1 2.932 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3830 1735.2 11.5 scans 96% 355 m/z 0.010% 6.56% 5166 0.5 1414 5021910 359784806 342742858 2-2 20: 355 73 147 282 222 327 267 403 148 223 191 339 133 265 268 341 269 326 208 387 0.996 34.39 452.2 80 99 99 100 415 175.8 1.547 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8145 1741.4 14.1 scans 88% 91 m/z 0.032% 1.47% 5239 0.3 598 1566944 80872246 75092056 1-2 20: 91 155 199 90 65 184 92 89 44 120 63 106 39 77 64 200 51 134 109 107 0.989 34.79 452.4 80 100 98 99 199 169.1 7.995 0.029 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9031 1742.7 8.4 scans 37% 68 m/z (71) 0.92% 0.0756% 5254 1.4 161 56021 4147255 3718444 2-2 3: 68 69 188 0.925 34.90 -0.0 92 94 97 99 224 21.1 1.703 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3517 1749.1 8.2 scans 80% 57 m/z (141) 0.21% 0.420% 5330 0.8 394 241467 23055914 20560218 4-1 20: 57 71 43 69 55 85 41 56 81 95 126 70 111 83 82 67 96 97 137 109 0.994 35.35 451.7 76 96 98 100 196 34.7 0.779 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9350 1757.4 >9 scans 59% TIC 0.36% 0.100% 5429 0.7 242 140185 0.211% 5489634 5182893 11569814 2-0 0.929 35.94 451.0 73 95 85 95 238 5.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2036 1775.6 8.2 scans 69% 209 m/z 0.087% 0.340% 5644 1.0 372 588902 18684881 17656239 2-2 20: 209 224 181 165 210 167 105 178 166 179 103 225 194 77 91 115 193 152 119 97 0.948 37.20 449.3 79 99 94 99 224 118.2 10.081 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0584 1787.8 8.6 scans 55% 57 m/z 0.46% 0.0746% 5788 0.9 186 110820 4091220 3885876 1-1 20: 57 71 85 43 56 41 225 99 55 224 113 69 127 70 97 196 155 84 98 169 0.848 38.06 448.1 75 97 84 95 225 35.6 3.675 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5909 1795.4 15.0 scans 83% TIC 0.012% 5.59% 5879 0.2 1312 4040305 7.27% 306926824 288668795 398637683 2-0 0.998 38.59 447.3 80 99 97 99 429 400.2 9.325 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8170 1798.7 11.6 scans 46% 57 m/z (127) 0.72% 0.0722% 5917 1.0 144 70911 3958989 3709689 1-0 18: 57 71 85 43 41 99 55 70 234 238 72 86 155 42 44 83 225 124 0.947 38.91 -1.3 84 91 90 89 254 13.0 0.810 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4486 1866.8 7.9 scans 24% 74 m/z 1.9% 0.0170% 6024 1.0 87 26810 936256 874588 2-3 16: 74 87 228 101 102 229 60 75 143 73 59 213 185 61 129 88 0.636 39.45 505.3 66 95 64 92 256 12.9 2.227 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8235 1913.3 12.0 scans 93% 95 m/z 0.024% 5.85% 6088 0.3 1302 2115127 320890958 296427790 2-2 20: 95 68 82 123 69 81 55 57 67 83 43 41 97 71 96 109 124 111 79 56 0.999 39.94 544.2 81 100 100 100 278 76.1 0.342 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9026 1923.1 6.7 scans 58% 58 m/z 0.45% 0.0989% 6101 1.1 230 112606 5424046 5116481 0-3 9: 58 43 59 109 95 110 250 124 96 0.894 39.88 554.8 75 96 88 95 250 25.9 1.262 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3117 1973.8 7.8 scans 61% 149 m/z (141) 0.10% 0.128% 6170 1.2 226 478388 7048090 6322284 3-3 15: 149 150 223 104 76 167 121 151 205 65 93 105 50 122 224 0.973 40.31 598.9 77 98 97 99 223 44.7 3.913 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN N406_R~1-N1110 ? Phytol 40.3837 1982.7 7.6 scans 22% 81 m/z (355) 1.8% 0.0279% 6183 1.5 99 27464 1534410 1340080 9-2 12: 81 82 95 123 79 278 124 109 96 94 137 80 0.772 40.66 -34.5 70 81 49 77 278 16.2 0.000 -0.278 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5980 2009.3 6.7 scans 39% 221 m/z (111) 1.5% 0.0242% 6218 1.1 106 34191 1328533 1242044 2-2 19: 221 73 147 295 281 207 222 369 296 223 148 283 370 297 282 267 208 341 342 0.897 40.63 629.2 73 98 92 99 369 17.4 2.668 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1254 Phytol 40.8524 2040.8 7.8 scans 62% 81 m/z (151) 0.83% 0.103% 6261 1.1 203 62181 5656433 5289424 1-4 9: 81 123 68 96 79 278 109 94 137 0.958 40.87 -1.9 93 96 97 98 278 26.5 1.706 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9947 2058.5 8.1 scans 38% 138 m/z (155) 1.4% 0.0378% 6286 1.0 121 35759 2074356 1942507 2-1 11: 138 120 124 121 109 65 262 92 122 93 263 0.899 41.00 672.7 75 98 95 100 262 15.8 1.696 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2415 2089.1 8.1 scans 77% 79 m/z (253) 0.39% 0.203% 6328 1.0 280 131417 11140116 10199747 2-2 20: 79 67 93 95 80 91 55 108 41 121 81 94 77 107 78 87 59 135 136 53 0.978 41.26 -1.9 96 98 98 100 264 18.9 0.454 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4510 2115.0 8.7 scans 82% 205 m/z 0.20% 0.491% 6363 0.7 442 250888 26936297 25663404 3-1 20: 205 217 57 175 189 220 177 55 232 41 91 261 191 203 192 161 77 233 206 159 0.937 41.49 -81.6 85 100 94 100 276 29.5 0.446 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8389 2139.0 8.6 scans 43% 57 m/z (74) 1.4% 0.0540% 6429 1.0 137 34942 0.0609% 2965439 2713330 3339345 3-0 20: 57 71 43 84 55 85 69 83 70 125 98 252 99 111 56 113 126 169 155 124 0.919 41.48 20.0 68 73 84 80 268 3.0 0.000 0.356 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0172 2149.0 8.8 scans 94% 74 m/z 0.019% 2.12% 6459 0.7 905 2621787 116436350 112833923 2-1 20: 74 87 143 43 55 75 227 41 270 69 57 129 83 239 97 185 101 171 199 88 0.990 42.01 747.0 80 100 99 99 272 22.1 0.060 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.2999 2164.9 9.7 scans 93% 73 m/z 0.030% 1.85% 6507 1.1 793 1671741 101935716 95665604 2-3 20: 73 147 281 221 355 503 207 341 282 222 283 356 415 504 295 431 505 357 342 267 0.990 42.37 755.9 73 90 93 98 503 133.2 2.823 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.3035 2221.2 15.3 scans 8.5% 263 m/z (84) 5.8% 0.00467% 6677 1.6 33 8801 256204 256204 0-0 9: 263 278 142 147 128 161 106 179 155 0.408 43.31 -0.2 62 76 18 72 278 12.2 13.307 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8507 2251.9 8.2 scans 44% 267 m/z (220) 1.9% 0.0296% 6770 0.9 103 26993 1627251 1393044 1-6 8: 267 71 85 126 127 113 155 86 0.883 43.94 -4.8 63 77 82 78 282 3.5 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1234 ? Thunbergol 45.1571 2327.0 8.3 scans 44% 71 m/z 4.0% 0.0242% 6991 1.0 100 12876 1331734 1145756 2-8 20: 71 137 81 95 257 190 69 93 123 55 107 109 136 121 43 67 80 79 91 135 0.661 44.90 14.8 79 84 56 80 272 8.6 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7805 2362.8 8.2 scans 77% 73 m/z (97) 0.36% 0.125% 7096 1.0 216 141991 6880500 6144207 3-2 20: 73 355 147 221 356 281 207 282 222 148 295 341 283 74 357 415 503 205 342 401 0.936 45.78 0.2 97 99 93 99 503 20.3 0.878 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9228 2371.0 8.3 scans 90% TIC 0.035% 1.24% 7121 0.9 694 1453719 68140323 62477086 2-4 0.960 45.92 892.3 79 99 99 100 298 113.7 2.688 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1011 2381.3 8.2 scans 82% 79 m/z (98) 0.29% 0.261% 7151 1.1 316 177070 14348915 13362365 2-5 20: 79 67 95 93 80 108 81 55 41 91 94 107 77 121 135 78 149 59 109 69 0.975 46.13 -1.9 94 96 95 98 292 22.6 0.513 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN HCMIX_~1-N1022 ?? Henicosane 46.6152 2410.9 8.9 scans 38% 57 m/z (96) 4.4% 0.0140% 7238 1.4 70 11719 769926 689417 3-2 20: 57 71 85 70 99 113 43 54 155 69 127 68 125 98 112 83 56 79 84 137 0.821 46.28 19.2 68 81 79 77 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7593 2419.2 8.3 scans 90% TIC 0.10% 0.386% 7262 1.0 397 490243 21208756 19876198 2-3 0.977 46.76 924.1 79 99 98 99 298 70.9 3.180 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5007 2461.9 7.2 scans 43% 138 m/z (237) 3.3% 0.0113% 7388 1.0 69 15305 619613 552516 2-5 8: 138 120 139 121 126 306 92 140 0.792 47.50 949.1 73 98 83 96 168 8.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6837 2472.4 7.0 scans 17% 221 m/z (55 131) 12% 0.00256% 7419 0.9 33 4152 140510 132966 1-4 9: 221 73 222 147 369 295 223 296 297 0.670 44.32 1025.1 63 97 73 94 369 8.2 6.133 3.364 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9287 2544.1 7.8 scans 60% 73 m/z (91) 1.7% 0.0206% 7630 1.2 91 29245 1132814 1065257 1-5 17: 73 147 355 221 429 295 356 357 296 431 205 222 399 327 283 281 265 0.791 48.95 993.7 70 97 82 98 429 26.7 8.616 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3520 2625.9 8.1 scans 87% 74 m/z 0.26% 0.163% 7871 1.1 259 191326 8992462 8405579 2-5 20: 74 87 43 75 55 143 326 57 69 41 283 83 97 71 129 101 59 88 199 227 0.941 50.36 1038.9 78 99 95 99 326 49.4 3.644 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8414 2711.6 8.5 scans 54% TIC 2.1% 0.0137% 8123 1.4 78 23534 756007 687210 5-4 0.722 51.86 1080.7 75 98 71 95 503 13.3 2.908 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.3464 777.4 5.3 scans 86% TIC 0.031% 0.226% 78 2.4 353 1595663 13250377 11659192 1-7 0.922 4.37 23.4 99 100 90 99 77 314.2 79.173 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.3754 830.2 7.3 scans 48% 57 m/z (70) 2.6% 0.00675% 421 0.8 52 18705 395305 325987 1-7 5: 57 45 41 87 58 0.891 6.03 -131.4 71 97 90 96 102 5.9 0.000 0.342 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5826 835.6 21.9 scans 68% 207 m/z 0.44% 0.0645% 457 2.8 114 112721 3781243 3434838 2-2 20: 207 96 208 209 191 177 161 193 115 176 38 67 133 165 178 149 194 117 59 104 0.803 6.53 -141.2 79 100 87 99 207 83.5 53.968 0.055 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6777 864.1 8.5 scans 84% 41 m/z 0.83% 0.0907% 642 2.1 176 59982 5313015 4708257 2-3 20: 41 55 69 83 39 42 57 98 70 97 80 53 43 56 54 79 68 81 50 51 0.945 7.71 8.8 100 99 95 99 98 39.6 5.088 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKSTART-N1002 ? Contamination 12.22min 12.4245 987.7 8.6 scans 15% 81 m/z (94) 2.5% 0.00598% 1447 1.4 45 19378 350584 308776 1-3 8: 81 138 82 114 116 99 249 284 0.291 12.22 41.4 73 91 1 93 281 33.4 0.000 0.205 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6819 994.4 10.1 scans 74% TIC 0.39% 0.0595% 1490 2.1 145 127465 3483341 3226150 1-2 0.958 13.22 30.8 93 95 90 97 110 44.6 9.484 -0.540 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1022 ? Octanal 12.9375 1001.1 8.4 scans 63% TIC 1.8% 0.0317% 1533 1.4 126 26501 1857972 1703174 1-2 0.900 12.96 -173.7 77 98 88 97 110 14.2 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1024 ? p-Cymene 13.7338 1022.7 8.6 scans 36% 119 m/z (89) 2.3% 0.00716% 1668 1.4 51 21014 419257 372555 2-4 9: 119 91 134 115 117 120 103 118 136 0.743 13.76 -176.8 74 99 80 98 134 19.8 15.256 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1016 Limonene 13.9098 1027.5 8.6 scans 67% 68 m/z (111) 0.89% 0.0756% 1698 1.4 163 55811 4431561 3944528 2-4 19: 68 67 93 124 39 79 53 136 94 54 121 123 92 107 91 43 77 95 41 0.795 13.89 52.2 87 99 93 98 136 29.8 3.352 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1229 1033.2 14.1 scans 50% 108 m/z 1.6% 0.0264% 1734 1.1 86 30096 1546622 1463568 1-3 10: 108 79 77 78 50 37 62 58 76 63 0.889 14.11 54.2 88 97 85 96 108 41.4 23.308 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4611 1042.4 9.7 scans 90% TIC 0.028% 0.692% 1791 1.3 474 1746519 40539151 35484317 3-3 0.989 14.44 57.6 91 100 100 100 120 155.2 10.719 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1813 1061.9 11.8 scans 88% 105 m/z 0.090% 0.322% 1913 1.5 310 555478 0.426% 18896307 17885976 24939442 2-0 20: 105 77 123 51 46 50 106 78 74 76 75 79 49 52 53 38 63 62 104 73 0.985 15.17 64.5 89 100 98 100 123 112.6 13.160 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2380 1063.5 15.4 scans 1.7% 94 m/z (105) 8.3% 0.00431% 1923 0.8 30 5986 252772 232806 1-0 5: 94 109 297 66 110 0.211 16.11 -206.7 61 96 74 95 109 18.2 36.975 -0.871 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN 98-86-2 ? Acetophenone 15.2664 1064.2 >13 scans 67% 105 m/z 0.20% 0.129% 1928 1.5 208 241973 0.286% 7574849 7055981 16743381 0-2 20: 105 120 77 51 107 43 50 121 78 106 125 74 63 96 91 92 61 39 75 52 0.972 15.29 -181.5 76 94 94 99 120 67.8 10.631 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.4340 1068.8 9.1 scans 45% 95 m/z (99) 0.64% 0.0478% 1956 1.8 126 77638 2803906 2639893 2-3 10: 95 81 124 109 53 65 96 66 125 38 0.665 15.43 67.1 78 98 81 97 124 39.9 10.051 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2132 1089.9 8.2 scans 39% 132 m/z 2.3% 0.00902% 2088 1.4 67 21198 528247 483921 1-1 18: 132 117 115 131 91 92 118 116 128 63 65 127 39 64 89 51 78 191 0.747 16.25 -184.7 77 99 74 97 132 36.2 29.046 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1016 Nonanal 16.7853 1108.4 8.2 scans 89% 57 m/z 0.15% 0.411% 2185 1.2 409 328167 24100307 21646240 6-4 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 42 71 83 54 0.985 16.82 86.0 82 98 98 99 124 26.9 0.432 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1008 ? Maltol 16.9647 1116.0 9.3 scans 67% 71 m/z (80) 0.63% 0.0825% 2216 1.4 166 78835 4834805 4295332 1-5 15: 71 43 95 110 58 55 84 85 69 70 57 42 56 72 113 0.899 16.96 91.4 78 99 97 99 156 8.3 0.249 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0639 1120.1 11.0 scans 24% 91 m/z (126) 1.8% 0.0128% 2232 1.6 61 26682 752591 712764 2-2 5: 91 92 134 122 115 0.710 17.05 94.1 62 85 78 95 122 20.7 11.457 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0728 1162.8 >12 scans 54% TIC 0.44% 0.0701% 2403 0.8 155 113128 4107975 3745220 2-0 0.944 18.13 -168.9 79 99 92 99 355 63.9 17.006 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1018 ? Pyranone 18.1926 1167.8 10.3 scans 55% 144 m/z 0.27% 0.155% 2423 0.9 228 179977 9107123 8041894 3-5 13: 144 43 44 101 72 45 115 58 71 145 146 49 107 0.905 18.22 124.3 79 99 88 98 144 105.5 21.362 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN M4942-N1002 ? Pyranone 18.1926 1167.8 10.3 scans 63% 144 m/z (68) 0.28% 0.198% 2423 0.9 245 178380 11638835 10277480 3-5 13: 144 43 44 101 72 45 115 58 71 145 146 49 107 0.976 20.04 -222.7 78 100 98 100 144 105.1 18.463 -1.849 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8343 1194.9 12.0 scans 22% TIC 0.86% 0.0347% 2532 0.9 191 58106 2033112 1706854 2-2 0.926 18.83 142.2 72 90 93 99 122 12.9 0.454 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1266 ? Octanoic acid 19.6637 1230.0 >22 scans 92% 85 m/z 0.11% 1.21% 2672 0.1 481 430422 71393693 69901151 0-4 20: 85 69 101 73 87 41 115 97 57 82 88 108 45 98 83 89 53 71 116 40 0.993 22.03 -79.1 78 90 92 98 175 0.0 0.000 -2.370 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8515 1237.9 9.3 scans 55% 57 m/z 0.27% 0.127% 2704 1.3 221 179785 7461440 7013247 2-2 18: 57 45 41 75 87 56 89 43 101 72 59 100 85 44 135 71 58 132 0.960 19.81 170.4 72 90 90 98 144 5.4 0.000 0.037 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.9223 1240.9 13.2 scans 67% 105 m/z 0.25% 0.134% 2716 0.2 201 197156 7864434 7524176 1-2 15: 105 122 77 51 50 76 106 123 74 78 38 94 37 49 104 0.962 20.03 170.2 76 96 91 95 122 102.6 26.088 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 20.3107 1257.3 11.9 scans 20% 71 m/z (107) 5.2% 0.00755% 2782 2.2 47 9528 441979 409086 0-2 5: 71 85 58 170 70 0.781 33.32 -9.7 66 76 74 75 226 0.0 0.000 -13.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3290 1258.0 11.3 scans 27% 57 m/z (83) 3.8% 0.00982% 2785 1.0 55 13074 575416 556173 3-1 7: 57 71 112 168 98 127 170 0.918 20.32 0.3 88 94 84 91 170 8.0 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5345 1264.1 8.2 scans 91% 57 m/z (108) 0.26% 0.328% 2820 1.0 365 189117 19221775 17954128 3-3 20: 57 41 43 55 82 70 71 68 44 56 83 67 81 69 112 95 96 84 42 39 0.996 16.82 -27.3 68 71 85 74 124 3.7 0.000 3.719 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5345 1264.1 8.2 scans 89% 57 m/z 0.26% 0.305% 2820 1.0 362 189756 17894337 16714232 3-3 20: 57 41 43 55 82 70 71 68 44 56 83 67 81 69 112 95 96 84 42 39 0.982 20.56 185.4 71 86 92 100 128 32.4 0.805 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9678 1277.1 11.1 scans 38% 94 m/z (137) 0.41% 0.0598% 2894 1.5 132 119591 3506316 3134124 1-4 8: 94 138 66 45 139 74 88 51 0.908 20.98 192.1 76 99 93 99 152 6.5 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0056 1278.3 8.8 scans 72% 137 m/z (88) 0.50% 0.137% 2900 1.0 226 98311 8047644 7451688 2-3 18: 137 152 109 123 81 67 79 41 93 107 119 55 53 153 124 110 121 60 0.962 21.00 193.0 67 91 80 89 155 2.0 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2612 1285.9 7.7 scans 11% 281 m/z 1.2% 0.0113% 2943 1.7 65 40200 664539 563710 5-5 12: 281 282 193 194 265 133 249 207 283 267 191 251 0.736 12.25 132.8 75 97 63 96 281 49.9 59.241 9.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.0487 1309.6 9.5 scans 55% 95 m/z (38) 1.5% 0.0463% 3077 0.9 130 31727 2715585 2607451 1-1 19: 95 43 123 138 57 55 82 69 51 88 110 66 96 56 71 68 65 50 81 0.818 17.80 -11.8 61 63 61 74 128 2.3 0.000 4.254 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9141 1335.6 8.8 scans 55% 69 m/z (57) 0.42% 0.0960% 3223 0.8 182 118071 5623177 5046617 3-3 9: 69 109 43 86 110 128 145 170 341 0.798 22.91 222.0 70 97 90 97 127 26.5 2.106 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.4424 1351.4 >22 scans 83% TIC 0.18% 0.454% 3313 0.1 329 270801 26636911 25636982 0-2 0.970 22.70 -123.9 77 95 93 99 158 22.4 0.465 0.746 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1016 ?? Nicotine 23.4424 1351.4 >21 scans 77% 60 m/z (96 71) 0.18% 0.480% 3313 0.1 316 273701 28117593 26104998 1-2 20: 60 73 57 41 129 55 115 43 98 69 56 39 45 87 61 74 101 42 70 83 0.979 25.35 202.2 69 93 90 94 162 0.0 0.000 -1.912 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8285 1363.0 10.3 scans 33% 57 m/z (43) 1.4% 0.0232% 3378 1.1 81 33821 1361847 1171494 1-4 9: 57 71 85 69 84 70 164 184 154 0.766 23.86 -1.0 73 86 65 84 184 11.9 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0871 1371.5 7.3 scans 59% 73 m/z 0.30% 0.0955% 3422 1.0 214 166588 5593550 5158542 2-6 18: 73 341 429 342 325 147 343 430 431 326 74 207 82 327 344 432 311 68 0.809 24.17 -152.3 78 99 88 99 429 67.3 9.887 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5428 1386.7 7.7 scans 69% 71 m/z (192) 0.78% 0.0626% 3499 1.2 152 63432 0.0699% 3668487 2952951 4092176 2-5 20: 71 57 85 43 84 113 70 72 99 127 41 155 55 56 169 197 42 126 45 112 0.960 24.54 249.4 74 96 95 99 169 16.6 1.189 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6886 1391.6 9.4 scans 55% 43 m/z (80) 1.1% 0.0488% 3524 0.7 118 42212 0.0543% 2859734 2563556 3178901 0-3 18: 43 83 55 41 82 113 58 56 85 111 39 67 127 108 128 70 93 142 0.919 24.70 252.0 67 90 87 95 170 4.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2217 1409.4 7.6 scans 37% 43 m/z 0.86% 0.0138% 3614 0.8 80 58179 809893 751813 2-2 10: 43 103 145 116 115 61 86 74 104 117 0.918 25.24 -150.5 78 98 90 98 145 31.6 15.387 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.5357 1419.9 20.4 scans 93% 84 m/z 0.0081% 6.84% 3667 0.4 1143 6150175 400615883 385793917 0-2 20: 84 133 162 161 119 42 92 130 82 134 78 117 51 39 91 120 163 63 55 77 0.985 25.89 262.9 78 97 94 97 162 311.0 7.407 -0.356 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7896 1428.4 7.7 scans 58% 93 m/z (85) 0.72% 0.0506% 3710 1.0 148 69232 2962664 2833903 1-1 15: 93 121 136 43 91 79 194 77 94 81 57 137 70 107 108 0.929 25.78 273.1 76 99 96 99 194 20.8 1.965 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0824 1471.6 6.7 scans 34% 221 m/z 1.5% 0.0164% 3929 1.0 93 31843 962333 908312 2-2 19: 221 73 147 281 222 283 267 282 355 148 443 357 444 149 191 265 445 205 323 0.759 27.12 296.7 74 97 79 95 355 19.3 4.326 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.8 scans 70% 57 m/z (199) 0.45% 0.0693% 3944 1.1 172 109473 0.128% 4062216 3837779 7493541 1-0 20: 57 71 85 43 41 56 198 99 55 70 42 84 112 69 127 98 113 97 39 155 0.990 27.21 -1.3 95 98 96 97 198 20.1 1.364 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1032 ? Myosmine 28.0151 1506.1 12.7 scans 48% 118 m/z (57) 0.43% 0.0864% 4087 1.2 152 116424 5058915 4838230 1-4 15: 118 146 145 64 51 104 39 90 89 181 50 138 38 49 139 0.711 27.93 319.4 72 96 77 95 146 74.7 23.997 0.084 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3859 1520.0 8.5 scans 61% 80 m/z (71) 0.40% 0.0548% 4150 1.1 146 122831 3213171 3051760 2-3 18: 80 171 104 53 170 78 172 91 77 65 81 51 103 50 79 52 63 115 0.937 28.39 326.6 76 99 94 99 171 64.4 19.407 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6592 1530.3 7.8 scans 67% 43 m/z 0.11% 0.280% 4196 0.9 350 438035 16400165 14477570 3-12 19: 43 69 41 151 136 107 67 125 93 109 83 53 121 81 39 68 108 79 91 0.927 28.67 332.9 77 97 93 96 194 32.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0931 1546.6 7.5 scans 77% 71 m/z 0.098% 0.372% 4270 1.1 432 507571 0.484% 21810726 21170183 28334953 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 177 84 97 183 69 220 42 140 0.927 29.10 342.7 73 94 94 94 227 9.3 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5122 1562.4 8.0 scans 93% TIC 0.018% 2.53% 4341 0.8 1050 2700333 148328134 138901516 2-3 0.982 29.61 -150.7 79 98 96 99 503 183.5 3.057 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1044 b-Ionone 29.6604 1568.0 8.7 scans 83% 177 m/z 0.052% 0.869% 4366 0.8 601 951267 50906339 46545983 2-2 20: 177 158 157 43 130 178 159 135 77 105 79 93 117 107 149 89 41 63 122 119 0.958 29.68 355.5 80 100 98 100 192 53.3 0.785 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7590 1571.7 7.9 scans 67% 123 m/z (85) 0.074% 0.223% 4383 0.9 308 676943 13065882 12163385 1-3 15: 123 135 124 107 91 95 79 109 77 81 93 125 193 165 136 0.979 29.77 357.7 77 98 98 99 193 25.3 0.675 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9408 1578.5 8.6 scans 77% 71 m/z 0.085% 0.480% 4413 0.8 434 585119 28149339 26782296 1-3 20: 71 85 57 43 99 113 41 69 55 127 84 155 70 56 83 169 86 42 72 112 0.930 29.94 362.1 77 98 93 98 254 12.3 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1681 1587.0 8.1 scans 66% 57 m/z (161) 0.32% 0.160% 4452 1.1 256 154882 0.251% 9392550 8956343 14694366 1-0 20: 57 85 71 43 41 99 55 84 113 56 70 127 69 155 98 83 183 141 86 42 0.962 30.38 -7.9 81 83 93 86 212 2.9 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5081 1600.4 8.1 scans 81% 191 m/z 0.031% 0.492% 4510 0.9 463 1582790 28804682 27567764 1-4 20: 191 206 192 57 163 74 175 91 115 41 107 207 77 73 147 88 128 161 117 135 0.970 30.50 375.6 80 100 96 99 206 126.3 7.443 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8210 1613.6 8.6 scans 38% 124 m/z (71) 0.87% 0.0426% 4562 1.0 129 57421 2499056 2315990 3-2 7: 124 137 180 138 54 168 181 0.950 30.81 384.2 74 96 89 98 180 33.3 6.681 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8824 1616.1 8.5 scans 39% 161 m/z 0.72% 0.0503% 4573 1.0 149 68728 2948961 2671167 3-1 17: 161 162 147 105 204 134 119 91 77 93 163 148 133 106 145 115 103 0.787 30.88 0.1 92 93 66 92 204 31.8 4.584 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2094 1629.9 9.3 scans 67% 111 m/z (71) 0.12% 0.408% 4628 0.7 376 413127 23891954 21494278 3-2 19: 111 109 137 180 67 110 124 95 152 341 223 79 77 94 81 39 165 112 93 0.941 31.20 394.5 74 97 94 98 180 79.9 4.510 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN N406_R~1-N1100 ?? Dihydroactinidiolide 31.2094 1629.9 9.3 scans 52% 111 m/z (71 71) 0.12% 0.313% 4628 0.7 330 409162 18350643 16509065 3-2 19: 111 109 137 180 67 110 124 95 152 341 223 79 77 94 81 39 165 112 93 0.860 31.18 394.9 68 93 78 96 180 80.5 5.968 0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5170 1642.8 9.8 scans 54% 43 m/z 0.35% 0.0882% 4680 1.0 193 140935 5167027 4840636 1-1 20: 43 98 71 57 111 166 55 41 127 151 82 59 126 69 123 68 84 67 107 39 0.786 31.52 0.1 93 95 81 94 166 36.9 3.676 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7974 1654.6 8.9 scans 22% 193 m/z (57) 1.2% 0.0204% 4728 1.1 88 38805 1198017 1144481 2-2 6: 193 194 208 175 151 198 0.775 31.80 0.1 69 75 58 84 208 17.3 3.913 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9166 1659.6 7.9 scans 61% 71 m/z (109) 0.64% 0.102% 4748 0.7 198 78000 6010602 5644552 3-1 20: 71 57 85 83 43 55 82 69 41 99 84 113 70 127 56 112 141 155 97 67 0.887 31.92 -0.1 80 87 90 93 219 11.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0577 1665.5 6.6 scans 60% 221 m/z 0.18% 0.137% 4772 1.0 271 268443 8056105 7294962 3-1 20: 221 73 147 207 222 295 341 355 223 281 325 148 296 267 74 342 356 297 208 149 0.954 32.08 -0.9 97 97 94 98 355 47.5 3.074 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2330 1672.9 9.2 scans 57% 57 m/z (169) 0.31% 0.142% 4802 1.1 221 159336 0.206% 8370127 7211802 12059918 1-2 20: 57 71 43 85 41 183 56 55 99 105 113 149 182 70 42 69 141 77 83 211 0.949 32.24 -0.2 89 94 92 94 226 10.3 0.216 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4314 1681.2 10.6 scans 62% 57 m/z (211) 0.42% 0.135% 4835 1.2 203 118274 7925970 7037173 1-2 20: 57 85 71 56 43 41 196 55 113 149 69 139 127 122 84 58 111 86 126 159 0.918 32.44 -0.5 91 98 94 97 226 7.6 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6817 1691.7 8.6 scans 68% 205 m/z 0.89% 0.139% 4878 0.9 248 56146 8147738 7785266 2-1 19: 205 119 91 105 93 159 43 79 107 162 147 187 131 121 77 146 145 106 67 0.918 32.67 0.2 95 96 89 96 220 15.9 0.410 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8641 1699.4 7.5 scans 21% 70 m/z (149) 0.64% 0.0379% 4909 1.5 123 77265 0.0400% 2223979 2000014 2341732 10-0 3: 70 195 216 0.743 32.87 -0.1 72 85 73 84 186 3.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9320 1702.3 7.7 scans 59% 71 m/z 0.080% 0.158% 4920 0.8 269 619742 9297580 8334213 4-2 14: 71 43 159 111 243 56 155 72 173 143 89 73 244 44 0.915 32.93 -0.0 96 97 93 97 243 44.8 2.761 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0884 1708.8 8.4 scans 40% TIC 1.5% 0.0299% 4947 1.2 145 32765 1750547 1582384 1-1 0.743 33.09 0.1 83 97 86 94 224 7.5 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.3 scans 70% 57 m/z (123) 0.23% 0.159% 4984 0.7 264 217716 0.172% 9318968 8792028 10069446 0-1 18: 57 71 43 85 41 55 99 56 70 113 226 69 84 42 98 72 112 97 0.984 33.37 -2.7 96 99 98 99 226 29.7 1.268 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.7 scans 50% TIC 0.65% 0.0351% 5083 0.8 160 76040 0.0587% 2055784 1948157 3436491 0-1 0.836 33.90 -0.1 89 95 85 93 197 32.9 4.218 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.6 scans 42% 57 m/z (197) 0.79% 0.0388% 5147 0.8 132 62676 2273695 2197952 0-1 18: 57 71 85 211 43 98 210 41 127 99 141 169 182 70 56 113 183 153 0.942 34.27 0.1 90 94 93 95 211 25.5 3.765 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3872 1735.3 11.5 scans 97% 73 m/z 0.0099% 6.23% 5167 0.4 1405 5057104 365218706 356432322 2-1 20: 73 221 357 282 327 267 402 403 385 191 339 45 268 249 417 251 295 323 269 189 0.997 34.39 452.3 81 100 99 100 415 174.7 1.549 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8063 1741.3 14.2 scans 86% 91 m/z 0.037% 1.15% 5238 0.3 548 1344090 67664167 65318856 1-1 20: 91 155 199 90 65 184 92 89 120 44 137 63 77 39 64 156 200 51 62 109 0.983 34.79 452.3 80 99 97 99 199 155.9 8.105 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9031 1742.7 8.3 scans 36% 68 m/z (71) 0.76% 0.0783% 5254 1.0 175 65618 4585521 4290124 2-3 2: 68 224 0.897 34.90 -0.0 90 92 94 99 224 23.0 1.728 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3535 1749.1 8.3 scans 60% 57 m/z (195) 0.25% 0.292% 5330 0.7 336 200421 17143125 15475429 3-1 20: 57 43 69 55 56 81 95 41 70 126 111 82 83 67 96 137 109 97 112 98 0.845 35.35 451.7 71 96 82 98 196 34.5 1.054 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9391 1757.5 9.3 scans 46% 91 m/z (72) 0.40% 0.154% 5429 1.1 233 123802 9055834 8567761 1-3 15: 91 155 184 65 148 92 199 105 44 119 93 82 133 107 177 0.848 35.94 451.1 68 94 75 93 238 8.2 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4946 1765.5 7.3 scans 39% 221 m/z 0.15% 0.228% 5523 1.0 327 315677 13401111 12296666 2-4 13: 221 73 147 295 207 281 222 369 223 341 148 282 327 0.552 36.58 449.0 77 98 94 98 369 52.4 2.562 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2101 1775.7 8.4 scans 73% 209 m/z 0.049% 0.567% 5645 0.8 488 1011167 33238393 30977018 2-2 20: 209 224 181 165 210 167 105 178 179 225 103 194 91 77 193 115 152 97 182 89 0.960 37.20 449.4 80 99 96 99 224 153.8 9.952 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1016 Octadecane 37.3010 1777.0 9.3 scans 65% 71 m/z (215) 0.32% 0.205% 5660 1.3 260 154564 0.310% 12009989 10592220 18148420 1-4 20: 71 85 57 43 99 113 127 55 69 84 41 169 70 155 126 141 111 211 86 42 0.979 38.91 -23.0 80 85 94 85 254 4.4 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0584 1787.8 8.6 scans 65% 57 m/z (173) 0.30% 0.159% 5788 1.0 243 166126 9322358 8528860 2-2 20: 57 71 85 43 56 41 99 55 224 113 225 69 127 141 70 226 98 58 84 169 0.935 38.06 448.1 76 99 97 99 225 43.4 3.181 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5573 1795.0 8.8 scans 93% 73 m/z 0.019% 2.58% 5873 1.0 1000 2585195 151126250 141056942 2-3 20: 73 147 221 430 281 431 356 222 401 357 148 295 342 267 282 223 432 343 459 283 0.993 38.59 446.9 80 99 99 100 429 297.4 8.848 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3607 1855.9 8.8 scans 21% 71 m/z (94 238) 3.2% 0.0156% 6009 0.7 78 15657 915145 861301 3-1 20: 71 57 127 43 99 41 70 169 100 141 226 98 168 114 205 84 55 69 196 180 0.842 36.21 5.0 65 76 83 82 240 4.1 0.280 3.150 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8430 1915.7 14.1 scans 94% 95 m/z 0.021% 6.97% 6091 0.2 1363 2334614 408493918 388805703 1-2 20: 95 68 82 123 69 81 55 83 67 43 41 97 96 71 109 124 111 79 110 56 0.998 39.94 546.6 81 100 100 100 278 83.6 0.376 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9138 1924.5 6.5 scans 63% 58 m/z 0.31% 0.141% 6103 1.3 284 158341 8301132 7560682 1-3 11: 58 43 59 109 55 95 110 124 250 123 96 0.931 39.88 556.2 76 97 93 96 250 31.3 1.214 0.031 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3200 1974.8 7.7 scans 51% 149 m/z (282) 0.12% 0.0980% 6172 0.9 205 406188 5742262 5364798 3-2 10: 149 150 223 104 76 167 205 65 132 50 0.973 40.31 599.9 77 99 97 99 223 43.5 4.508 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5903 2008.3 7.5 scans 68% 221 m/z 0.31% 0.114% 6217 1.0 232 159412 6691900 6361201 1-3 20: 221 73 147 295 207 281 222 369 296 148 401 282 355 297 208 341 74 223 356 265 0.945 40.63 628.2 75 94 95 99 369 38.7 2.791 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1254 Phytol 40.8501 2040.5 7.8 scans 63% 82 m/z (150) 0.86% 0.113% 6261 1.2 218 57755 6645184 6206628 1-3 11: 82 81 95 68 123 79 67 96 124 109 278 0.981 40.87 -2.2 94 97 98 97 278 26.1 1.426 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN N406_R~1-N1110 ? Phytol 40.8501 2040.5 7.8 scans 34% 82 m/z (70) 0.79% 0.0615% 6261 1.2 161 63082 3601787 3364083 1-3 11: 82 81 95 68 123 79 67 96 124 109 278 0.815 40.66 23.3 79 88 62 88 278 26.3 2.682 0.188 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0000 2059.1 8.3 scans 54% 138 m/z 0.47% 0.0872% 6287 1.2 202 106312 5109213 4867889 1-1 17: 138 109 120 69 121 124 83 139 65 82 262 92 93 68 95 81 39 0.943 41.00 673.3 79 100 96 100 262 27.3 1.818 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2421 2089.1 8.0 scans 44% 79 m/z 0.76% 0.0675% 6328 1.0 177 65397 3953740 3701399 2-1 18: 79 67 95 80 91 108 121 81 77 94 93 107 122 135 105 59 78 87 0.708 41.26 -1.9 92 96 78 93 264 14.4 0.663 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4475 2114.6 8.6 scans 76% 205 m/z 0.25% 0.369% 6362 0.7 391 200174 21630468 20028351 3-2 20: 205 217 57 175 189 220 177 232 55 41 91 261 203 191 192 161 109 135 163 115 0.923 41.49 -82.0 85 100 92 99 276 26.4 0.456 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8324 2138.6 8.3 scans 53% 57 m/z (239) 0.98% 0.0761% 6428 1.0 166 50845 0.0879% 4458562 3759670 5145955 4-1 20: 57 71 84 85 43 70 55 97 69 111 41 99 125 83 56 113 252 81 126 169 0.942 41.48 19.6 64 69 84 74 268 2.1 0.000 0.349 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0048 2148.3 7.8 scans 87% 74 m/z 0.039% 0.829% 6457 0.8 612 1264637 48579123 45933386 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 83 239 129 59 185 97 101 171 199 0.958 42.01 746.3 80 99 96 99 272 14.6 0.057 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3271 2166.4 8.0 scans 85% TIC 0.12% 0.298% 6512 0.9 369 414945 17473875 15821160 3-6 0.968 42.37 757.4 75 92 95 98 503 62.7 2.889 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3035 2221.2 >12 scans 13% TIC 3.8% 0.00247% 6677 0.0 49 13129 0.00600% 144887 136535 351260 1-0 0.467 43.31 -0.2 78 85 36 83 278 14.7 9.177 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8478 2251.7 8.4 scans 46% 71 m/z (205) 1.1% 0.0467% 6770 1.1 132 42163 2738553 2461394 2-3 17: 71 85 43 127 267 268 113 126 239 84 183 58 155 266 141 72 86 0.931 43.94 -5.0 61 66 85 82 282 5.4 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1566 2326.9 8.9 scans 44% TIC 2.8% 0.0279% 6991 1.2 115 17721 0.0339% 1635769 1521841 1984618 3-0 0.639 44.90 14.7 81 85 59 82 272 9.5 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7876 2363.3 9.3 scans 54% TIC 0.79% 0.0411% 7098 1.2 136 62652 2408615 2175752 3-1 0.828 45.78 0.7 96 98 81 97 503 13.5 0.982 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9122 2370.4 7.7 scans 86% TIC 0.068% 0.545% 7119 1.4 482 730371 31947580 29132086 2-3 0.959 45.92 891.7 79 99 97 99 298 81.0 2.817 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0999 2381.2 8.1 scans 68% 79 m/z (87) 0.60% 0.107% 7150 1.1 205 82759 6283315 5665181 2-5 19: 79 93 95 67 108 80 81 41 91 107 94 77 121 135 109 236 78 149 68 0.944 46.13 -2.0 91 96 91 96 292 16.7 0.661 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN HCMIX_~1-N1022 ? Henicosane 46.2038 2387.2 >15 scans 10% 71 m/z (264) 11% 0.00674% 7166 1.5 35 4527 394651 285861 0-5 2: 71 86 0.673 46.28 -4.5 70 86 57 77 296 3.6 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7587 2419.1 8.3 scans 82% TIC 0.19% 0.176% 7262 0.9 278 251407 10306125 9509607 3-2 0.951 46.76 924.0 79 99 95 99 298 51.4 3.421 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4954 2461.6 7.8 scans 30% 120 m/z (73) 4.1% 0.00841% 7387 1.3 58 12201 492522 435111 7-2 6: 120 138 121 92 168 306 0.789 47.50 948.8 72 97 78 95 168 7.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6784 2472.1 7.0 scans 30% 221 m/z 3.4% 0.00692% 7418 1.0 59 14448 405347 368743 1-5 17: 221 295 73 147 223 297 222 296 281 369 133 371 370 357 74 208 148 0.715 44.32 1024.8 68 97 69 94 369 15.0 6.445 3.358 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9252 2543.9 8.0 scans 60% 73 m/z (105) 1.5% 0.0227% 7629 1.2 97 31884 1329839 1222954 2-4 20: 73 147 355 429 221 356 430 431 222 207 148 357 282 223 205 297 343 208 325 149 0.809 48.95 993.5 70 96 85 99 429 27.9 8.300 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3515 2625.9 8.1 scans 75% 74 m/z 0.58% 0.0640% 7871 1.1 166 85971 3748264 3515109 2-5 20: 74 87 43 75 326 143 55 57 283 69 41 97 83 199 241 101 171 71 59 327 0.864 50.36 1038.9 77 99 87 97 326 34.3 4.262 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8444 2711.8 8.5 scans 51% 73 m/z 2.0% 0.0155% 8124 1.2 79 24081 907754 808881 3-6 20: 73 147 221 355 429 281 207 356 223 431 357 430 369 327 296 283 149 505 279 503 0.714 51.86 1080.9 75 97 71 95 503 13.3 2.821 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1847 773.2 5.0 scans 90% 77 m/z 0.031% 0.280% 50 2.2 384 1383372 12443245 10329544 1-7 15: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 64 0.990 4.37 19.2 100 100 99 100 77 328.1 72.950 -0.186 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1016 ?? Pivalic acid 6.1257 823.7 >9 scans 26% 87 m/z (83) 6.7% 0.00221% 380 0.7 31 6416 0.00240% 98060 95047 106371 0-1 2: 87 59 0.781 6.03 -137.9 66 95 78 93 102 4.4 2.060 0.093 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5861 835.7 18.8 scans 69% 207 m/z 0.48% 0.0530% 457 2.9 106 88025 2350088 2184802 1-2 20: 207 208 209 191 133 210 192 165 193 163 178 119 149 134 82 75 177 147 176 161 0.800 6.53 -141.1 80 100 82 99 207 82.8 61.132 0.058 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6847 864.3 8.8 scans 77% 55 m/z 1.1% 0.0767% 643 2.3 154 39051 3400976 3047715 2-2 19: 55 41 69 83 39 42 57 98 70 97 53 80 43 56 81 79 54 68 38 0.877 7.71 9.0 99 99 90 98 98 39.9 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.9098 1000.4 9.9 scans 36% 281 m/z (114) 0.49% 0.0579% 1528 2.2 123 86278 2568006 2300390 5-3 20: 281 43 282 283 71 108 99 191 250 193 265 249 133 111 87 83 42 45 93 267 0.628 12.22 54.1 86 98 79 99 281 81.9 44.168 0.690 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.3135 1011.3 9.7 scans 84% 81 m/z (136) 0.29% 0.119% 1597 2.0 181 143804 5296472 4887487 2-2 18: 81 110 53 39 79 67 41 65 51 77 82 109 66 95 50 54 111 38 0.985 13.22 47.7 89 96 97 99 110 52.1 8.288 0.092 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1022 ?? Octanal 13.5432 1017.5 8.1 scans 66% 84 m/z (71) 2.8% 0.0356% 1635 1.6 115 15250 1579562 1504141 1-3 16: 84 57 56 41 43 55 44 82 100 42 85 67 109 69 83 99 0.906 12.96 -157.3 69 90 93 98 110 12.7 1.228 0.588 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1024 ?? p-Cymene 14.2652 1037.1 8.0 scans 21% 119 m/z (53) 5.5% 0.00288% 1758 1.5 32 7696 127721 110363 1-2 3: 119 134 120 0.658 13.76 -162.4 64 94 66 95 134 13.3 16.779 0.508 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1016 ? Limonene 14.4263 1041.5 8.3 scans 84% TIC 0.40% 0.157% 1785 1.2 243 105864 6986642 6140861 2-8 0.937 13.89 66.2 79 87 89 99 136 46.1 3.592 0.534 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5999 1046.2 10.3 scans 65% 79 m/z (115) 0.97% 0.0537% 1814 1.7 124 44009 2380922 2217366 1-3 18: 79 108 107 77 51 91 78 90 63 109 52 50 65 89 61 105 62 38 0.959 14.11 67.2 86 100 98 99 108 55.7 20.197 0.491 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9281 1055.1 9.4 scans 91% 91 m/z 0.035% 0.618% 1870 1.3 444 1205257 27433546 25033522 2-4 20: 91 92 120 65 63 39 89 51 50 62 64 90 121 93 38 66 74 61 52 77 0.991 14.44 70.3 88 100 99 100 120 144.4 10.588 0.486 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.4340 1068.8 7.5 scans 41% 70 m/z (94) 5.1% 0.0119% 1956 1.1 70 8319 531450 476328 1-1 12: 70 55 83 57 69 42 98 93 68 84 58 38 0.824 18.83 16.1 68 69 79 84 122 0.0 0.000 -3.396 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5952 1073.1 >12 scans 88% 105 m/z 0.11% 0.257% 1983 1.1 287 373822 0.470% 11430047 10996865 20831084 2-0 20: 105 77 123 51 46 106 50 78 124 74 79 94 76 52 66 73 64 49 53 75 0.978 15.17 75.7 86 99 98 99 123 103.0 12.889 0.425 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN 98-86-2 ? Acetophenone 15.6808 1075.4 9.9 scans 76% 105 m/z 0.11% 0.218% 1998 1.0 283 362902 0.332% 9664818 9258650 14714723 0-1 20: 105 77 120 51 106 78 43 50 121 74 76 63 75 39 91 65 62 52 89 140 0.983 15.29 -170.3 79 98 97 99 120 100.6 12.617 0.388 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8201 1079.2 8.9 scans 63% TIC 0.17% 0.171% 2021 1.5 253 240479 7583439 6790086 1-2 0.765 15.43 77.5 76 92 80 98 124 78.7 9.684 0.387 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.5456 1098.9 >11 scans 25% 132 m/z (135) 7.0% 0.00544% 2145 0.8 43 6122 241308 214008 2-1 5: 132 81 131 99 64 0.809 16.25 -175.7 70 95 79 96 132 20.5 22.606 0.292 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1002 Undecane 16.9187 1114.0 >10 scans 42% TIC 3.3% 0.00746% 2208 0.7 70 12662 330748 298082 1-1 0.794 16.59 14.0 89 92 84 93 156 8.7 1.546 0.332 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0793 1120.8 8.3 scans 89% TIC 0.21% 0.345% 2235 1.0 358 203383 15329695 13265911 6-5 0.979 16.82 -170.6 77 97 96 96 124 22.7 0.000 0.264 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0804 1120.8 8.2 scans 87% 57 m/z 0.21% 0.331% 2235 1.2 356 201186 14694928 13229776 5-5 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 96 67 39 42 71 54 45 0.983 16.82 98.4 78 97 97 97 124 22.7 0.408 0.265 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2699 1128.9 9.0 scans 75% TIC 0.39% 0.105% 2267 1.4 203 110008 0.122% 4668871 4470259 5407217 1-0 0.919 16.97 104.2 76 95 91 99 128 48.9 5.777 0.302 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN M4942-N1008 ? Phenylethyl Alcohol 17.3502 1132.2 10.7 scans 43% 91 m/z (71) 1.0% 0.0315% 2280 1.7 90 41414 1397595 1205937 10-1 4: 91 92 122 89 0.842 17.89 -192.0 74 97 93 98 122 29.8 10.911 -0.539 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3502 1132.2 10.7 scans 38% 91 m/z (120) 1.0% 0.0279% 2280 1.7 85 40577 1237483 1067782 10-1 4: 91 92 122 89 0.893 17.05 106.2 74 98 91 98 122 30.3 12.752 0.298 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.2800 1171.5 10.3 scans 65% 73 m/z (325) 0.67% 0.0592% 2439 1.6 136 63826 2625659 2429893 2-1 19: 73 267 355 356 357 268 269 251 193 78 270 74 163 179 195 208 154 205 252 0.881 18.09 129.9 73 97 87 97 355 57.3 17.829 0.188 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2800 1171.5 10.3 scans 66% 73 m/z 0.67% 0.0573% 2439 1.6 137 64172 2541949 2352425 2-1 19: 73 267 355 356 357 268 269 251 193 78 270 74 163 179 195 208 154 205 252 0.866 18.13 -160.2 78 98 83 98 355 57.6 17.759 0.149 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.4010 1176.6 >11 scans 58% TIC 0.63% 0.0477% 2459 1.2 153 67237 2114773 2018757 1-0 0.945 18.22 133.1 79 99 95 99 144 62.7 16.744 0.180 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN M4942-N1002 ? Pyranone 18.4146 1177.2 >9 scans 64% 73 m/z 0.63% 0.0346% 2461 0.4 156 67311 1537762 1391053 1-0 7: 73 42 49 41 67 126 86 0.935 20.04 -213.3 78 98 94 97 144 60.0 14.801 -1.627 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9282 1198.9 8.8 scans 8.9% 98 m/z (73) 2.7% 0.0290% 2548 1.0 101 15426 1288996 1148318 2-1 11: 98 100 125 107 99 91 135 80 112 95 92 0.896 18.71 148.1 70 96 89 96 153 2.6 0.000 0.222 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1004 ? Octanoic acid 19.4990 1223.0 >20 scans 87% 60 m/z 0.18% 0.769% 2645 0.1 401 234916 34126757 31698327 1-3 20: 60 69 85 73 41 97 55 101 115 57 87 43 88 45 39 108 42 83 82 74 0.957 19.87 154.7 77 95 89 99 144 0.0 0.000 -0.372 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 19.4990 1223.0 >20 scans 77% 60 m/z (98) 0.17% 0.732% 2645 0.1 377 250377 32452059 30142799 1-3 20: 60 69 85 73 41 97 55 101 115 57 87 43 88 45 39 108 42 83 82 74 0.991 22.03 -86.1 69 85 87 91 175 0.0 0.000 -2.535 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.7723 1234.6 12.0 scans 59% 105 m/z 0.54% 0.0716% 2691 0.5 144 79564 3174749 2993733 1-2 19: 105 122 77 51 50 106 74 123 78 133 76 91 75 38 65 94 53 66 37 0.901 20.03 163.9 74 95 91 95 122 72.0 24.968 -0.257 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1012 ?? Nicotine 19.8951 1239.8 9.6 scans 3.1% 133 m/z 5.2% 0.00185% 2712 1.1 25 8166 82358 72814 0-2 1: 133 0.427 25.78 84.5 61 100 100 100 162 0.0 0.000 -5.883 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4518 1261.7 11.8 scans 25% 70 m/z (107) 4.6% 0.0104% 2806 1.9 53 9294 464603 401691 3-1 9: 70 170 39 71 113 42 106 115 72 0.733 20.32 4.0 84 96 81 93 170 5.7 0.000 0.132 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1024 ? Hexadecane 20.4701 1262.2 12.5 scans 19% 57 m/z (70) 6.9% 0.00796% 2809 1.0 44 6215 353142 315963 2-2 8: 57 71 43 85 41 83 99 73 0.571 33.32 -4.8 73 94 75 91 226 0.0 0.000 -12.849 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1034 ? Decanal 20.6679 1268.1 8.5 scans 84% TIC 0.32% 0.281% 2843 0.8 324 131692 12485727 11375924 2-2 0.968 20.57 -138.9 77 97 97 98 138 18.2 0.316 0.099 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0846 1280.6 10.0 scans 47% 94 m/z (73) 0.23% 0.0809% 2913 1.8 156 184178 3586008 3374319 2-2 10: 94 138 66 45 139 88 87 38 143 144 0.655 20.98 195.6 73 98 62 97 152 4.3 0.000 0.102 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1378 1282.2 8.9 scans 74% 137 m/z (94) 0.42% 0.183% 2922 1.0 253 100511 8154637 7353818 3-3 16: 137 152 123 109 81 67 91 41 93 119 55 53 153 110 105 69 0.976 21.00 196.9 63 87 79 86 155 0.0 0.000 0.137 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3261 1287.9 10.0 scans 17% 281 m/z (135) 2.1% 0.00951% 2954 1.8 51 19681 421496 390890 1-3 13: 281 191 265 282 193 207 284 267 283 179 194 251 165 0.632 12.25 134.8 74 98 64 97 281 39.1 58.752 9.075 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1042 ? Phytol 21.4017 1290.2 8.7 scans 38% 56 m/z (135) 4.3% 0.0248% 2967 1.0 91 9979 1100828 987632 5-2 13: 56 57 126 123 41 70 71 95 96 124 67 111 98 0.795 35.35 -7.2 73 84 77 84 196 0.0 0.000 -13.945 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9908 1337.9 8.7 scans 59% 69 m/z (83) 0.28% 0.142% 3236 0.9 218 150042 6324713 5626204 4-3 10: 69 109 43 86 110 128 127 170 173 188 0.877 22.91 224.3 71 95 86 95 127 32.8 0.000 0.078 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.5074 1353.4 >21 scans 84% 73 m/z 0.16% 0.625% 3324 0.1 362 259282 27732864 26313416 0-4 20: 73 60 57 55 115 43 129 41 98 69 45 87 39 42 61 56 101 83 96 74 0.978 22.70 -121.9 76 95 94 99 158 24.8 0.470 0.811 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1378 1373.2 7.3 scans 51% 73 m/z 0.34% 0.0771% 3431 1.0 187 124681 3421405 3127642 2-8 20: 73 341 429 325 342 147 343 430 431 326 74 327 207 251 148 191 45 44 432 75 0.886 24.17 -150.6 79 99 87 98 429 52.6 7.912 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 24.5971 1388.6 8.8 scans 57% 57 m/z (111) 0.80% 0.0651% 3509 1.5 150 53470 2887941 2743326 1-2 13: 57 71 85 43 70 84 113 127 99 155 169 72 212 0.928 24.54 251.3 68 93 90 96 169 17.3 1.319 0.055 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1006 ? Tridecane 24.5971 1388.6 8.8 scans 67% 57 m/z (87) 0.69% 0.0760% 3509 1.5 163 61666 3372246 3203379 1-2 13: 57 71 85 43 70 84 113 127 99 155 169 72 212 0.947 23.86 24.6 75 78 92 83 184 0.0 0.000 0.735 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7412 1393.4 8.7 scans 53% 43 m/z 1.2% 0.0302% 3533 1.2 115 35057 1339341 1198425 1-4 20: 43 83 41 69 55 142 82 56 113 58 85 70 39 111 67 93 127 68 100 143 0.850 24.70 253.8 66 89 78 94 170 4.3 0.000 0.045 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1032 ?? Dodecane 25.2359 1409.9 11.5 scans 20% 71 m/z (147) 2.3% 0.0217% 3617 0.9 77 18642 964772 928038 1-2 15: 71 57 85 86 155 127 41 73 70 56 99 92 113 144 117 0.709 20.36 9.7 61 72 66 75 170 2.8 0.000 4.878 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2506 1410.4 7.2 scans 47% 43 m/z 0.42% 0.0311% 3619 0.9 119 100884 1382059 1252305 5-5 13: 43 103 145 116 115 44 74 151 146 61 144 104 86 0.944 25.24 -149.5 79 100 96 100 145 43.8 13.510 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5523 1420.5 19.7 scans 94% 84 m/z 0.0081% 7.61% 3670 0.4 1184 5303819 337334804 320300076 0-5 20: 84 133 161 162 42 119 92 118 82 130 134 65 78 51 117 63 91 163 120 104 0.995 25.89 263.5 78 97 96 97 162 313.5 7.014 -0.340 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1072 1472.4 6.8 scans 22% 221 m/z 3.0% 0.00827% 3933 1.0 65 14048 366691 348898 1-2 14: 221 73 147 281 282 355 223 222 356 283 207 191 268 269 0.738 27.12 297.5 71 95 75 93 355 11.6 3.211 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1042 ?? Contamination 27.21min 27.1072 1472.4 6.8 scans 28% 221 m/z (57) 3.0% 0.0108% 3933 1.0 72 13887 479581 456310 1-2 14: 221 73 147 281 282 355 223 222 356 283 207 191 268 269 0.781 27.22 -155.4 68 93 50 91 443 7.7 0.000 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1934 1475.3 8.3 scans 65% 57 m/z 0.63% 0.0466% 3948 1.0 149 67421 0.0952% 2067824 1989119 4219402 1-0 20: 57 71 85 43 41 56 99 55 112 70 84 127 42 98 97 69 126 198 72 86 0.942 27.21 -0.5 93 94 89 93 198 18.8 1.593 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0246 1506.5 15.2 scans 75% 118 m/z (190) 0.31% 0.201% 4089 1.8 209 136674 8913657 8501377 1-3 18: 118 146 145 78 51 64 119 63 39 42 116 59 90 58 82 52 65 89 0.966 27.93 319.8 77 98 96 99 146 88.3 17.813 0.094 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4101 1521.0 8.6 scans 75% 80 m/z 0.16% 0.143% 4154 1.2 238 265518 6382212 5975218 2-2 20: 80 171 84 104 53 78 170 77 91 172 51 65 81 103 105 79 52 63 115 50 0.953 28.39 327.6 78 98 93 97 171 106.4 20.010 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6763 1531.0 8.0 scans 76% 43 m/z (166) 0.14% 0.296% 4199 1.0 330 293559 13136077 11366172 7-11 19: 43 69 41 151 136 107 67 125 93 109 53 83 39 81 121 68 108 77 79 0.980 28.67 333.6 78 99 99 100 194 20.9 0.401 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1078 1547.2 7.6 scans 62% 71 m/z 0.15% 0.252% 4272 1.1 348 277720 0.333% 11191489 10523617 14759044 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 69 97 183 149 67 42 39 0.805 29.10 343.3 69 93 88 91 227 6.5 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1078 1547.2 7.6 scans 65% 71 m/z (170) 0.15% 0.316% 4272 1.1 357 275552 0.418% 14038543 13200768 18526368 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 69 97 183 149 67 42 39 0.812 29.09 343.5 70 97 76 94 220 46.0 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5181 1562.6 7.5 scans 93% 73 m/z 0.020% 2.08% 4342 0.8 958 2115107 92277135 87688277 2-2 20: 73 281 147 327 282 341 415 503 221 328 399 416 329 504 325 207 505 343 75 383 0.987 29.61 -150.5 80 99 98 99 503 141.6 2.185 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6840 1568.8 8.2 scans 55% 177 m/z 0.034% 0.732% 4370 0.7 556 1241852 32444425 29949725 2-1 20: 177 43 91 135 77 93 105 107 121 149 133 119 122 41 95 192 39 109 65 55 0.620 29.68 356.3 72 98 50 92 192 68.7 1.527 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7773 1572.4 7.8 scans 56% 123 m/z 0.052% 0.253% 4386 1.0 332 815502 11218351 10224103 0-4 17: 123 135 124 107 91 95 79 109 77 93 81 39 53 67 125 105 193 0.820 29.77 358.4 78 98 79 98 193 29.5 0.788 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1787 1587.4 8.1 scans 68% 57 m/z (163) 0.40% 0.142% 4454 1.2 235 105321 0.228% 6328585 5952955 10105292 1-0 20: 57 85 71 43 41 99 55 84 113 70 56 127 69 98 155 83 183 86 169 141 0.943 30.38 -7.5 80 83 94 85 212 3.1 0.000 -0.198 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2460 1590.0 7.6 scans 41% 71 m/z 0.68% 0.0282% 4465 1.0 165 62383 0.105% 1253753 1186720 4653753 0-1 20: 71 85 57 43 99 113 41 69 127 55 84 70 155 169 83 126 56 111 125 72 0.919 29.94 373.6 71 94 92 94 254 6.8 0.000 0.305 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5110 1600.5 7.9 scans 79% 191 m/z 0.030% 0.567% 4510 1.0 494 1417697 25133061 23225067 2-5 20: 191 206 192 57 163 74 175 91 115 41 107 207 77 73 88 128 147 133 105 117 0.958 30.50 375.7 80 100 96 99 206 132.4 7.192 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8900 1616.5 9.3 scans 50% 162 m/z (111) 0.78% 0.0717% 4574 1.2 155 54629 3182213 2930994 2-2 18: 162 161 147 105 119 134 204 163 148 77 145 165 115 92 117 51 131 103 0.855 30.88 0.5 89 94 75 95 204 23.5 2.300 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2277 1630.6 11.6 scans 67% TIC 0.092% 0.563% 4631 0.8 410 462762 24956662 23033330 2-1 0.802 31.18 395.6 75 97 84 97 180 93.1 5.155 0.050 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2283 1630.7 9.6 scans 76% 111 m/z (71 71) 0.096% 0.595% 4631 0.6 436 445513 26379299 23673141 3-2 19: 111 109 137 180 67 110 124 95 152 79 73 81 39 94 77 93 112 91 65 0.969 31.20 395.3 70 94 93 96 180 92.9 4.536 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5305 1643.4 10.2 scans 46% 43 m/z 0.48% 0.0643% 4682 1.0 158 88112 2851783 2600095 2-0 20: 43 98 71 57 111 151 166 55 41 82 99 83 68 39 67 69 112 107 70 123 0.695 31.52 0.7 90 95 76 93 166 31.3 3.923 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8039 1654.9 8.9 scans 11% 193 m/z (57) 2.5% 0.00748% 4729 1.0 51 16824 331619 310461 3-1 2: 193 194 0.603 31.80 0.4 65 78 32 79 208 13.4 6.885 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9208 1659.8 7.5 scans 47% TIC 0.92% 0.0297% 4749 1.0 142 46300 1318843 1296836 1-0 0.770 31.92 0.1 75 83 62 81 219 3.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0565 1665.5 6.9 scans 33% 221 m/z 0.65% 0.0403% 4772 1.1 140 65382 1789741 1700378 2-1 19: 221 73 147 295 222 207 223 341 355 281 148 325 74 357 208 297 267 342 298 0.800 32.08 -0.9 95 97 84 97 355 22.7 2.625 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2378 1673.1 8.7 scans 58% 57 m/z 0.54% 0.0758% 4802 1.0 186 78766 3362289 2947752 2-1 20: 57 71 43 85 41 183 99 56 55 182 211 113 149 70 105 42 77 83 127 53 0.854 32.24 -0.0 89 94 92 93 226 8.4 0.202 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4414 1681.7 >12 scans 37% TIC 0.97% 0.0323% 4837 0.9 130 44061 1432793 1349934 0-1 0.675 32.44 -0.0 84 93 71 89 226 4.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6829 1691.8 8.8 scans 72% 205 m/z (171) 1.2% 0.151% 4878 0.9 236 35471 6711218 6204770 2-2 20: 205 91 119 105 43 93 159 79 107 162 147 77 187 131 41 106 133 146 121 145 0.961 32.67 0.3 93 95 91 98 220 12.7 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 32.7525 1694.7 >6 scans 8.0% 172 m/z (207) 5.6% 0.00322% 4890 999.0 39 7665 0.00493% 142911 130890 218505 0-3 3: 172 171 130 0.699 30.93 76.7 63 84 60 87 171 23.0 35.149 1.826 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8777 1700.0 >12 scans 33% 92 m/z (71) 1.5% 0.0541% 4911 0.9 130 26941 0.116% 2398724 2352102 5141289 1-0 19: 92 55 105 216 220 191 131 168 109 152 67 164 137 135 81 134 69 165 80 0.881 32.87 0.5 73 80 82 85 186 4.3 0.112 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9379 1702.5 7.7 scans 69% 71 m/z 0.078% 0.199% 4921 0.9 294 545414 8848645 8271635 7-2 14: 71 43 159 111 56 243 72 155 173 143 98 89 73 229 0.930 32.93 0.2 94 94 89 98 243 45.4 2.385 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1212 ? Hexadecene 33.0855 1708.7 7.9 scans 24% 97 m/z 3.0% 0.0137% 4947 1.2 95 14247 607469 557206 1-2 19: 97 83 147 55 69 57 41 70 85 56 91 125 98 100 82 101 42 67 39 0.651 33.09 0.0 72 83 74 80 224 2.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3104 1718.2 7.2 scans 65% 57 m/z (165) 0.41% 0.0962% 4984 0.7 201 102823 4264671 3900725 3-1 17: 57 71 43 85 41 55 99 56 70 226 113 42 98 84 112 58 141 0.978 33.37 -2.6 95 98 98 98 226 23.1 1.326 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8352 1727.4 7.9 scans 16% 217 m/z 0.84% 0.0176% 5073 1.1 84 51117 781841 724426 2-3 9: 217 232 218 189 233 87 201 157 173 0.752 33.83 452.7 69 92 56 93 232 38.3 20.565 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8901 1728.2 >10 scans 55% TIC 0.91% 0.0321% 5082 1.1 146 46787 0.0749% 1426518 1322077 3319677 0-1 0.833 33.90 -0.1 91 97 89 96 197 27.0 3.395 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.6 scans 20% 57 m/z (173) 2.4% 0.0109% 5147 1.0 71 17394 484964 484964 0-0 19: 57 71 85 211 41 183 43 98 210 113 169 184 100 127 159 197 162 141 54 0.846 34.27 0.1 86 94 82 91 211 14.3 4.065 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3942 1735.4 12.3 scans 83% 73 m/z 0.010% 6.41% 5168 0.3 1359 4189450 284324247 278548578 2-1 20: 73 221 147 281 356 282 267 415 207 223 327 283 133 341 328 265 205 45 399 59 0.850 34.39 452.4 81 100 82 100 415 166.7 1.506 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8340 1741.7 15.4 scans 88% 91 m/z 0.032% 1.62% 5242 0.3 614 1340925 72083126 66725807 1-2 20: 91 155 199 90 65 184 92 44 89 120 137 63 106 77 39 64 51 134 156 62 0.985 34.79 452.7 80 100 98 99 199 172.3 7.878 0.048 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9149 1742.9 13.6 scans 28% 55 m/z (57 71) 1.5% 0.0596% 5256 1.7 122 26892 2642097 2350431 1-1 20: 55 97 41 152 111 56 123 81 84 154 220 96 180 98 177 53 93 54 131 134 0.868 34.90 0.2 84 93 89 94 224 15.0 1.515 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6936 1754.0 9.7 scans 25% TIC 0.38% 0.0485% 5388 1.1 152 112618 2151392 1956849 3-2 0.437 35.70 451.3 72 95 51 94 224 44.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4858 1765.3 6.9 scans 12% 221 m/z (204) 0.94% 0.0386% 5522 1.1 133 45356 1711045 1576830 1-3 15: 221 73 147 295 281 369 341 296 297 267 148 342 283 327 209 0.894 36.58 448.8 73 97 89 97 369 19.0 2.043 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2024 1775.6 8.1 scans 59% 209 m/z 0.16% 0.178% 5643 1.0 273 259629 7925919 7469412 2-2 20: 209 224 181 165 167 210 105 178 166 179 103 194 115 225 77 91 152 193 119 104 0.919 37.20 449.3 79 99 91 99 224 87.2 10.191 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.7 scans 48% 57 m/z 0.64% 0.0566% 5788 1.0 160 66491 2511733 2368331 1-1 20: 57 71 85 43 56 41 99 55 155 113 69 224 127 70 98 225 141 175 169 196 0.820 38.06 448.1 74 96 82 94 225 29.0 3.287 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5797 1795.3 11.4 scans 91% 73 m/z 0.011% 5.85% 5877 0.4 1345 3745906 259550604 242941420 2-2 20: 73 147 430 431 295 148 327 191 205 296 209 59 279 117 339 251 460 193 476 268 0.954 38.59 447.2 80 99 95 99 429 381.4 8.053 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8117 1798.6 11.7 scans 47% 71 m/z (239) 0.85% 0.0643% 5916 1.1 134 50118 2852841 2633580 1-1 20: 71 56 126 85 41 99 55 183 113 44 182 69 155 141 70 72 429 128 197 58 0.941 38.91 -1.4 83 89 86 90 254 10.3 0.587 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8530 1916.9 14.6 scans 94% 95 m/z 0.019% 9.17% 6092 0.2 1489 2218527 406546037 375021859 1-11 20: 95 82 57 55 43 67 83 41 71 96 111 79 56 70 53 94 138 42 93 77 0.999 39.94 547.8 81 100 100 100 278 84.7 0.323 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9180 1925.0 6.4 scans 70% 58 m/z (211) 0.37% 0.148% 6103 1.3 272 115081 6597628 6170170 0-4 18: 58 43 71 59 109 55 110 69 95 41 124 70 83 56 81 250 96 123 0.984 39.88 556.7 76 98 99 99 250 27.1 0.991 0.035 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3200 1974.8 7.9 scans 52% 149 m/z 0.12% 0.0969% 6172 1.0 203 350756 4297459 3984891 2-3 14: 149 150 223 104 76 167 65 205 121 105 122 132 39 148 0.859 40.31 599.9 78 99 82 98 223 45.8 5.107 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN N406_R~1-N1110 ? Phytol 40.3837 1982.7 >9 scans 4.7% TIC 4.6% 0.00100% 6182 1.0 42 9243 0.0100% 44458 44458 443215 0-0 0.133 40.66 -34.5 70 86 8 80 278 12.5 0.000 -0.278 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5957 2009.0 7.4 scans 20% 221 m/z 2.9% 0.00949% 6218 1.0 68 14456 420885 383455 2-6 14: 221 73 147 295 281 222 207 223 74 265 355 282 369 208 0.799 40.63 628.9 70 94 73 91 369 11.9 3.018 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1254 Phytol 40.8471 2040.2 7.4 scans 33% 82 m/z 1.7% 0.0317% 6261 1.2 128 23903 1407498 1299535 1-4 12: 82 81 95 71 123 68 67 79 96 278 109 124 0.573 40.87 -2.5 92 96 66 94 278 18.0 1.985 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BQLD_R~1-N1056 ? Homosalate 41.0006 2059.2 8.2 scans 29% 138 m/z 1.5% 0.0261% 6287 1.1 105 28539 1157069 1045858 2-2 9: 138 120 109 121 124 139 92 65 263 0.736 41.00 673.4 75 99 75 98 262 15.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2374 2088.5 8.6 scans 47% 79 m/z (169) 1.7% 0.0539% 6327 1.3 141 25108 2391387 2211721 2-2 16: 79 67 93 95 80 81 108 121 91 125 77 107 208 94 135 117 0.907 41.26 -2.5 89 95 88 94 264 9.2 0.421 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5390 2122.1 13.4 scans 93% 205 m/z 0.052% 3.11% 6378 0.2 893 823847 138030507 130989974 1-1 20: 205 57 175 220 55 91 41 191 261 161 77 109 135 105 115 133 67 159 79 128 0.993 41.49 -74.5 87 100 98 100 276 57.6 0.416 0.049 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8318 2138.6 8.1 scans 54% 57 m/z (154) 1.5% 0.0532% 6428 0.9 146 27260 2358179 2282532 1-0 20: 57 71 84 43 70 85 55 97 83 125 69 98 41 81 99 126 68 113 127 155 0.941 41.48 19.6 62 65 81 71 268 1.9 0.000 0.349 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9983 2147.9 8.1 scans 83% 74 m/z 0.078% 0.482% 6456 0.9 451 547241 21386493 19874392 3-2 20: 74 87 43 55 143 75 41 227 270 57 69 239 59 83 97 185 88 101 199 171 0.946 42.01 745.9 80 99 95 99 272 10.5 0.054 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3070 2165.3 9.0 scans 89% 73 m/z 0.060% 0.727% 6508 1.2 517 714369 32243538 30099682 2-3 20: 73 147 281 221 355 207 429 341 282 503 148 74 283 356 295 430 415 504 267 327 0.978 42.37 756.3 76 93 96 100 503 70.0 1.836 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.3100 2221.6 10.1 scans 68% 263 m/z (205) 0.33% 0.139% 6678 1.4 196 127372 6170621 5567415 2-3 19: 263 278 264 57 147 219 128 129 235 91 161 117 279 110 217 185 186 187 143 0.912 43.31 0.2 80 84 65 83 278 51.5 6.930 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8507 2251.9 8.6 scans 48% 71 m/z (221) 1.8% 0.0343% 6769 1.1 110 22688 1522083 1431491 2-4 18: 71 57 85 43 127 267 112 55 99 126 84 113 70 169 239 141 266 155 0.916 43.94 -4.8 61 62 80 80 282 4.3 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2823 2276.6 6.7 scans 16% 221 m/z (257) 7.4% 0.00394% 6843 1.1 42 5782 174762 158889 4-3 6: 221 222 295 369 297 296 0.707 44.32 829.3 68 99 76 96 369 7.9 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1234 ? Thunbergol 45.1477 2326.4 9.2 scans 23% TIC 6.9% 0.00889% 6989 1.5 66 6189 0.0111% 394283 374810 491968 1-0 0.383 44.90 14.2 74 83 35 77 272 5.0 0.000 0.247 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7711 2362.3 7.9 scans 54% 356 m/z 0.80% 0.0426% 7096 1.2 134 53258 1890785 1707811 2-2 19: 356 207 222 221 148 341 223 342 282 417 284 358 131 75 249 343 504 327 297 0.868 45.78 -0.3 95 96 83 95 503 10.9 0.663 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9110 2370.4 8.1 scans 85% TIC 0.10% 0.418% 7119 1.1 409 425100 18567151 16998483 2-3 0.943 45.92 891.7 79 100 97 99 298 63.9 2.435 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0946 2380.9 7.7 scans 71% 79 m/z (57) 0.95% 0.0763% 7150 1.1 175 45038 3384568 3150951 1-6 19: 79 67 93 95 80 108 81 91 41 94 107 77 121 135 59 149 109 78 105 0.944 46.13 -2.3 94 98 95 98 292 11.9 0.463 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN HCMIX_~1-N1022 ? Henicosane 46.6093 2410.5 8.8 scans 43% 71 m/z (165) 3.6% 0.0175% 7238 0.9 80 11860 778464 699555 1-1 19: 71 57 43 83 111 69 100 55 141 70 112 41 72 125 211 128 97 67 169 0.743 46.28 18.8 70 79 79 78 296 0.0 0.000 0.327 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7546 2418.9 8.1 scans 67% 74 m/z 0.47% 0.0732% 7262 1.0 176 90736 3246666 2996945 3-3 19: 74 87 143 75 55 43 298 255 41 199 69 97 88 83 59 101 129 256 267 0.888 46.76 923.8 78 99 87 97 298 32.0 3.297 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9223 2543.7 7.9 scans 45% 73 m/z 3.1% 0.00926% 7629 1.3 61 13672 410587 371121 2-6 20: 73 147 355 429 281 341 207 283 221 356 282 430 357 148 431 295 205 222 74 325 0.757 48.95 993.3 74 97 71 95 429 16.7 7.410 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BQLD_REP6.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3497 2625.8 7.9 scans 66% 74 m/z 1.0% 0.0339% 7870 1.1 120 39764 1505089 1360932 2-5 20: 74 87 43 75 143 55 69 57 283 41 101 83 88 97 326 327 185 129 71 59 0.815 50.36 1038.8 75 97 81 95 326 22.9 3.624 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1174 771.4 4.8 scans 87% 77 m/z (72) 0.047% 0.161% 39 3.2 318 1022137 0.163% 9791069 8167047 9856853 4-7 16: 77 45 78 79 62 76 59 75 63 47 61 46 92 64 80 65 0.999 4.37 17.4 99 100 100 100 77 270.0 72.235 -0.254 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1345 824.0 10.5 scans 50% 57 m/z (44) 1.0% 0.0234% 381 0.4 85 46043 1416250 1035880 2-8 13: 57 41 39 59 45 58 102 40 38 51 85 37 50 0.806 6.03 -137.6 70 95 87 97 102 9.3 1.208 0.102 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5147 833.9 17.9 scans 76% 207 m/z 0.48% 0.0487% 445 3.0 113 100599 2949659 2601587 2-2 20: 207 208 96 191 209 133 119 192 177 147 194 193 103 165 88 115 210 87 189 89 0.895 6.53 -142.9 80 100 89 99 207 84.7 56.545 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6269 862.8 8.6 scans 95% 55 m/z 0.22% 0.322% 634 1.8 363 215597 19496845 17724612 1-5 20: 55 41 69 83 39 42 57 98 70 97 56 43 53 80 54 40 68 79 51 38 0.995 7.71 7.5 100 99 99 100 98 76.0 4.378 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKSTART-N1004 ? Contamination 12.42min 11.4611 962.6 6.8 scans 4.3% 57 m/z (111) 14% 0.00135% 1282 1.2 28 3300 81883 81770 0-1 8: 57 43 85 41 71 42 70 99 0.761 12.42 12.9 71 75 70 80 281 0.0 0.000 -0.958 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2102 982.1 12.0 scans 54% TIC 0.35% 0.0684% 1410 2.8 153 137566 4138069 3877831 3-0 0.780 12.22 35.8 93 97 75 99 281 99.0 41.664 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6547 993.7 9.9 scans 82% 81 m/z (281) 0.33% 0.0885% 1485 2.1 174 145273 5352011 4943351 1-3 19: 81 110 53 39 79 41 67 68 65 82 77 51 95 50 66 109 40 54 91 0.979 13.22 30.1 93 96 96 99 110 50.0 8.246 -0.567 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1040 Decane 12.7917 997.3 7.1 scans 45% 57 m/z (107) 2.2% 0.0123% 1508 1.3 81 22078 745177 684576 1-2 14: 57 43 71 85 56 70 55 99 142 98 42 113 83 86 0.949 12.90 -2.7 94 97 94 98 142 11.8 2.095 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9097 1000.4 8.1 scans 50% 57 m/z (71) 4.6% 0.0171% 1529 1.9 82 10380 1034373 900010 1-3 14: 57 84 44 69 82 100 109 85 67 80 66 95 58 108 0.901 12.96 -174.4 67 96 88 94 110 6.7 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0833 1032.2 12.5 scans 53% 108 m/z (68) 2.8% 0.0186% 1727 1.9 73 17337 1130236 989103 2-2 12: 108 79 77 107 65 51 91 78 50 90 74 76 0.901 14.11 53.2 87 99 92 99 108 33.6 21.174 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4357 1041.7 9.5 scans 91% 91 m/z 0.051% 0.359% 1787 1.5 371 937571 21717566 19684705 2-5 20: 91 92 120 65 63 39 89 51 62 50 121 90 64 93 66 61 74 38 52 37 0.990 14.44 56.9 91 100 99 100 120 120.5 10.552 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1677 1061.5 >10 scans 71% 105 m/z 0.14% 0.163% 1911 0.9 257 332546 9910789 8577634 3-1 18: 105 77 123 46 51 50 106 124 78 76 79 75 52 47 80 38 67 63 0.977 15.17 64.1 89 99 97 99 123 93.6 13.303 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN 98-86-2 ? Acetophenone 15.2740 1064.4 9.4 scans 82% 105 m/z 0.024% 0.873% 1929 0.9 637 1981730 52815886 48518680 1-4 20: 105 77 120 51 50 106 78 43 121 74 76 63 75 39 52 91 65 62 38 89 0.992 15.29 -181.3 79 98 97 99 120 224.4 12.423 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4245 1068.5 9.2 scans 47% 95 m/z (83) 0.17% 0.179% 1954 1.6 265 281472 10871449 9691669 2-4 16: 95 81 124 79 43 109 53 82 96 65 66 67 125 63 123 54 0.905 15.43 66.8 84 97 93 98 124 80.7 9.280 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1002 Undecane 16.5952 1100.3 9.1 scans 53% 57 m/z (59) 1.3% 0.0285% 2153 0.9 113 37298 1727101 1648073 1-1 10: 57 56 69 156 98 126 93 67 68 121 0.871 16.59 0.3 88 94 86 95 156 11.6 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7734 1107.9 8.4 scans 77% 57 m/z (127) 0.37% 0.159% 2183 1.3 263 131074 9647309 8559727 6-4 19: 57 41 56 55 70 44 98 82 69 68 95 81 96 67 39 42 54 114 45 0.940 16.82 85.5 79 99 95 98 124 15.5 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9588 1115.7 9.0 scans 56% 71 m/z (126) 1.3% 0.0272% 2214 1.4 109 35144 1649995 1539952 1-2 15: 71 95 110 58 128 41 85 84 55 69 57 111 70 113 56 0.963 16.97 91.0 78 97 95 99 128 26.9 6.032 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0604 1162.2 8.4 scans 78% 73 m/z 0.25% 0.110% 2401 1.7 225 188265 6687260 6131531 2-2 20: 73 355 267 356 268 357 269 251 249 74 193 191 358 59 339 154 75 192 179 270 0.900 18.13 -169.5 80 100 88 99 355 96.5 18.408 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN M4942-N1002 ? Pyranone 18.1719 1167.0 10.8 scans 60% 144 m/z (87) 1.2% 0.0417% 2420 1.6 116 40471 2522306 2330930 2-2 9: 144 43 101 44 72 55 45 115 100 0.945 20.04 -223.5 72 95 87 94 144 52.1 20.311 -1.870 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1018 ? Pyranone 18.1719 1167.0 10.8 scans 51% 144 m/z 1.2% 0.0313% 2420 1.6 107 40306 1897773 1753782 2-2 9: 144 43 101 44 72 55 45 115 100 0.860 18.22 123.5 71 91 75 91 144 52.4 23.982 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2977 1172.3 >11 scans 12% 281 m/z (68) 9.6% 0.00274% 2441 1.9 31 5059 166000 139391 1-6 8: 281 282 207 283 265 144 133 191 0.388 12.25 19.2 74 88 23 88 281 19.0 36.922 6.047 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8361 1195.0 >9 scans 31% TIC 1.3% 0.0243% 2532 0.4 164 35417 1472294 1406962 1-0 0.918 18.83 142.3 60 75 82 97 122 8.8 0.289 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1236 1207.2 9.8 scans 2.6% 81 m/z (101) 2.0% 0.00999% 2581 1.1 65 23253 604217 528092 1-1 4: 81 54 95 124 0.711 19.12 150.1 68 98 81 96 97 14.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7546 1233.8 11.4 scans 0.49% 119 m/z (113) 4.4% 0.00541% 2687 1.9 43 11038 327212 312370 2-3 1: 119 0.933 13.76 34.3 71 80 67 80 134 16.7 15.244 5.998 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8142 1236.3 8.5 scans 14% 57 m/z (166) 0.22% 0.168% 2698 1.5 257 217704 10161494 8651023 3-4 18: 57 45 75 72 89 100 59 56 131 87 132 58 62 44 71 46 76 77 0.965 19.81 168.8 75 96 94 100 144 5.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1266 Octanoic acid 20.2900 1256.4 >9 scans 73% 60 m/z 0.056% 0.962% 2779 0.2 688 870541 2.01% 58221375 45648970 121547699 0-9 20: 60 69 85 73 41 55 97 101 87 43 115 88 45 39 83 82 42 56 108 98 0.948 22.03 -52.7 84 90 84 98 175 0.0 0.000 -1.744 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3131 1257.4 >6 scans 82% 71 m/z (115) 0.13% 0.195% 2783 3.8 349 370607 11796144 11036696 0-6 20: 71 57 43 170 113 112 70 41 127 72 99 126 84 171 140 98 56 58 83 44 0.990 20.32 -0.3 97 99 99 99 170 46.5 1.772 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 20.4217 1260.8 6.2 scans 72% 105 m/z 0.23% 0.0852% 2801 0.6 224 207384 5156104 4288724 1-12 17: 105 122 77 51 50 78 123 76 106 74 52 94 75 38 65 121 66 0.961 20.03 190.1 76 96 94 96 122 112.2 25.176 0.393 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1034 ? Decanal 20.5297 1264.0 8.9 scans 57% 57 m/z (60) 0.84% 0.0887% 2819 0.8 194 57845 5365466 4954957 2-2 18: 57 70 71 82 68 44 112 96 109 95 81 72 67 66 113 138 99 100 0.944 20.57 -143.0 72 95 93 95 138 11.2 0.331 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5297 1264.0 8.9 scans 68% 57 m/z (85) 0.81% 0.104% 2819 0.8 210 59984 6292647 5811200 2-2 18: 57 70 71 82 68 44 112 96 109 95 81 72 67 66 113 138 99 100 0.957 20.56 185.3 75 95 97 100 128 17.5 0.690 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1024 ? Hexadecane 20.7700 1271.2 7.8 scans 58% 57 m/z (59) 0.79% 0.0345% 2860 1.0 128 61444 2086903 1851810 4-2 14: 57 71 43 112 41 56 70 113 99 107 84 141 184 140 0.933 33.32 4.2 72 74 86 83 226 0.0 0.000 -12.549 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1006 ?? Arosol 20.9695 1277.2 16.5 scans 22% 94 m/z (137 92) 1.3% 0.0255% 2894 1.8 80 36563 1547983 1401607 2-2 5: 94 99 66 139 144 0.749 20.98 192.2 67 95 82 98 152 5.8 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0008 1278.1 8.9 scans 58% 137 m/z (94) 1.1% 0.0558% 2899 1.0 158 44264 3377570 3111849 2-3 12: 137 152 109 123 81 67 91 93 119 153 110 124 0.921 21.00 192.8 65 89 74 87 155 0.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1042 ? Phytol 21.2789 1286.5 9.2 scans 22% 70 m/z (135) 10% 0.00667% 2946 0.6 47 4819 403608 369705 0-3 9: 70 56 57 68 96 111 98 127 72 0.628 35.35 -10.9 76 87 68 83 196 0.0 0.000 -14.068 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4365 1291.2 7.7 scans 15% 281 m/z (92) 2.9% 0.00986% 2973 1.4 67 16557 596520 516443 2-5 12: 281 147 369 370 282 283 134 148 207 265 249 371 0.583 21.56 -147.5 68 96 71 97 369 14.1 4.349 -0.122 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1030 ? Contamination 21.50min 21.4365 1291.2 7.7 scans 10% 281 m/z 2.8% 0.00625% 2973 1.4 55 17057 378066 327314 2-5 12: 281 147 369 370 282 283 134 148 207 265 249 371 0.618 21.50 198.4 75 97 60 96 369 14.0 6.402 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0079 1308.4 7.9 scans 80% 175 m/z 0.073% 0.205% 3070 1.0 326 660886 12423344 11696547 3-3 19: 175 57 190 176 91 147 65 115 117 191 105 66 77 128 80 131 64 119 159 0.962 22.01 208.0 80 100 96 100 190 87.8 7.252 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1004 ?? Blank_Nonanal 22.8420 1333.4 >9 scans 45% 57 m/z (107) 2.7% 0.0187% 3211 1.0 98 17639 1136525 1089326 1-0 20: 57 82 56 96 81 95 55 68 67 44 41 85 72 142 126 54 84 70 137 111 0.956 16.82 42.0 61 68 73 74 124 11.4 1.362 6.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9023 1335.2 8.5 scans 45% 109 m/z (57) 0.74% 0.0461% 3221 1.1 140 65440 2793502 2543564 4-3 3: 109 86 110 0.888 22.91 221.6 67 95 83 94 127 18.7 1.796 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.8686 1364.2 >22 scans 85% 60 m/z (146) 0.097% 0.963% 3385 0.1 466 500005 58292267 54608742 0-12 20: 60 73 129 115 57 55 41 43 87 61 98 69 39 45 42 83 70 74 158 96 0.974 22.70 -111.1 73 93 92 99 158 33.6 0.520 1.173 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.8686 1364.2 >22 scans 85% 60 m/z 0.10% 0.885% 3385 0.1 465 463032 53517273 50135483 0-12 20: 60 73 129 115 57 55 41 43 87 61 98 69 39 45 42 83 70 74 158 96 0.975 25.35 215.0 76 95 93 99 162 0.0 0.000 -1.485 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0894 1371.6 7.2 scans 79% 73 m/z 0.11% 0.223% 3422 0.9 359 419001 13518770 12899017 1-3 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 432 148 75 251 45 311 0.935 24.17 -152.2 80 100 92 99 429 106.4 8.778 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1006 ? Tridecane 24.5475 1386.9 7.6 scans 80% 71 m/z (168) 0.47% 0.0780% 3500 1.1 199 103009 4716772 4286483 2-3 20: 71 57 85 43 41 70 84 55 127 99 155 69 56 169 42 112 113 126 86 72 0.982 23.86 22.9 79 82 93 84 184 2.8 0.000 0.685 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5475 1386.9 7.6 scans 75% 71 m/z 0.48% 0.0664% 3500 1.1 194 101298 4016219 3649838 2-3 20: 71 57 85 43 41 70 84 55 127 99 155 69 56 169 42 112 113 126 86 72 0.935 24.54 249.6 78 99 94 99 169 21.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7081 1392.3 9.8 scans 50% 43 m/z 1.1% 0.0289% 3527 1.4 115 43837 0.0348% 1751177 1596239 2104408 2-0 19: 43 83 82 58 55 142 41 56 113 69 85 127 111 39 67 93 70 68 109 0.795 24.70 252.7 72 97 82 96 170 4.8 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1032 ?? Dodecane 25.1969 1408.6 11.3 scans 41% 71 m/z (155 43) 1.8% 0.0238% 3610 1.1 86 25781 1440169 1310803 5-1 12: 71 57 85 70 99 98 41 127 113 112 156 72 0.799 20.36 8.4 63 76 66 78 170 3.6 0.000 4.839 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2689 1411.0 7.9 scans 35% 43 m/z 0.92% 0.0125% 3622 0.7 82 52865 0.0147% 759434 704971 888931 0-2 13: 43 145 103 115 61 178 86 148 79 44 147 141 74 0.887 25.24 -148.9 72 94 86 98 145 30.8 13.922 0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1004 Nicotine 25.6213 1422.8 >24 scans 91% 133 m/z 0.0069% 11.6% 3682 0.3 1511 7049297 705709206 674376209 0-2 20: 133 161 162 119 42 92 130 82 65 117 51 91 105 163 159 63 120 104 132 52 0.999 25.89 265.8 80 98 98 99 162 429.4 8.082 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN GLAU_R~1-N1080 ?? Solanone 25.8114 1429.1 7.3 scans 20% 93 m/z (85) 2.5% 0.00896% 3714 0.9 70 19238 542085 505737 1-1 6: 93 121 136 123 122 137 0.735 25.78 273.8 65 94 65 92 194 11.7 2.799 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0930 1471.9 6.5 scans 62% 221 m/z 0.81% 0.0317% 3931 1.0 143 59782 1921555 1852455 2-1 20: 221 73 147 281 222 267 355 223 148 282 443 74 249 283 445 323 357 268 191 149 0.928 27.12 297.0 78 98 90 97 355 26.6 3.456 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1810 1474.9 7.5 scans 91% 57 m/z 0.045% 0.678% 3946 0.9 604 1080396 41005494 37000911 2-6 20: 57 71 43 85 41 55 56 70 99 69 84 198 98 113 112 83 39 126 72 141 0.993 27.21 -0.9 100 99 98 99 198 73.1 1.464 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN N407_R~1-N1114 ?? Caryophyllene 27.8534 1500.0 11.0 scans 60% 93 m/z (121) 1.2% 0.0840% 4060 1.2 173 37913 5083753 4657488 2-2 17: 93 91 79 81 136 77 67 134 150 53 92 94 65 176 162 68 105 0.739 27.84 314.6 63 90 74 90 204 10.2 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1032 ? Myosmine 28.0145 1506.1 >7 scans 73% TIC 0.31% 0.0583% 4087 0.0 207 156834 0.140% 3525955 3362205 8466009 1-0 0.976 27.93 319.4 78 98 96 98 146 90.2 19.026 0.084 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3882 1520.1 8.5 scans 61% 80 m/z 0.32% 0.0515% 4150 1.1 162 148981 3117134 2920182 2-3 18: 80 171 104 53 78 170 77 51 81 91 65 103 115 169 79 128 52 63 0.903 28.39 326.7 77 97 87 96 171 73.7 20.641 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6574 1530.3 7.7 scans 72% 43 m/z (85) 0.21% 0.148% 4196 1.1 273 223645 0.156% 8993442 8247353 9433553 4-3 20: 43 69 41 151 136 107 67 93 125 109 53 81 121 83 39 68 108 79 77 91 0.969 28.67 332.9 76 98 98 99 194 17.5 0.409 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0907 1546.5 7.8 scans 49% 71 m/z 0.18% 0.188% 4270 1.2 328 263513 0.234% 11395726 10920118 14150329 1-0 20: 71 57 43 85 41 55 70 141 56 113 205 99 112 84 69 135 39 178 95 97 0.590 29.09 342.8 70 99 72 93 220 72.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5157 1562.5 9.3 scans 81% TIC 0.090% 0.438% 4341 1.6 433 535856 26525123 23447414 3-2 0.943 29.61 -150.6 80 99 93 99 503 71.4 2.719 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1022 Nicotyrine 29.6822 1568.8 9.4 scans 72% 158 m/z 0.020% 1.21% 4370 0.6 734 2403308 73297142 69279595 2-3 20: 158 157 130 116 89 117 156 90 63 105 78 104 143 51 142 42 103 39 62 80 0.898 29.68 356.2 80 100 90 99 158 413.9 31.808 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7583 1571.6 7.7 scans 48% 123 m/z (85) 0.16% 0.0839% 4383 1.1 207 291341 5077827 4740751 1-4 11: 123 135 124 107 95 109 81 93 165 161 193 0.893 29.77 357.6 75 99 93 99 193 17.0 0.674 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9372 1578.4 8.4 scans 77% 71 m/z (161) 0.16% 0.271% 4413 0.8 335 297463 16433521 14674035 1-7 20: 71 85 57 43 99 113 41 69 127 84 70 55 155 56 83 169 86 126 111 112 0.979 29.94 362.0 76 97 97 100 254 9.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1010 ? Pentadecane 30.1616 1586.8 7.1 scans 42% 57 m/z (151) 0.78% 0.0515% 4451 1.2 172 61905 0.0906% 3116373 3116373 5478717 0-0 20: 57 43 71 85 41 99 55 113 127 70 56 155 140 84 69 98 83 141 97 112 0.874 30.38 -8.1 79 81 92 83 212 0.0 0.000 -0.215 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5128 1600.6 8.0 scans 89% 191 m/z 0.018% 0.838% 4510 0.9 657 2611057 50694449 47681086 2-2 20: 191 206 192 57 163 74 175 41 91 115 107 73 77 88 207 147 128 161 105 133 0.986 30.50 375.8 80 100 99 100 206 175.1 7.092 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8286 1613.9 9.1 scans 27% 124 m/z (161) 1.1% 0.0263% 4564 0.8 107 41702 1595942 1464993 3-3 5: 124 137 180 138 181 0.818 30.81 384.5 68 92 83 93 180 30.9 8.335 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8818 1616.1 8.6 scans 62% 161 m/z (70) 0.39% 0.133% 4573 1.0 245 123064 8053870 7334510 2-8 17: 161 119 134 204 162 105 147 91 189 133 77 117 145 92 115 205 131 0.948 30.88 0.1 79 81 73 82 204 63.2 6.659 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9473 1618.9 8.6 scans 13% 171 m/z 1.3% 0.0112% 4584 1.2 74 35962 682991 632294 2-4 6: 171 172 173 156 170 136 0.899 30.93 0.9 88 92 75 91 171 50.6 46.858 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2123 1630.0 9.0 scans 70% 111 m/z (57) 0.16% 0.249% 4629 0.8 332 304500 15086868 14251005 2-2 18: 111 137 109 67 180 110 124 152 95 112 77 79 81 39 53 165 138 93 0.984 31.18 395.0 76 97 96 99 180 71.8 4.685 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5234 1643.1 9.1 scans 62% 43 m/z (157) 0.39% 0.0892% 4682 0.9 196 121966 5395168 4906991 2-1 18: 43 98 111 166 55 151 82 71 127 41 83 68 107 123 67 39 59 167 0.981 31.52 0.4 97 99 99 99 166 39.3 4.004 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9225 1659.8 7.9 scans 53% 83 m/z (123) 0.57% 0.0643% 4749 0.9 178 84632 3889756 3523395 3-2 7: 83 82 55 67 210 155 211 0.889 31.92 0.1 76 81 87 84 219 3.1 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0577 1665.5 6.8 scans 33% 221 m/z 0.29% 0.0873% 4772 1.1 230 167591 5282254 4950188 2-2 20: 221 73 147 207 222 295 341 355 223 149 281 325 148 220 296 133 267 74 356 208 0.870 32.08 -0.9 96 97 92 98 355 38.6 2.810 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4373 1681.5 8.2 scans 68% 57 m/z (144) 0.27% 0.152% 4836 1.2 267 175701 9246710 8245543 1-3 20: 57 71 85 43 56 41 197 55 196 113 99 69 70 127 83 168 42 141 198 97 0.959 32.44 -0.2 94 97 96 98 226 9.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6982 1692.4 8.6 scans 83% TIC 0.22% 0.607% 4881 0.8 553 215987 36729283 33721951 3-2 0.932 32.67 0.9 95 95 87 97 220 33.8 0.374 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8653 1699.5 7.5 scans 24% 70 m/z (149) 0.36% 0.0634% 4909 1.2 176 131828 3835490 3465103 6-4 3: 70 195 224 0.616 32.87 -0.0 68 80 56 81 186 6.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9349 1702.4 8.0 scans 47% 71 m/z 0.076% 0.149% 4921 0.6 272 639787 9010991 8573614 3-1 12: 71 43 159 111 243 72 155 173 143 89 73 244 0.872 32.93 0.1 93 95 87 94 243 46.2 2.889 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1212 ? Hexadecene 33.0860 1708.7 8.6 scans 37% 83 m/z (179) 1.5% 0.0553% 4946 1.3 143 30856 3348264 3024673 1-2 15: 83 57 97 55 70 56 69 84 125 112 82 98 68 42 54 0.927 33.09 0.0 75 82 88 91 224 8.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3116 1718.2 7.6 scans 80% 57 m/z (181) 0.12% 0.297% 4984 0.7 382 400138 0.328% 18016261 16839109 19834649 0-2 19: 57 71 43 85 41 55 99 56 70 69 113 84 42 226 98 112 140 83 58 0.976 33.37 -2.6 95 98 98 99 226 40.6 1.131 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2720 1733.7 8.0 scans 41% 57 m/z (119) 0.67% 0.0566% 5147 0.9 169 72408 3426272 3240163 1-1 18: 57 71 85 43 41 99 55 98 211 210 70 113 212 182 127 42 183 141 0.898 34.27 0.1 84 88 89 95 211 26.2 2.402 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3700 1735.1 9.8 scans 95% 355 m/z 0.011% 4.52% 5164 0.6 1402 4343967 273881055 260656636 2-2 20: 355 73 221 147 401 222 402 327 207 283 148 223 385 403 416 325 328 339 399 268 0.994 34.39 452.1 81 100 99 100 415 174.3 1.547 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9119 1742.8 21.0 scans 82% 91 m/z 0.016% 2.98% 5256 0.2 878 2962953 180738740 174053479 1-1 20: 91 155 199 90 65 184 92 120 89 44 137 63 106 77 39 156 51 64 185 109 0.973 34.79 453.8 80 99 97 99 199 250.2 8.110 0.126 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7006 1754.1 8.9 scans 34% 123 m/z (96) 0.77% 0.0475% 5389 1.3 142 63175 2875304 2645040 3-2 15: 123 193 195 209 210 165 124 163 181 224 103 152 166 175 196 0.888 35.70 451.4 71 94 86 95 224 13.3 0.877 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1995 1775.5 8.4 scans 10% 209 m/z 1.5% 0.00974% 5643 1.2 73 32030 588980 542333 4-1 10: 209 224 181 210 167 165 179 211 178 166 0.581 37.20 449.2 71 94 55 92 224 28.9 15.921 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3057 1777.1 10.2 scans 52% 85 m/z (216) 0.77% 0.0850% 5661 1.3 180 62911 5145890 4776158 1-2 20: 85 57 71 43 99 84 41 113 69 127 111 210 141 155 86 169 72 126 44 39 0.932 38.91 -22.9 80 86 91 85 254 3.7 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0590 1787.8 8.0 scans 64% TIC 0.26% 0.104% 5789 0.9 259 184240 6299814 5923368 2-1 0.906 38.06 448.1 77 99 91 98 225 49.4 3.642 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5625 1795.0 9.2 scans 91% 73 m/z 0.031% 1.31% 5874 1.3 767 1555228 79325431 74044073 2-3 20: 73 429 147 221 355 430 281 341 207 356 222 401 357 74 148 267 295 282 325 223 0.989 38.59 446.9 81 100 99 100 429 218.8 8.147 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.7668 1906.2 7.5 scans 93% TIC 0.072% 0.995% 6078 0.9 756 669291 60208164 57943156 2-1 0.997 39.94 537.1 80 99 99 99 278 38.3 0.257 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8867 1921.1 7.7 scans 59% 58 m/z 0.61% 0.0750% 6098 1.0 211 79366 4540842 4173780 1-4 10: 58 43 71 59 109 95 110 124 123 113 0.897 39.88 552.8 75 96 89 94 250 22.6 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3052 1973.0 7.9 scans 57% 149 m/z 0.11% 0.0908% 6169 1.1 219 423979 5495184 5289034 1-2 14: 149 150 223 104 76 121 167 205 93 65 132 50 224 122 0.881 40.31 598.1 79 99 87 99 223 46.6 4.527 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6116 2011.0 7.2 scans 51% 221 m/z (153) 0.96% 0.0335% 6221 1.1 137 50301 2025922 1933305 2-2 20: 221 73 147 295 281 207 222 369 223 148 282 356 74 355 208 341 75 401 267 415 0.896 40.63 630.9 75 99 96 99 369 22.3 2.632 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 40.6128 2011.1 7.2 scans 35% TIC 1.0% 0.0128% 6221 1.3 114 47931 777884 690693 1-4 0.671 36.58 694.6 72 97 66 94 369 21.7 3.624 4.034 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1254 Phytol 40.8654 2042.4 >16 scans 28% 80 m/z (92) 6.3% 0.0186% 6264 2.5 76 7645 1128931 1031861 1-0 15: 80 126 57 97 278 85 169 179 127 56 86 152 168 73 100 0.752 40.87 -0.3 81 93 71 90 278 7.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2385 2088.7 8.0 scans 74% 79 m/z (235) 0.48% 0.134% 6327 1.1 256 100566 8136251 7457763 2-1 20: 79 67 93 95 80 55 41 91 81 121 108 77 94 135 87 59 105 78 65 66 0.965 41.26 -2.3 95 98 97 99 264 15.9 0.387 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4440 2114.2 8.2 scans 83% 205 m/z 0.26% 0.329% 6362 0.9 413 186820 19937677 18601422 2-2 20: 205 57 217 189 220 177 55 232 41 91 261 191 203 192 77 161 115 176 109 135 0.951 41.49 -82.4 85 100 95 100 276 27.1 0.429 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0048 2148.3 8.0 scans 92% TIC 0.030% 1.01% 6457 0.9 730 1592049 61655171 57809462 2-4 0.975 42.01 746.3 80 100 98 99 272 16.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3507 2167.7 7.6 scans 70% 73 m/z 0.35% 0.0826% 6516 1.0 211 138039 4998910 4671324 2-3 20: 73 147 281 221 355 429 503 341 207 282 283 430 222 148 74 415 356 504 342 431 0.921 42.37 758.7 75 96 93 99 503 34.8 2.714 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2805 2219.9 11.8 scans 24% 263 m/z (111) 2.2% 0.0131% 6673 1.7 63 21949 794079 736236 2-3 16: 263 278 133 129 217 152 219 264 143 119 161 179 131 142 235 107 0.555 43.31 -1.5 77 85 43 82 278 19.9 9.909 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8472 2251.7 7.8 scans 49% 71 m/z (205) 1.8% 0.0262% 6769 1.2 114 26817 1586862 1461012 2-3 18: 71 85 43 127 113 99 69 84 268 267 70 239 86 56 141 72 155 54 0.923 43.94 -5.0 62 64 82 83 282 5.9 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7994 2363.9 7.6 scans 64% 73 m/z (110) 1.0% 0.0282% 7100 1.0 121 45413 1707149 1612915 2-1 20: 73 355 147 221 281 207 429 282 149 222 356 148 283 74 223 358 415 403 267 369 0.876 45.78 1.3 93 96 85 95 503 10.8 0.802 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1026 Methyl stearate 45.9145 2370.6 8.2 scans 88% TIC 0.078% 0.479% 7119 1.5 469 623442 28969100 26104822 2-3 0.973 45.92 891.9 80 100 98 100 298 73.7 2.471 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.0999 2381.2 8.3 scans 76% 79 m/z (74) 0.42% 0.154% 7151 1.3 268 115956 9314398 8692871 1-5 19: 79 67 95 93 80 108 81 91 41 107 94 77 121 135 109 78 122 59 149 0.954 46.13 -2.0 93 97 93 98 292 20.2 0.568 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7593 2419.2 8.0 scans 74% 74 m/z 0.43% 0.0701% 7262 1.1 192 113227 4241775 3861624 3-4 20: 74 87 43 75 143 55 298 255 41 69 57 199 83 88 97 59 101 129 267 256 0.892 46.76 924.1 78 99 89 98 298 35.0 3.343 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6908 2472.8 >9 scans 18% TIC 10% 0.000904% 7420 0.6 32 4685 54695 54695 0-0 0.513 44.32 1025.5 67 97 53 93 369 9.0 0.000 3.371 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9417 2544.8 7.7 scans 63% 73 m/z 1.7% 0.0162% 7632 1.1 91 27701 981453 947727 1-5 19: 73 221 147 429 281 356 430 355 207 327 401 148 267 74 357 341 415 325 431 0.812 48.95 994.4 72 96 81 98 429 25.7 7.901 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3579 2626.3 8.0 scans 74% 74 m/z 0.78% 0.0428% 7872 1.1 147 62218 2589343 2372847 2-6 20: 74 87 43 143 326 75 55 57 69 41 283 83 97 227 88 71 101 59 111 129 0.847 50.36 1039.3 77 99 85 97 326 28.6 3.792 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8562 2712.5 8.2 scans 46% 73 m/z 3.0% 0.00810% 8126 1.2 62 16032 489907 425688 6-5 18: 73 147 221 429 281 341 355 357 356 504 431 503 369 222 265 401 295 267 0.649 51.86 1081.6 72 94 62 92 503 11.0 3.141 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6278 2872.0 8.8 scans 31% 73 m/z 6.7% 0.00314% 8595 1.4 39 7196 189907 174834 1-2 14: 73 221 147 355 222 357 281 282 356 341 295 283 429 74 0.572 45.81 1395.5 66 94 57 90 503 6.5 2.809 8.816 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1256 771.7 4.9 scans 91% 77 m/z 0.044% 0.206% 40 2.9 349 1275704 11161890 10284418 0-6 16: 77 45 78 79 62 76 59 75 63 47 61 46 92 58 64 80 0.997 4.37 17.7 100 100 99 100 77 297.5 72.862 -0.245 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5153 833.9 19.1 scans 72% 207 m/z 0.61% 0.0511% 445 2.8 105 91909 2767761 2491370 2-2 17: 207 208 191 96 133 193 177 103 161 87 73 149 82 135 91 117 194 0.880 6.53 -142.9 80 100 87 99 207 79.8 57.317 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6275 862.8 8.5 scans 95% 55 m/z 0.10% 0.903% 634 1.5 576 550259 48904251 44353133 1-5 20: 55 69 41 83 39 42 57 98 70 97 43 56 53 80 54 79 40 68 81 51 0.994 7.71 7.5 100 99 99 100 98 125.9 4.778 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKSTART-N1004 ?? Contamination 12.42min 11.4558 962.5 6.9 scans 10% 57 m/z 5.8% 0.00305% 1282 1.2 44 9704 165198 143256 2-2 9: 57 43 71 70 41 85 98 127 56 0.741 12.42 12.8 66 76 61 75 281 0.0 0.000 -0.963 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1042 ?? Nonane 11.8442 972.6 7.8 scans 33% 57 m/z (126 113) 5.4% 0.00558% 1348 0.6 47 10379 302090 293347 1-0 8: 57 85 43 84 99 71 41 56 0.782 9.06 72.6 67 90 79 89 128 5.0 1.147 2.787 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.4062 987.2 >12 scans 34% 283 m/z (81) 2.6% 0.0199% 1443 1.1 77 21584 1078988 962461 1-4 19: 283 56 82 109 281 138 53 191 83 177 193 60 52 282 40 76 207 42 125 0.542 12.22 40.9 82 90 40 95 281 38.7 25.219 0.186 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6536 993.7 9.6 scans 83% 81 m/z (114) 0.23% 0.157% 1485 1.8 220 241276 8550401 7442683 10-2 20: 81 110 53 39 79 67 41 68 65 77 82 51 95 66 50 40 52 54 109 91 0.993 13.22 30.1 94 96 98 100 110 63.0 8.211 -0.568 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1040 Decane 12.7923 997.3 7.3 scans 57% 57 m/z 0.92% 0.0311% 1508 1.1 128 60936 1688512 1531774 2-1 18: 57 43 71 85 41 56 84 70 142 55 42 98 113 112 58 99 72 86 0.919 12.90 -2.7 98 98 89 97 142 19.8 2.380 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1022 ? Octanal 12.9115 1000.4 8.0 scans 60% 41 m/z (45) 3.6% 0.0299% 1529 1.3 107 15544 1621555 1415094 1-3 18: 41 84 57 56 43 44 55 69 82 42 68 67 39 85 58 110 100 101 0.945 12.96 -174.4 75 99 96 99 110 12.3 1.307 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0798 1032.1 10.4 scans 48% 108 m/z (55) 2.8% 0.0196% 1726 1.9 78 19985 1062604 973951 1-2 13: 108 79 107 77 90 91 80 65 50 76 63 62 75 0.888 14.11 53.1 86 97 92 97 108 35.2 20.667 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4340 1041.7 9.9 scans 87% TIC 0.059% 0.400% 1787 1.3 369 947330 21696111 19046454 6-4 0.982 14.44 56.9 91 100 99 100 120 119.0 10.384 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1672 1061.5 >10 scans 83% 105 m/z 0.11% 0.263% 1911 0.8 305 473003 14261175 12789976 2-1 19: 105 77 123 46 51 50 124 78 128 79 74 76 104 52 95 53 94 38 64 0.977 15.17 64.1 89 100 98 100 123 110.1 13.079 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN 98-86-2 ? Acetophenone 15.2787 1064.6 9.6 scans 88% TIC 0.021% 1.31% 1930 0.8 722 2600386 70923293 65111720 1-4 0.994 15.29 -181.1 79 98 98 99 120 254.2 12.416 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4222 1068.4 8.8 scans 45% 95 m/z 0.51% 0.0686% 1954 1.4 164 108587 3713778 2966025 2-10 20: 95 81 124 79 43 53 109 41 39 82 65 55 96 67 57 66 125 110 80 40 0.897 15.43 66.7 83 95 87 96 124 50.1 9.390 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5178 1071.0 8.4 scans 28% 56 m/z (80) 5.2% 0.0138% 1970 1.4 75 10730 748635 691173 1-1 16: 56 70 69 55 84 83 68 42 41 59 53 97 111 82 54 93 0.875 18.83 18.3 66 70 65 74 122 2.9 0.000 -3.312 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1028 ?? p-Cymenene 16.2014 1089.6 8.6 scans 16% 132 m/z (58) 5.7% 0.00588% 2086 1.6 49 9820 318433 280719 1-3 7: 132 117 115 131 116 133 92 0.836 16.25 -185.0 63 91 65 91 132 26.1 28.812 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1002 Undecane 16.5857 1100.0 8.8 scans 76% TIC 0.57% 0.0957% 2151 1.3 195 97572 5183095 4200521 1-8 0.923 16.59 -0.0 82 84 90 84 156 3.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7723 1107.8 8.6 scans 75% 57 m/z (269) 0.32% 0.230% 2183 1.3 292 172032 12454163 10886140 6-6 20: 57 41 56 43 55 44 98 70 69 82 68 95 81 96 67 42 39 45 83 54 0.919 16.82 85.4 77 95 90 96 124 19.0 0.423 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9606 1115.8 8.6 scans 43% 95 m/z (81) 2.2% 0.0198% 2214 1.1 90 25183 1073622 975168 1-2 17: 95 58 43 69 85 41 84 110 113 72 70 57 128 45 99 111 86 0.932 16.97 91.1 77 97 92 99 128 21.7 5.862 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0456 1119.4 11.6 scans 16% 91 m/z (126) 4.2% 0.00744% 2229 1.9 44 13170 403002 352007 5-2 4: 91 122 134 119 0.670 17.05 93.4 70 97 83 95 122 15.7 12.975 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0604 1162.2 8.5 scans 59% 73 m/z 0.44% 0.0959% 2401 1.8 187 126958 5194620 4716354 6-3 20: 73 355 267 356 268 357 269 251 193 339 74 249 191 358 253 223 75 154 207 179 0.909 18.13 -169.5 79 99 88 99 355 80.8 18.655 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN M4942-N1002 ? Pyranone 18.1342 1165.4 10.6 scans 44% 144 m/z 0.61% 0.0854% 2414 1.4 166 92381 4623709 4066463 4-4 6: 144 43 44 101 58 116 0.900 20.04 -225.1 72 93 81 92 144 77.6 22.004 -1.908 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2027 1168.3 10.7 scans 1.1% 281 m/z (41) 10% 0.00150% 2425 2.3 22 5416 81630 70865 1-0 3: 281 355 193 0.299 12.25 15.2 75 94 38 91 281 19.4 78.900 5.952 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN M4942-N1004 ?? Hyacinthin 19.2587 1212.9 10.5 scans 0.23% 91 m/z (71) 9.1% 0.00149% 2604 0.6 22 6142 81025 81025 0-0 3: 91 49 120 0.189 14.47 -8.2 62 90 60 87 120 7.4 11.391 4.785 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 19.4105 1219.3 >20 scans 85% 60 m/z 0.13% 1.22% 2630 0.1 498 422840 66317554 59405765 1-10 20: 60 69 85 55 41 73 43 97 101 87 57 88 115 45 39 82 42 98 108 56 0.969 19.87 151.0 77 95 90 99 144 0.0 0.000 -0.461 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.6814 1230.7 12.5 scans 66% 105 m/z 0.35% 0.121% 2676 0.2 199 158790 6587269 6001105 1-3 18: 105 122 77 51 50 106 82 123 76 74 78 39 75 52 45 65 38 49 0.945 20.03 160.0 75 95 90 96 122 98.5 24.471 -0.348 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7576 1233.9 10.3 scans 14% 119 m/z (128) 3.1% 0.00763% 2689 0.8 54 18014 413314 389628 1-0 4: 119 92 107 89 0.905 13.76 34.4 72 81 69 80 134 20.5 14.583 6.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8420 1237.5 12.4 scans 44% 57 m/z (60) 0.30% 0.172% 2703 1.5 219 183708 9359093 8411670 5-3 19: 57 45 41 75 56 89 72 100 59 85 44 71 58 88 33 90 62 102 46 0.886 19.81 170.0 66 92 90 94 144 3.3 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 19.8780 1239.0 14.0 scans 46% 60 m/z 0.38% 0.147% 2709 0.2 207 147063 8000730 7455932 1-4 18: 60 73 85 84 101 69 115 74 61 39 82 83 53 86 40 79 70 67 0.712 22.03 -70.1 61 75 57 79 175 0.0 0.000 -2.156 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3184 1257.6 8.3 scans 92% 57 m/z 0.059% 0.693% 2783 1.0 546 950350 37553062 35250930 2-3 20: 57 71 43 85 41 56 55 70 170 84 42 98 99 69 112 39 113 58 127 72 0.990 20.32 -0.1 100 100 98 99 170 72.8 1.778 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1034 ? Decanal 20.5256 1263.9 8.1 scans 82% 57 m/z (85) 0.70% 0.151% 2819 1.0 246 80327 8196215 7271125 4-1 20: 57 41 55 43 82 70 71 68 83 44 56 67 81 112 69 96 42 84 39 54 0.990 20.57 -143.1 70 88 93 98 138 12.9 0.275 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5256 1263.9 8.3 scans 77% TIC 0.68% 0.128% 2819 0.9 238 82823 6962925 6251403 2-2 0.950 20.56 185.2 79 99 96 99 128 21.6 0.825 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.7682 1271.2 8.0 scans 74% 57 m/z (87) 0.31% 0.108% 2860 0.9 209 178513 5879367 5234896 3-2 18: 57 71 43 41 98 56 70 112 55 113 99 69 58 42 84 141 72 184 0.983 33.32 4.2 72 72 85 82 226 0.0 0.000 -12.551 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9961 1278.0 8.5 scans 49% 152 m/z (94) 0.92% 0.0795% 2898 1.2 177 61248 4307714 3864729 4-3 7: 152 137 109 123 153 119 110 0.948 21.00 192.7 63 86 77 86 155 2.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1030 ? Contamination 21.50min 21.4323 1291.1 7.0 scans 6.8% 281 m/z 5.5% 0.00400% 2972 0.9 47 10092 216802 191847 1-7 12: 281 147 73 282 113 369 191 283 148 370 207 249 0.593 21.50 198.3 71 96 67 94 369 12.8 7.515 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4323 1291.1 7.0 scans 14% 281 m/z (139) 5.6% 0.0102% 2972 0.9 69 9961 553490 489780 1-7 12: 281 147 73 282 113 369 191 283 148 370 207 249 0.579 21.56 -147.6 63 91 46 97 369 12.4 3.258 -0.126 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0109 1308.4 8.0 scans 87% 175 m/z 0.025% 0.817% 3070 0.9 602 2228706 44250873 40939193 4-3 20: 175 57 190 176 91 147 41 65 115 117 80 105 77 191 66 128 131 79 119 64 0.972 22.01 208.0 80 99 98 100 190 160.9 7.129 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 22.8421 1333.4 >8 scans 49% 82 m/z (158) 1.9% 0.0409% 3211 0.9 133 28296 2217935 2065540 2-0 20: 82 57 56 96 67 95 81 44 68 124 83 85 55 43 69 72 126 71 111 54 0.941 16.82 42.0 68 76 83 81 124 13.4 1.014 6.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.5015 1353.2 >8 scans 82% TIC 0.10% 0.354% 3323 0.3 472 517188 1.09% 19210159 19210159 58996033 0-0 0.995 22.70 -122.1 76 93 93 98 158 33.0 0.490 0.805 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.5015 1353.2 >19 scans 82% 60 m/z (85) 0.10% 1.11% 3323 0.1 471 518797 1.24% 60296798 55817684 67114753 2-1 20: 60 73 57 41 115 55 129 43 87 69 39 98 45 61 56 101 42 74 70 83 0.999 25.35 204.0 74 93 93 98 162 0.0 0.000 -1.853 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8291 1363.0 10.2 scans 57% 57 m/z (99) 0.62% 0.0985% 3379 0.9 171 90836 5331508 4711187 2-3 15: 57 85 71 69 41 55 84 56 70 83 111 184 42 141 153 0.831 23.86 -1.0 87 94 87 92 184 20.4 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0817 1371.3 7.2 scans 70% 73 m/z 0.13% 0.249% 3421 1.0 353 428660 13513141 12673413 2-2 20: 73 341 429 342 325 147 343 430 431 74 326 207 344 327 251 75 45 126 295 193 0.928 24.17 -152.5 80 99 92 99 429 106.9 9.139 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5422 1386.7 7.8 scans 79% 71 m/z 0.20% 0.210% 3499 1.0 317 280548 11420279 10530928 2-3 20: 71 57 85 43 41 84 70 55 113 127 99 56 69 155 42 126 112 72 86 39 0.935 24.54 249.4 78 99 94 99 169 33.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6927 1391.7 8.3 scans 60% 43 m/z (169) 0.74% 0.0737% 3525 1.3 166 75823 3992610 3514737 2-3 19: 43 83 41 55 142 58 56 113 85 111 39 70 67 127 68 128 93 108 42 0.876 24.70 252.1 71 92 91 98 170 6.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5056 1418.9 15.0 scans 89% 84 m/z 0.017% 2.95% 3662 1.1 818 3261975 159996943 149995197 2-2 20: 84 133 162 161 42 119 92 85 118 82 130 65 51 134 78 117 39 55 63 91 0.966 25.89 261.9 76 95 92 95 162 213.8 6.821 -0.386 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7949 1428.6 7.6 scans 78% 93 m/z 0.11% 0.294% 3711 1.0 382 480742 15933866 14714384 2-2 20: 93 121 43 136 91 79 77 194 81 94 41 95 123 107 108 67 137 39 92 122 0.947 25.78 273.3 75 95 89 95 194 57.6 2.278 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0257 1436.3 8.4 scans 2.9% 145 m/z (168) 5.0% 0.00450% 3750 1.1 43 11176 243688 230625 2-4 3: 145 160 146 0.858 27.08 -186.5 63 89 65 88 160 19.2 20.212 -1.051 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0913 1471.9 6.6 scans 49% 221 m/z 0.94% 0.0347% 3931 0.9 139 59402 1883142 1770613 2-1 19: 221 73 147 281 222 267 355 148 223 282 269 443 74 357 205 265 283 207 133 0.906 27.12 297.0 78 98 88 97 355 25.9 3.488 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1875 1475.1 8.1 scans 91% 57 m/z (58) 0.033% 1.36% 3947 0.8 750 1689052 74074383 66788557 2-3 20: 57 71 43 85 41 55 56 70 99 84 69 198 42 98 113 112 83 127 126 39 0.998 27.21 -0.7 98 99 99 99 198 93.3 1.549 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8386 1499.5 8.0 scans 58% 71 m/z (182) 0.66% 0.135% 4057 1.3 230 84614 7353929 6619161 2-3 15: 71 57 43 70 85 41 169 79 133 99 168 56 113 67 94 0.686 27.84 314.2 64 95 84 97 212 8.6 0.139 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1032 ? Myosmine 28.0458 1507.3 9.2 scans 41% 118 m/z 0.61% 0.0593% 4092 1.6 152 91406 3214245 3050864 1-2 12: 118 146 145 105 78 65 117 51 106 104 175 63 0.760 27.93 320.6 70 93 80 92 146 68.7 20.293 0.115 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3811 1519.9 8.6 scans 43% 80 m/z (71) 0.71% 0.0392% 4149 1.0 125 78768 2123288 1975897 2-3 10: 80 171 104 53 170 78 51 103 169 172 0.886 28.39 326.5 72 96 87 97 171 53.2 17.959 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6609 1530.4 8.0 scans 75% 43 m/z (99) 0.11% 0.378% 4197 0.9 393 484527 0.392% 20497920 17935050 21216922 4-5 20: 43 69 41 151 136 107 67 93 125 109 53 121 81 39 68 83 108 79 77 91 0.986 28.67 333.0 77 99 98 99 194 25.1 0.407 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0919 1546.6 7.7 scans 53% 71 m/z 0.11% 0.359% 4270 1.1 432 469868 0.477% 19456801 18915765 25817530 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 67 112 84 97 69 183 39 53 42 0.639 29.10 342.7 70 98 88 96 227 9.1 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0919 1546.6 7.7 scans 60% 71 m/z (143) 0.12% 0.462% 4270 1.1 457 467153 0.613% 25022674 24326867 33178503 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 67 112 84 97 69 183 39 53 42 0.782 29.09 342.9 70 94 77 96 220 67.9 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5152 1562.5 7.4 scans 69% 73 m/z 0.13% 0.284% 4341 1.1 374 406064 15382447 14643130 2-2 20: 73 281 147 327 282 415 341 503 283 399 221 328 148 504 74 416 329 325 505 417 0.959 29.61 -150.6 79 98 93 98 503 62.6 2.807 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6645 1568.1 8.9 scans 60% 177 m/z (43) 0.069% 0.674% 4366 0.9 510 807716 36506965 34216846 2-3 19: 177 158 157 130 159 91 77 116 117 105 89 156 63 90 149 131 78 104 192 0.790 29.68 355.6 74 98 72 96 192 46.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1022 ? Nicotyrine 29.6645 1568.1 8.9 scans 45% 177 m/z 0.069% 0.473% 4366 0.9 440 812032 25627014 24019406 2-3 19: 177 158 157 130 159 91 77 116 117 105 89 156 63 90 149 131 78 104 192 0.632 29.68 355.5 77 99 91 99 158 237.3 29.091 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7637 1571.8 >9 scans 59% TIC 0.11% 0.0977% 4383 0.7 274 471595 0.213% 5289210 4941997 11528583 1-0 0.942 29.77 357.8 76 96 90 97 193 22.5 0.677 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9443 1578.6 8.4 scans 82% TIC 0.078% 0.649% 4414 1.0 510 721050 35148894 31955489 1-2 0.945 29.94 362.2 78 99 95 98 254 13.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1669 1587.0 8.2 scans 52% TIC 0.40% 0.0870% 4452 1.2 253 137626 0.162% 4709165 4304109 8768218 1-0 0.856 30.38 -7.9 80 83 90 84 212 0.0 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5110 1600.5 8.6 scans 89% 191 m/z 0.015% 1.40% 4510 0.8 773 3680051 75783095 71305618 2-4 20: 191 206 192 57 163 74 91 115 107 207 73 77 88 128 147 161 133 105 117 121 0.992 30.50 375.7 80 100 99 100 206 206.8 7.161 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8221 1613.6 8.3 scans 23% 124 m/z (71) 1.3% 0.0291% 4563 0.9 109 41858 1578306 1437908 4-3 4: 124 137 180 138 0.942 30.81 384.2 65 86 77 91 180 29.4 7.341 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8824 1616.1 8.6 scans 59% 161 m/z (179) 0.23% 0.226% 4573 0.9 303 235911 12243136 11490194 2-1 19: 161 162 119 134 204 105 91 81 77 189 133 115 131 79 145 93 117 92 205 0.779 30.88 0.1 83 87 55 87 204 74.2 6.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2047 1629.7 8.9 scans 54% 111 m/z 0.14% 0.265% 4628 0.8 340 396262 14353816 13425137 1-2 19: 111 109 137 67 180 110 124 152 95 112 79 39 81 53 165 93 138 51 65 0.845 31.18 394.7 76 97 80 97 180 81.2 5.692 0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.2690 1632.4 >8 scans 30% 71 m/z (69) 0.62% 0.0573% 4639 0.9 183 90910 0.427% 3105144 3105144 23111290 0-0 18: 71 57 85 43 99 113 127 84 147 209 202 251 41 55 56 197 225 86 0.923 31.63 -15.3 65 69 82 83 429 13.0 0.504 -0.365 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5199 1642.9 10.0 scans 56% 43 m/z (165) 0.44% 0.122% 4681 1.1 205 128021 6630436 6179363 1-2 18: 43 98 111 166 85 71 55 151 127 82 68 84 41 123 83 67 167 99 0.956 31.52 0.2 92 96 94 96 166 39.0 3.602 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7991 1654.7 9.2 scans 18% 193 m/z (85) 3.1% 0.0276% 4728 0.9 103 18000 1497010 1340721 2-1 6: 193 175 198 194 208 167 0.772 31.80 0.2 64 65 35 94 208 11.9 1.348 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9249 1659.9 7.9 scans 57% 83 m/z (219) 0.42% 0.124% 4749 0.9 231 133228 6715233 6217813 3-1 11: 83 82 55 67 210 113 70 211 155 183 68 0.969 31.92 0.2 76 77 88 86 219 4.7 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0618 1665.7 6.8 scans 14% 221 m/z 0.91% 0.0291% 4773 1.0 123 61658 0.0314% 1576804 1450666 1699519 3-3 18: 221 73 147 295 207 222 355 341 223 281 296 325 343 267 356 208 74 297 0.786 32.08 -0.7 94 97 75 96 355 23.3 3.622 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4408 1681.6 8.2 scans 67% 57 m/z (175) 0.22% 0.223% 4837 1.0 306 245167 12081770 11205406 1-2 20: 57 71 85 56 43 41 197 55 196 99 113 69 70 127 141 83 42 111 97 168 0.931 32.44 -0.1 87 92 91 92 226 11.1 0.133 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6899 1692.1 9.0 scans 85% 91 m/z 0.22% 0.857% 4879 0.9 599 256185 46412789 43442368 3-2 20: 91 119 105 43 93 79 107 162 41 131 69 121 106 133 146 67 145 95 81 117 0.960 32.67 0.6 95 94 91 97 220 36.6 0.373 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8605 1699.3 7.7 scans 27% 70 m/z (149) 0.31% 0.127% 4909 1.1 234 177195 6925351 6281057 7-5 2: 70 224 0.607 32.87 -0.2 67 78 64 83 186 0.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9326 1702.3 8.1 scans 31% 71 m/z (123) 0.15% 0.111% 4920 0.6 202 367045 6017261 5305240 3-2 11: 71 243 159 155 72 173 143 89 73 244 156 0.865 32.93 -0.0 92 98 88 97 243 35.2 3.051 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1212 ? Hexadecene 33.0849 1708.7 8.9 scans 27% 83 m/z (183) 2.2% 0.0432% 4946 1.5 138 25377 0.0867% 2338358 2338358 4692620 0-0 20: 83 97 70 69 56 43 57 84 41 98 125 71 85 42 68 82 54 196 168 39 0.841 33.09 -0.0 76 84 87 88 224 5.8 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3104 1718.2 8.0 scans 73% 57 m/z (167) 0.18% 0.261% 4984 0.8 333 309493 0.312% 14177059 13690534 16886938 0-1 20: 57 71 43 85 41 55 99 56 70 226 42 69 113 98 84 112 72 83 58 86 0.979 33.37 -2.6 90 92 96 98 226 35.5 1.137 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 6.8 scans 24% 71 m/z (170) 1.8% 0.0247% 5083 1.0 115 30764 1338962 1323737 1-0 19: 71 57 43 85 70 197 196 99 98 55 220 167 83 210 42 113 127 169 198 0.846 33.90 -0.1 85 92 91 96 197 21.1 3.329 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2732 1733.7 >8 scans 43% TIC 0.49% 0.0376% 5147 0.8 186 113925 2040454 1929396 1-0 0.778 34.27 0.1 89 95 81 94 211 31.4 2.851 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3594 1734.9 8.6 scans 92% 355 m/z 0.026% 2.16% 5162 0.9 948 2129501 117103087 110919260 2-3 20: 355 73 147 221 356 401 357 282 402 327 415 74 283 148 75 328 191 339 131 45 0.985 34.39 451.9 81 100 98 100 415 111.7 1.388 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.9173 1742.9 16.2 scans 11% 199 m/z (91) 0.35% 0.515% 5256 0.5 330 156791 27911211 25398027 1-3 20: 199 89 68 69 83 97 41 55 111 82 43 70 67 107 56 185 106 84 42 63 0.611 34.90 0.2 63 71 68 92 224 33.0 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9332 1743.1 >22 scans 81% 91 m/z 0.018% 3.98% 5259 0.2 891 3083182 215420565 207275207 1-1 20: 91 155 199 90 65 184 92 89 120 63 106 77 39 51 134 64 200 78 157 109 0.965 34.79 454.1 80 100 98 99 199 252.9 8.053 0.147 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3565 1749.2 8.6 scans 73% TIC 0.21% 0.374% 5331 0.9 416 263608 0.458% 20264789 17550392 24789159 6-2 0.929 35.35 451.8 77 99 95 98 196 35.8 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7030 1754.1 8.8 scans 25% 123 m/z (71) 1.2% 0.0487% 5390 1.1 135 46340 2639751 2401242 3-1 15: 123 193 195 209 210 165 167 176 224 166 175 89 194 124 131 0.876 35.70 451.4 67 91 80 91 224 16.2 1.431 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2013 1775.6 8.3 scans 12% 209 m/z 1.1% 0.0185% 5644 0.9 93 48457 1005138 940302 6-2 14: 209 224 181 165 167 210 178 103 166 179 218 176 152 192 0.676 37.20 449.3 72 95 62 93 224 35.5 14.680 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3069 1777.1 10.0 scans 56% 85 m/z (129) 0.59% 0.146% 5661 1.2 220 95278 7937302 6931439 1-3 18: 85 71 57 43 99 55 113 127 70 56 169 141 155 86 112 111 114 126 0.953 38.91 -22.9 82 86 94 86 254 3.4 0.000 -1.603 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0578 1787.8 8.4 scans 62% TIC 0.27% 0.128% 5788 1.0 265 204386 6931530 6599853 1-1 0.890 38.06 448.1 76 98 89 97 225 50.7 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5844 1795.3 8.7 scans 81% 73 m/z 0.10% 0.414% 5877 1.1 412 520698 22433001 21307678 2-2 20: 73 147 429 221 355 430 281 431 207 356 401 222 74 148 342 267 295 325 432 459 0.965 38.59 447.2 80 99 95 99 429 118.4 8.277 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8040 1798.5 9.3 scans 46% 71 m/z (145) 0.59% 0.0960% 5915 1.3 189 94411 5201068 4801090 1-3 19: 71 57 85 127 239 43 126 55 211 41 99 69 113 84 70 141 155 238 181 0.788 36.21 -52.4 69 93 86 91 240 18.6 0.000 2.593 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.7651 1906.0 7.7 scans 90% 68 m/z 0.10% 0.967% 6078 0.8 683 558770 52385606 47956696 1-2 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 109 96 124 111 79 56 0.994 39.94 536.9 80 99 99 99 278 34.5 0.256 -0.171 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8843 1920.8 7.8 scans 61% 58 m/z 0.60% 0.103% 6098 1.0 231 93024 5579069 5164749 1-6 11: 58 43 71 59 109 95 110 124 123 250 82 0.934 39.88 552.5 76 96 93 95 250 25.3 1.203 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3064 1973.1 8.0 scans 58% 149 m/z 0.11% 0.126% 6169 0.9 238 509555 6820993 6404738 2-2 14: 149 150 104 223 76 167 65 93 121 105 50 132 151 224 0.897 40.31 598.2 79 99 89 99 223 50.4 4.481 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6116 2011.0 7.0 scans 23% 147 m/z (220) 3.4% 0.0113% 6221 1.3 74 16236 611904 556907 1-3 14: 147 297 281 148 74 370 282 355 223 296 283 401 356 371 0.796 40.63 630.9 72 98 86 97 369 12.8 2.984 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1254 Phytol 40.8306 2038.1 8.8 scans 37% 126 m/z (145) 3.6% 0.0333% 6259 1.8 108 15311 1807532 1422012 1-4 15: 126 150 94 179 122 166 111 137 138 183 193 149 152 185 168 0.844 40.87 -4.6 88 95 82 95 278 13.2 1.514 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BQLD_R~1-N1056 ? Homosalate 40.9894 2057.8 8.3 scans 25% 138 m/z 1.7% 0.0231% 6285 1.1 108 33097 1250522 1194414 1-1 13: 138 92 109 120 69 121 124 139 65 262 93 122 39 0.606 41.00 672.0 74 100 73 98 262 15.7 2.101 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2332 2088.0 7.8 scans 17% 79 m/z 2.8% 0.0123% 6327 1.0 82 19996 669634 633139 1-2 10: 79 93 108 80 91 121 68 77 94 209 0.387 41.26 -3.0 81 87 51 83 264 6.9 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4457 2114.4 8.2 scans 82% 205 m/z 0.26% 0.413% 6362 0.7 431 214424 22380004 20852552 3-2 20: 205 57 217 175 189 220 177 55 232 91 41 261 191 203 192 77 219 206 115 135 0.942 41.49 -82.2 85 100 94 100 276 28.5 0.435 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8330 2138.6 7.8 scans 52% 57 m/z (168) 1.8% 0.0591% 6428 0.8 155 31167 3198851 2738413 6-8 20: 57 71 84 43 97 70 55 69 41 98 83 125 112 67 111 99 81 109 126 56 0.944 41.48 19.6 60 65 78 71 268 4.1 0.000 0.350 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9989 2148.0 7.7 scans 88% 74 m/z 0.050% 0.769% 6456 0.9 603 1123999 41668364 39099840 2-3 20: 74 87 43 143 55 75 41 227 270 69 57 129 83 59 239 101 97 185 88 171 0.961 42.01 746.0 80 99 96 99 272 14.5 0.058 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3584 2168.1 7.5 scans 44% 73 m/z 1.0% 0.0328% 6517 0.9 125 54960 1775469 1649558 2-3 20: 73 147 281 221 355 341 207 503 148 74 504 429 222 430 415 295 431 356 325 461 0.826 42.37 759.1 74 98 83 97 503 21.8 3.012 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1252 Contamination 43.31min 43.2852 2220.2 9.8 scans 32% 263 m/z (240) 6.5% 0.0204% 6674 1.1 83 8634 1109422 987615 3-4 19: 263 135 278 77 105 80 131 95 133 227 147 264 145 143 171 152 79 163 117 0.782 43.31 -1.2 90 97 75 95 278 13.3 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1020 ? Icosane 43.8448 2251.6 8.5 scans 53% 71 m/z (205) 1.5% 0.0406% 6769 1.3 128 36864 2201411 2058441 2-3 19: 71 85 43 127 99 267 55 69 113 70 126 141 56 84 239 169 97 72 155 0.947 43.94 -5.1 70 70 87 87 282 6.4 0.000 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3029 2277.8 7.0 scans 12% 221 m/z 7.8% 0.00241% 6846 1.3 36 7192 0.00258% 130659 129789 139642 1-1 12: 221 295 147 207 222 296 355 297 282 223 369 281 0.523 44.32 830.5 66 96 46 92 369 9.1 6.295 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9676 2316.1 8.6 scans 24% 131 m/z (159) 17% 0.00761% 6959 0.8 55 3282 411954 376246 2-4 12: 131 119 106 143 157 145 171 270 134 129 142 146 0.623 44.99 855.7 60 92 58 91 270 8.0 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 45.2209 2330.6 9.2 scans 35% 43 m/z (82) 5.5% 0.0214% 7002 1.2 80 10154 1163473 983759 3-5 20: 43 107 99 79 133 81 92 151 137 94 95 93 145 77 108 149 91 97 135 161 0.681 44.90 18.4 68 79 65 75 272 0.0 0.000 0.320 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8065 2364.3 7.7 scans 36% 73 m/z 1.9% 0.0161% 7101 1.0 87 28994 875278 797702 2-1 19: 73 355 147 221 281 356 429 207 222 148 401 431 265 327 341 74 503 325 415 0.745 45.78 1.7 92 94 68 92 503 9.3 1.137 0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9116 2370.4 7.7 scans 75% 74 m/z 0.22% 0.174% 7119 1.1 284 253215 9449187 8878983 1-4 20: 74 87 43 75 143 255 55 41 298 69 57 199 83 97 129 101 88 59 71 256 0.918 45.92 891.7 79 99 91 98 298 46.6 2.687 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.0964 2381.0 8.0 scans 65% 79 m/z (98) 1.2% 0.0676% 7150 1.1 166 46594 3660531 3218141 2-8 18: 79 67 93 95 108 80 81 94 91 107 121 77 122 135 78 109 150 105 0.946 46.13 -2.2 92 96 92 97 292 13.3 0.638 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN HCMIX_~1-N1022 ? Henicosane 46.1831 2386.0 7.7 scans 31% 57 m/z (98) 3.1% 0.0125% 7165 0.8 68 18017 0.0133% 677718 657526 719860 0-2 13: 57 71 85 43 99 56 113 296 86 126 58 72 155 0.831 46.28 -5.7 74 82 61 78 296 6.3 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7581 2419.1 8.2 scans 66% 74 m/z (180) 1.1% 0.0385% 7262 1.1 128 51216 2084216 1974266 2-3 17: 74 87 75 143 298 43 55 255 41 199 88 59 83 129 97 267 299 0.936 46.76 924.0 77 99 93 98 298 22.9 3.195 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9429 2544.9 7.7 scans 50% TIC 2.6% 0.00998% 7632 1.3 73 21247 540593 502345 2-4 0.703 48.95 994.5 73 99 70 97 429 22.1 9.194 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3574 2626.2 7.8 scans 48% 74 m/z 2.7% 0.0125% 7872 1.0 75 20808 677857 590637 3-5 16: 74 87 43 143 326 199 69 41 83 97 227 71 88 283 327 101 0.731 50.36 1039.2 68 91 68 88 326 16.7 4.921 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8609 2712.7 8.7 scans 46% TIC 4.1% 0.00730% 8127 1.1 59 13458 395401 335719 2-8 0.687 51.86 1081.8 71 94 66 91 503 10.0 2.945 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6313 2872.2 9.8 scans 32% TIC 7.5% 0.00284% 8596 1.4 38 7443 153841 141554 1-2 0.548 45.81 1395.7 66 93 53 89 503 6.5 0.000 8.819 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1073 771.2 5.2 scans 83% 77 m/z (53) 0.062% 0.123% 37 3.7 259 710629 0.131% 7277752 6664580 7720620 1-5 14: 77 45 78 79 62 76 59 63 75 47 46 92 64 48 0.997 4.37 17.2 99 100 100 100 77 220.4 72.596 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2396 826.7 12.4 scans 63% 57 m/z (44) 0.76% 0.0307% 398 0.2 94 58050 1811832 1653208 1-7 12: 57 41 39 59 45 87 56 102 82 53 40 100 0.840 6.03 -134.9 72 98 89 97 102 11.0 1.352 0.207 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5867 835.7 19.5 scans 74% 207 m/z 0.56% 0.0388% 457 3.0 96 77943 2289210 2044082 2-2 20: 207 208 191 177 96 193 192 135 115 147 176 161 75 81 163 210 165 73 179 105 0.883 6.53 -141.1 80 100 88 99 207 73.0 57.475 0.059 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6830 864.3 8.4 scans 93% 41 m/z 0.32% 0.201% 643 1.9 284 138555 11887583 10591243 1-5 20: 41 69 55 83 39 42 57 98 70 97 56 43 53 80 54 40 51 79 68 38 0.996 7.71 9.0 100 99 98 99 98 59.4 4.371 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1042 ?? Nonane 7.9616 871.5 >10 scans 19% TIC 8.6% 0.00116% 690 2.4 33 5132 68476 68476 0-0 0.685 9.06 -28.5 68 83 52 79 128 3.8 1.326 -1.095 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2344 982.8 12.4 scans 55% TIC 0.46% 0.0502% 1414 2.2 135 95562 0.0589% 2963776 2758865 3471332 2-0 0.762 12.22 36.5 91 95 61 99 281 80.8 35.673 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6771 994.3 9.6 scans 77% 81 m/z (94) 0.43% 0.0612% 1489 1.9 144 102296 3607915 3265745 1-2 19: 81 110 53 79 39 41 67 68 65 77 82 95 51 74 66 50 40 54 52 0.967 13.22 30.7 93 96 96 99 110 41.0 8.128 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1040 Decane 12.8123 997.8 7.4 scans 67% 57 m/z (111) 0.96% 0.0261% 1512 1.2 114 45908 1543783 1420074 1-2 18: 57 43 71 85 41 70 56 142 55 84 99 42 98 112 113 69 58 72 0.984 12.90 -2.2 97 99 97 99 142 15.9 1.929 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 13.8903 1026.9 8.3 scans 44% 57 m/z (112) 2.1% 0.0126% 1695 1.3 75 21098 743089 690796 1-1 13: 57 83 70 41 43 55 54 56 93 98 42 58 97 0.636 18.83 -25.8 65 78 61 80 122 0.0 0.000 -4.940 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0934 1032.4 11.9 scans 50% 79 m/z (82) 3.0% 0.0143% 1729 2.3 64 14388 845103 817458 1-1 12: 79 108 107 77 78 51 50 91 90 65 74 123 0.872 14.11 53.4 86 99 90 98 108 29.9 21.578 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4493 1042.1 9.6 scans 91% 91 m/z 0.070% 0.248% 1789 1.6 299 628391 14671975 13147349 2-4 20: 91 92 120 65 63 39 89 51 62 50 121 90 93 64 38 66 74 61 52 41 0.989 14.44 57.3 91 100 99 100 120 96.8 10.465 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1819 1061.9 >11 scans 78% 105 m/z 0.10% 0.214% 1913 0.9 289 439934 12622619 11922561 2-0 20: 105 77 123 46 106 124 50 51 78 94 79 74 52 75 107 67 49 38 125 53 0.981 15.17 64.5 89 100 97 100 123 104.7 13.139 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN 98-86-2 ? Acetophenone 15.2876 1064.8 9.3 scans 83% 105 m/z 0.023% 0.834% 1931 0.8 604 1856744 49179125 44821076 1-4 20: 105 77 120 51 106 50 78 43 74 121 76 63 75 39 91 52 65 62 38 49 0.996 15.29 -180.9 79 98 97 99 120 212.8 12.400 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4346 1068.8 8.9 scans 48% 95 m/z (101) 0.19% 0.158% 1956 1.4 242 230098 9351664 8291568 1-8 15: 95 81 124 79 109 53 82 65 66 67 125 80 96 123 63 0.928 15.43 67.1 83 97 95 98 124 72.7 8.995 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1002 Undecane 16.5952 1100.3 8.7 scans 73% 71 m/z (59) 0.58% 0.0790% 2153 0.9 175 75513 4656530 4070448 3-3 14: 71 57 85 41 84 70 55 56 113 127 69 99 98 155 0.973 16.59 0.3 83 86 93 85 156 3.5 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7799 1108.2 9.1 scans 71% 57 m/z (71) 0.50% 0.135% 2185 1.2 225 87473 7997539 7098544 5-4 20: 57 41 56 55 70 44 98 69 82 68 95 96 81 67 39 42 54 45 83 114 0.965 16.82 85.8 77 96 95 97 124 13.9 0.381 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9641 1115.9 8.4 scans 46% 71 m/z 1.3% 0.0158% 2215 1.3 94 33392 935019 900432 1-2 18: 71 95 58 110 128 43 85 57 68 55 84 69 111 72 70 59 56 113 0.781 16.97 91.2 77 95 78 97 128 25.0 7.163 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0663 1162.5 9.1 scans 73% 73 m/z 0.43% 0.0664% 2402 1.6 164 101375 3918619 3620763 2-3 19: 73 355 267 356 357 268 269 251 74 193 154 358 339 340 235 323 180 163 309 0.891 18.13 -169.2 79 99 87 99 355 71.9 19.312 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN M4942-N1002 ?? Pyranone 18.1684 1166.8 10.3 scans 40% 144 m/z (154) 2.9% 0.0133% 2420 1.6 66 15265 788310 705958 3-3 5: 144 101 44 72 58 0.841 20.04 -223.7 69 94 78 93 144 31.4 22.667 -1.874 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3036 1172.5 9.4 scans 7.8% 281 m/z (57) 9.7% 0.00118% 2442 1.4 21 4550 69759 62809 5-1 4: 281 282 111 283 0.472 12.25 19.4 74 91 46 89 281 17.6 68.718 6.053 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1253 1207.2 9.7 scans 2.3% 81 m/z (129) 3.3% 0.00864% 2582 1.2 56 13156 509737 453784 1-1 4: 81 54 95 72 0.694 19.12 150.1 67 93 81 93 97 15.3 7.433 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7558 1233.9 11.0 scans 0.60% 119 m/z (82) 3.8% 0.00615% 2688 1.3 44 11575 362746 321859 4-2 3: 119 91 134 0.827 13.76 34.4 71 81 68 80 134 18.7 18.283 5.999 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8143 1236.3 8.7 scans 13% 57 m/z (82) 0.22% 0.133% 2698 1.2 229 196693 7892507 7078998 6-1 17: 57 45 75 72 89 100 56 59 132 87 44 131 58 71 62 77 46 0.932 19.81 168.8 73 97 94 97 144 5.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1266 Octanoic acid 20.1714 1251.4 >19 scans 94% 60 m/z 0.061% 1.86% 2759 0.1 663 720820 109953166 101805870 1-3 20: 60 69 85 73 55 97 41 101 115 87 57 88 43 45 39 83 82 108 98 56 0.998 22.03 -57.7 83 89 91 99 175 0.0 0.000 -1.863 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 20.2836 1256.2 8.0 scans 22% 105 m/z 0.60% 0.0407% 2777 3.5 125 73420 2401279 2239052 2-0 16: 105 122 77 51 50 106 123 76 107 78 121 150 75 91 94 49 0.962 20.03 185.5 72 93 88 92 122 64.7 26.699 0.255 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3208 1257.7 8.6 scans 90% TIC 0.056% 0.563% 2784 1.2 491 786618 0.591% 33238597 31334033 34831195 2-0 0.976 20.32 0.0 100 99 97 99 170 67.4 1.883 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1034 ? Decanal 20.5321 1264.1 8.2 scans 71% 57 m/z (110) 1.1% 0.0619% 2820 1.1 166 39468 3648903 3345886 3-2 19: 57 41 55 43 70 82 71 44 83 112 56 67 81 69 96 84 42 99 39 0.978 20.57 -142.9 75 97 97 98 138 9.6 0.334 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5327 1264.1 8.3 scans 65% TIC 1.1% 0.0438% 2820 0.9 159 39668 2582151 2453337 2-1 0.884 20.56 185.4 76 100 92 99 128 14.2 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1006 ?? Arosol 20.9630 1277.0 15.7 scans 19% 94 m/z (137) 1.2% 0.0145% 2893 2.2 62 35983 858572 826487 1-1 3: 94 143 76 0.722 20.98 192.0 67 96 72 94 152 4.9 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0038 1278.2 8.9 scans 57% 137 m/z (94) 1.1% 0.0493% 2899 1.0 141 39699 2911017 2620741 2-6 12: 137 152 109 67 81 91 93 119 53 65 121 106 0.907 21.00 192.9 63 87 71 85 155 0.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1024 ? Hexadecane 21.0835 1280.6 7.6 scans 72% 71 m/z 0.54% 0.0605% 2913 1.1 172 80870 3566324 3111323 9-3 17: 71 43 57 85 70 41 141 55 99 56 140 42 113 112 86 72 125 0.922 33.32 13.6 76 79 85 80 226 0.0 0.000 -12.236 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1042 ?? Phytol 21.2080 1284.4 >22 scans 15% 121 m/z (135) 8.1% 0.00601% 2935 1.3 39 5424 354226 312955 7-0 4: 121 82 109 61 0.327 35.35 -13.0 63 83 29 78 196 0.0 0.000 -14.139 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0132 1308.5 8.4 scans 91% TIC 0.022% 0.706% 3071 0.9 561 1983636 41651327 37020853 3-4 0.980 22.01 208.1 80 100 99 100 190 151.0 7.241 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 22.8474 1333.5 >9 scans 39% 57 m/z (77 109) 3.3% 0.0153% 3212 0.9 83 13377 902201 863341 1-0 16: 57 82 95 81 56 68 55 67 124 137 70 80 111 90 85 99 0.858 16.82 42.1 66 81 72 81 124 9.7 1.363 6.032 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9005 1335.1 8.3 scans 36% 109 m/z (57) 0.75% 0.0392% 3221 0.9 126 58585 2313399 2032187 3-3 2: 109 110 0.855 22.91 221.5 63 92 78 89 127 8.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.6608 1358.0 >18 scans 54% TIC 0.23% 0.101% 3350 0.2 252 187440 0.256% 5967445 5500177 15087624 4-0 0.869 22.70 -117.3 74 96 81 96 158 19.7 0.614 0.965 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1006 Tridecane 23.8344 1363.2 9.8 scans 57% 57 m/z (99) 0.50% 0.0756% 3379 1.0 160 88105 4459504 4115919 1-2 17: 57 71 85 43 69 41 55 83 56 84 184 153 42 98 97 58 154 0.798 23.86 -0.8 87 95 83 93 184 19.8 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0912 1371.7 7.2 scans 74% 73 m/z 0.16% 0.156% 3423 0.9 290 271065 9221299 8360250 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 327 207 432 251 148 75 191 45 59 0.947 24.17 -152.1 80 99 93 99 429 87.0 9.020 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5493 1387.0 7.7 scans 88% 71 m/z (40) 0.17% 0.203% 3500 1.1 311 257988 12005050 10970826 2-3 20: 71 57 85 43 41 84 70 55 127 113 99 69 56 155 42 169 126 112 72 39 0.992 24.54 249.7 77 97 98 100 169 35.9 1.327 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7075 1392.2 16.2 scans 66% 43 m/z (74) 1.1% 0.0400% 3526 1.3 121 39554 0.0534% 2358481 2261512 3147184 1-0 20: 43 83 82 142 58 56 41 39 113 69 127 111 70 40 128 67 68 85 143 100 0.950 24.70 252.6 71 92 90 98 170 2.3 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.5830 1421.5 >25 scans 94% TIC 0.0058% 11.9% 3675 0.3 1486 7541739 701740018 672367546 0-2 0.995 25.89 264.5 79 98 98 99 162 415.8 7.831 -0.309 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1036 ? Contamination 18.09min 26.5251 1453.0 7.3 scans 22% 355 m/z 3.1% 0.00596% 3835 1.0 55 14104 351364 332231 5-4 14: 355 267 356 193 268 269 281 357 74 249 207 297 282 489 0.665 18.09 411.4 70 98 79 96 355 26.3 22.904 8.433 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0912 1471.9 6.6 scans 38% 221 m/z 1.4% 0.0159% 3930 1.0 98 30525 938465 893507 2-1 19: 221 73 147 281 267 355 223 282 443 148 356 207 323 268 283 357 74 149 191 0.887 27.12 297.0 76 97 84 96 355 18.8 3.697 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1963 1475.4 8.4 scans 94% 57 m/z (183) 0.022% 1.51% 3948 0.6 812 1935971 89077137 83527397 2-5 20: 57 71 43 85 41 55 56 70 99 69 84 198 98 42 113 112 83 126 39 97 0.992 27.21 -0.4 99 100 99 100 198 102.7 1.598 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8380 1499.4 7.5 scans 69% 71 m/z (121) 0.42% 0.104% 4057 1.3 221 103281 6145110 5822571 1-3 18: 71 57 43 85 70 41 55 169 99 56 69 113 168 42 140 84 127 72 0.963 27.84 314.1 63 85 87 91 212 10.8 0.237 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9773 1504.7 15.7 scans 75% 118 m/z (121) 0.29% 0.111% 4081 1.5 204 152641 0.159% 6572067 6062086 9370829 2-0 20: 118 146 145 78 105 51 58 147 119 63 104 117 50 165 41 91 42 65 77 90 0.977 27.93 318.0 78 99 98 99 146 88.4 18.719 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3853 1520.0 8.5 scans 64% 80 m/z (71) 0.36% 0.0527% 4150 1.1 151 120890 3109909 2897889 3-2 17: 80 171 104 53 78 170 77 91 81 103 51 65 50 172 128 63 52 0.931 28.39 326.6 75 99 95 99 171 67.3 19.851 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6568 1530.2 8.1 scans 67% 43 m/z (85) 0.18% 0.172% 4196 1.0 276 234609 10182943 9095619 5-1 20: 43 69 41 151 136 107 125 93 67 109 53 83 121 81 68 39 79 108 91 77 0.947 28.67 332.8 76 99 96 99 194 18.5 0.451 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0901 1546.5 7.7 scans 60% 71 m/z (167) 0.13% 0.280% 4269 1.2 361 319274 0.435% 16511465 15809040 25637174 1-0 20: 71 57 43 85 41 70 55 113 141 112 56 149 99 69 84 97 183 91 136 42 0.885 29.10 342.6 65 92 89 92 227 8.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0901 1546.5 7.7 scans 62% 71 m/z (165) 0.14% 0.289% 4269 1.2 368 313967 0.450% 17090416 16363361 26521214 1-0 20: 71 57 43 85 41 70 55 113 141 112 56 149 99 69 84 97 183 91 136 42 0.744 29.09 342.8 71 98 79 96 220 65.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5140 1562.5 7.3 scans 75% 73 m/z 0.13% 0.215% 4341 1.0 338 323142 12701987 11898540 2-3 20: 73 281 147 327 282 415 341 503 283 399 328 221 416 148 504 329 74 417 325 505 0.959 29.61 -150.6 79 99 94 99 503 57.4 2.889 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1022 ? Nicotyrine 29.6663 1568.2 9.5 scans 79% 158 m/z (118) 0.024% 1.31% 4367 0.7 713 1835914 77387425 71519320 2-2 20: 158 157 177 130 159 116 117 89 77 43 79 63 105 156 90 131 178 78 104 135 0.894 29.68 355.6 71 90 87 99 158 354.2 24.660 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6663 1568.2 9.5 scans 83% 158 m/z 0.024% 1.28% 4367 0.7 729 1809715 75588649 69856941 2-2 20: 158 157 177 130 159 116 117 89 77 43 79 63 105 156 90 131 178 78 104 135 0.936 29.68 355.7 74 94 86 94 192 46.1 0.400 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7566 1571.6 8.0 scans 35% 123 m/z (161) 0.16% 0.0675% 4382 1.1 176 274410 3982766 3630117 1-5 13: 123 135 124 107 95 93 165 193 175 122 108 152 136 0.948 29.77 357.6 70 91 75 94 193 18.1 1.054 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9449 1578.7 8.3 scans 81% 71 m/z 0.054% 0.682% 4414 0.7 551 817045 40242883 35672734 2-4 20: 71 85 57 43 99 113 41 69 55 127 70 84 155 56 83 169 126 86 111 112 0.947 29.94 362.3 76 96 95 98 254 15.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1010 Pentadecane 29.9449 1578.7 8.2 scans 84% TIC 0.052% 0.685% 4414 0.7 561 841473 40373678 36801246 1-4 0.949 30.38 -16.2 80 81 87 82 212 7.9 0.000 -0.432 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5163 1600.8 8.5 scans 91% 191 m/z 0.010% 1.38% 4511 0.7 804 4061165 81343381 77334880 2-3 20: 191 206 192 57 163 175 91 41 115 107 77 73 128 88 161 133 105 117 121 119 0.995 30.50 376.0 81 100 99 100 206 217.1 7.298 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8251 1613.7 8.9 scans 35% 124 m/z (71) 0.75% 0.0405% 4563 0.9 129 58755 2387769 2216442 2-3 6: 124 137 180 138 54 181 0.982 30.81 384.3 70 91 84 94 180 34.8 7.265 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8812 1616.1 8.7 scans 53% 161 m/z (207) 0.41% 0.104% 4573 1.0 209 105701 6162941 5595102 2-6 19: 161 162 119 134 204 147 91 77 133 93 79 115 120 131 117 145 163 92 118 0.832 30.88 0.1 81 84 64 84 204 55.6 7.089 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9473 1618.9 8.3 scans 14% 171 m/z (71) 1.4% 0.0136% 4584 1.1 75 29580 805891 711760 4-3 3: 171 172 156 0.768 30.93 0.9 91 94 82 97 171 45.0 35.609 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2082 1629.8 9.4 scans 60% 111 m/z (71) 0.16% 0.237% 4628 0.8 304 264865 13980366 12680389 2-2 20: 111 109 137 180 67 110 124 95 152 79 77 39 81 93 165 94 112 51 53 138 0.980 31.18 394.8 74 94 95 99 180 66.8 4.833 0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5170 1642.8 9.7 scans 57% TIC 0.37% 0.0639% 4680 1.3 192 118839 3769992 3534283 1-1 0.841 31.52 0.1 93 95 87 94 166 35.6 3.443 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8157 1655.4 8.0 scans 19% 193 m/z (197) 5.4% 0.0128% 4731 1.2 77 8195 755033 670478 1-2 14: 193 59 161 93 123 92 163 107 189 162 120 147 121 135 0.767 31.80 0.9 60 59 32 92 208 8.6 1.255 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9160 1659.6 7.9 scans 45% 71 m/z 0.61% 0.0547% 4748 0.6 172 71804 3225592 2972529 2-1 20: 71 57 82 85 43 55 41 69 99 70 113 84 155 67 56 127 210 112 126 97 0.716 31.92 -0.1 82 89 65 85 219 3.3 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4402 1681.6 9.2 scans 66% 57 m/z (211) 0.29% 0.145% 4837 0.9 239 152535 8600227 8072568 2-1 19: 57 71 85 56 43 197 41 55 113 99 70 196 141 168 42 127 97 83 86 0.874 32.44 -0.1 92 99 90 97 226 9.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6929 1692.2 8.8 scans 84% 205 m/z 0.24% 0.544% 4880 0.8 499 183951 32074933 30295432 2-2 20: 205 91 119 105 43 93 159 79 107 147 162 41 77 131 187 121 81 69 106 67 0.952 32.67 0.7 95 95 91 97 220 31.3 0.395 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8641 1699.4 8.2 scans 18% 70 m/z (149) 0.51% 0.0432% 4908 1.3 133 85732 2549156 2239647 7-3 5: 70 97 195 201 225 0.470 32.87 -0.1 72 86 51 83 186 5.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9308 1702.2 7.9 scans 38% 71 m/z (124) 0.18% 0.0749% 4920 0.7 178 242482 4417047 3976609 3-2 11: 71 159 243 155 72 173 143 89 73 215 244 0.940 32.93 -0.1 91 94 91 97 243 28.6 2.581 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1212 ? Hexadecene 33.0861 1708.7 8.5 scans 35% 83 m/z (123) 1.8% 0.0512% 4947 0.9 133 23605 3017943 2707061 1-4 18: 83 97 57 69 55 70 43 56 41 84 85 82 125 98 139 112 54 68 0.863 33.09 0.0 76 84 86 86 224 9.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3175 1718.5 7.6 scans 86% TIC 0.051% 0.602% 4985 0.6 551 864198 35524521 32760083 4-2 0.964 33.37 -2.3 99 100 96 99 226 63.2 1.318 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8895 1728.2 >9 scans 46% TIC 0.71% 0.0297% 5082 1.0 158 62245 0.110% 1754989 1644175 6482963 0-1 0.760 33.90 -0.1 89 98 89 98 197 28.3 3.195 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2708 1733.6 8.0 scans 23% 57 m/z 0.82% 0.0183% 5147 1.1 112 53716 1083468 1025630 1-1 17: 57 71 85 43 211 41 210 98 113 70 69 127 42 183 141 58 124 0.694 34.27 0.0 86 90 67 87 211 24.2 4.626 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3688 1735.0 9.3 scans 94% 73 m/z 0.010% 4.20% 5163 0.6 1336 4114083 248071129 235504798 2-2 20: 73 147 281 356 401 222 415 403 148 385 416 325 149 341 133 399 268 205 45 59 0.993 34.39 452.0 81 100 99 100 415 165.2 1.532 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9007 1742.7 21.1 scans 83% 91 m/z 0.017% 2.65% 5254 0.2 794 2525209 156266614 149205400 1-3 20: 91 199 90 184 92 89 120 44 137 63 77 39 156 200 64 51 154 157 109 78 0.987 34.79 453.7 80 99 97 99 199 229.0 8.318 0.115 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6959 1754.0 9.2 scans 25% 123 m/z (71) 0.80% 0.0403% 5389 1.1 125 54982 2377230 2165750 4-2 16: 123 195 209 124 167 103 166 175 165 211 181 194 190 224 131 212 0.907 35.70 451.3 69 93 78 93 224 12.1 0.932 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2001 1775.5 8.6 scans 6.8% 209 m/z 1.7% 0.00793% 5643 0.9 63 24787 467670 434617 3-3 11: 209 224 181 210 167 165 184 166 179 178 176 0.618 37.20 449.2 67 93 55 91 224 25.3 15.931 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0566 1787.8 8.2 scans 61% 57 m/z 0.28% 0.101% 5788 1.0 235 154423 5958192 5699438 2-1 19: 57 71 85 43 56 41 225 99 55 113 69 127 141 70 155 83 239 42 84 0.898 38.06 448.1 77 98 90 97 225 45.0 3.676 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5631 1795.0 9.2 scans 91% 73 m/z 0.032% 1.21% 5874 1.2 716 1361547 71575142 66543179 2-3 20: 73 147 221 355 430 281 341 207 431 356 401 74 148 282 295 342 267 325 223 432 0.985 38.59 446.9 80 100 98 100 429 210.2 8.610 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1016 Octadecane 38.8223 1798.7 10.8 scans 60% 57 m/z (127) 0.35% 0.115% 5918 0.8 204 124032 6799313 6459449 1-1 19: 57 71 85 43 41 55 99 70 69 84 112 83 197 140 86 98 72 58 183 0.980 38.91 -1.3 91 94 94 93 254 19.9 0.947 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3530 1854.9 8.1 scans 18% 71 m/z (209) 3.9% 0.00835% 6008 0.9 64 11224 492575 485864 1-0 19: 71 57 70 225 99 43 56 55 125 253 97 141 114 41 224 196 69 86 226 0.830 36.21 4.0 62 76 78 73 240 0.0 0.000 3.142 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4421 1866.0 7.4 scans 26% 87 m/z (123) 1.9% 0.0159% 6023 1.1 88 22437 939401 872806 3-2 13: 87 75 74 88 73 228 213 227 102 256 157 229 260 0.760 39.45 504.5 68 97 83 98 256 13.2 2.216 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1018 ? Neophytadiene 39.7674 1906.3 7.9 scans 90% 68 m/z 0.084% 0.881% 6078 0.7 667 524457 51933959 47638653 2-2 20: 68 95 82 123 69 57 43 55 81 83 71 97 109 111 79 85 70 137 94 53 0.994 39.94 537.2 79 99 99 99 278 35.3 0.280 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8843 1920.8 7.6 scans 65% 58 m/z (149) 0.55% 0.0993% 6098 1.0 219 79680 5853776 5457328 1-3 10: 58 43 59 109 95 110 124 81 123 250 0.965 39.88 552.5 75 98 98 99 250 22.3 1.039 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3052 1973.0 8.1 scans 50% 149 m/z 0.13% 0.0715% 6169 0.9 186 330006 4214343 3969577 2-2 16: 149 150 223 104 76 167 205 224 93 65 121 50 105 132 77 122 0.847 40.31 598.1 78 99 84 99 223 42.0 5.109 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6128 2011.1 6.7 scans 19% 221 m/z (91) 3.4% 0.00674% 6221 1.2 61 12754 397379 376726 1-2 10: 221 73 295 147 208 369 370 222 341 282 0.731 40.63 631.0 72 99 80 97 369 11.5 3.538 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1254 ?? Phytol 40.8530 2040.9 11.6 scans 37% 57 m/z (211) 1.8% 0.0331% 6262 1.9 106 23410 1951759 1827171 1-1 20: 57 71 85 43 69 123 113 109 68 141 67 99 41 169 55 124 96 127 86 94 0.731 40.87 -1.8 67 78 48 77 278 11.4 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BQLD_R~1-N1056 ?? Homosalate 40.9894 2057.8 8.4 scans 15% 138 m/z (100) 4.1% 0.0110% 6285 1.0 69 10623 653317 598042 3-2 9: 138 121 120 93 124 246 210 262 65 0.648 41.00 672.0 62 86 72 96 262 9.1 1.703 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2379 2088.6 8.3 scans 70% 79 m/z 0.27% 0.196% 6327 1.1 305 162885 0.201% 11579605 11033415 11846142 1-5 19: 79 67 93 95 80 91 121 55 108 41 81 77 94 107 135 59 87 78 122 0.843 41.26 -2.4 98 99 87 98 264 22.5 0.543 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4398 2113.6 8.1 scans 74% 205 m/z 0.30% 0.250% 6361 0.8 348 145537 14738624 13802758 2-2 20: 205 217 57 175 189 220 177 55 232 91 41 261 191 192 77 109 176 206 161 233 0.887 41.49 -83.0 84 100 91 99 276 23.6 0.460 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1018 ? Nonadecane 41.8312 2138.5 8.3 scans 48% 57 m/z (218) 1.3% 0.0425% 6428 0.9 137 32963 0.0500% 2510237 2510237 2946802 0-0 20: 57 71 85 43 84 111 69 70 99 56 55 125 126 83 96 113 81 253 140 169 0.899 41.48 19.5 71 80 86 80 268 2.6 0.000 0.348 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0172 2149.0 8.3 scans 93% 74 m/z 0.018% 1.78% 6459 0.6 915 2447204 104915959 98583253 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 83 129 239 59 97 185 101 171 199 0.992 42.01 747.0 80 99 99 99 272 21.3 0.054 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3531 2167.8 7.8 scans 61% 73 m/z 0.44% 0.0625% 6516 1.0 178 100160 3686192 3556319 1-3 20: 73 147 281 221 355 429 341 207 282 356 74 430 504 415 148 283 461 431 505 327 0.904 42.37 758.8 75 96 90 98 503 30.1 2.858 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.6 8.9 scans 53% 71 m/z (205) 1.3% 0.0360% 6769 1.4 121 31695 2124597 1931820 1-3 20: 71 57 85 43 127 99 41 267 69 113 70 197 84 126 72 239 98 56 128 141 0.935 43.94 -5.1 67 72 87 85 282 6.0 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7994 2363.9 7.9 scans 45% 73 m/z 1.5% 0.0164% 7100 1.1 90 28361 969331 919727 2-1 20: 73 355 147 221 281 356 341 207 222 148 282 429 327 503 401 357 74 342 283 415 0.779 45.78 1.3 93 95 74 93 503 9.7 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1026 Methyl stearate 45.9252 2371.2 8.4 scans 89% TIC 0.031% 1.17% 7121 1.2 706 1397085 69483456 64849400 2-3 0.980 45.92 892.5 80 100 99 99 298 117.0 2.750 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1058 2381.6 8.2 scans 86% 79 m/z (265) 0.17% 0.393% 7152 1.0 413 260128 23162310 21334355 2-4 20: 79 67 95 93 80 108 81 91 55 41 107 94 77 121 135 149 78 122 109 59 0.983 46.13 -1.6 94 94 96 99 292 31.0 0.563 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN HCMIX_~1-N1022 ?? Henicosane 46.6217 2411.3 8.5 scans 29% 71 m/z (81) 7.9% 0.00603% 7239 1.0 51 5587 355768 323354 1-1 19: 71 69 85 57 99 41 111 43 113 96 70 197 127 125 83 74 126 183 98 0.755 46.28 19.6 62 78 74 75 296 0.0 0.000 0.340 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7587 2419.1 7.7 scans 85% 74 m/z 0.15% 0.189% 7263 1.1 309 278838 11188910 10461614 2-3 20: 74 87 43 143 55 75 298 255 41 69 57 199 83 97 129 101 59 88 267 71 0.955 46.76 924.0 79 99 97 99 298 55.7 3.255 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5008 2461.9 7.4 scans 25% 138 m/z 2.5% 0.00599% 7388 1.2 56 17234 353228 328676 1-6 8: 138 120 121 139 306 140 168 92 0.502 47.50 949.1 70 94 46 91 168 9.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9406 2544.7 7.5 scans 58% 73 m/z (43) 2.1% 0.0127% 7632 1.1 79 20553 749377 697025 1-4 20: 73 147 355 429 221 430 281 222 357 207 295 431 282 432 325 415 279 341 401 223 0.814 48.95 994.3 71 97 82 98 429 22.6 8.280 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9406 2544.7 7.5 scans 52% 73 m/z 2.1% 0.0108% 7632 1.1 75 20587 637967 593398 1-4 20: 73 147 355 429 221 430 281 222 357 207 295 431 282 432 325 415 279 341 401 223 0.755 51.86 913.8 71 93 70 91 503 6.0 0.644 -2.917 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3532 2626.0 7.7 scans 87% 74 m/z 0.25% 0.133% 7872 1.1 255 170684 7880069 7346761 2-5 20: 74 87 43 75 55 143 326 57 69 41 283 83 97 129 227 71 88 101 59 199 0.944 50.36 1039.0 78 99 96 99 326 48.5 3.620 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6331 2872.3 10.1 scans 31% TIC 6.5% 0.00261% 8596 0.9 38 6791 153967 137342 3-0 0.603 45.81 1395.8 68 92 59 91 503 6.3 0.000 8.821 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1794 773.1 5.0 scans 94% 77 m/z 0.025% 0.365% 50 2.1 421 2032356 19235728 16500423 0-9 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 64 48 80 0.994 4.37 19.1 100 100 99 100 77 358.4 72.594 -0.192 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5979 836.0 >22 scans 76% 207 m/z 0.42% 0.0707% 459 3.1 117 121763 3725415 3441238 2-1 19: 207 208 209 191 177 119 103 193 210 89 115 178 147 117 59 176 82 134 105 0.906 6.53 -140.8 80 100 90 99 207 87.7 56.439 0.070 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6995 864.7 8.7 scans 95% 69 m/z 0.089% 0.987% 646 1.5 561 577754 52005546 46995649 1-5 20: 69 55 41 83 39 42 57 98 70 97 56 43 80 53 54 79 40 68 51 38 0.996 7.71 9.4 100 99 99 100 98 116.7 4.332 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7167 995.3 8.7 scans 45% 43 m/z (60) 0.41% 0.0950% 1496 1.3 178 124693 5002998 4461467 4-5 16: 43 281 99 71 41 134 55 39 108 58 249 42 93 191 67 56 0.743 12.22 49.0 85 94 47 99 281 88.8 24.804 0.497 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1040 Decane 13.2510 1009.6 7.2 scans 34% 57 m/z (58) 2.2% 0.0140% 1587 1.0 77 22640 739217 677730 1-1 12: 57 43 71 85 142 70 56 99 98 113 84 86 0.931 12.90 9.6 91 96 92 95 142 12.2 2.510 0.353 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1022 ? Octanal 13.3625 1012.6 8.0 scans 52% 84 m/z (59) 2.8% 0.0328% 1605 1.4 107 18119 1729215 1564607 1-3 15: 84 57 41 56 43 44 55 69 42 82 85 68 100 95 66 0.918 12.96 -162.2 70 97 92 96 110 7.7 0.000 0.408 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.6506 1020.4 11.3 scans 84% 81 m/z 0.11% 0.293% 1654 1.9 273 461207 15425637 13767446 2-2 20: 81 110 53 39 67 79 41 68 65 77 82 51 55 50 66 54 40 95 52 109 0.966 13.22 56.8 89 98 97 98 110 74.1 7.371 0.429 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1024 ?? p-Cymene 14.1176 1033.1 8.5 scans 27% 119 m/z (71) 3.5% 0.00588% 1733 1.2 43 14571 309700 269986 2-3 6: 119 94 115 93 117 92 0.805 13.76 -166.4 69 93 73 96 134 15.9 13.620 0.361 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1016 ? Limonene 14.2764 1037.4 8.2 scans 62% 68 m/z 0.53% 0.107% 1760 1.3 198 95952 5666175 5005776 2-8 20: 68 93 67 94 79 124 136 121 107 53 92 39 91 123 77 81 95 80 51 65 0.877 13.89 62.1 76 82 78 96 136 39.2 3.905 0.384 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4476 1042.0 10.3 scans 42% 108 m/z (82) 2.1% 0.0223% 1789 1.5 80 24105 1178200 1098529 1-1 13: 108 79 107 77 90 62 51 105 91 78 50 38 87 0.945 14.11 63.0 84 98 91 97 108 37.2 21.631 0.339 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.7923 1051.4 10.0 scans 89% TIC 0.032% 0.725% 1847 1.4 459 1600139 38205150 35242284 4-3 0.988 14.44 66.6 89 100 100 100 120 150.1 10.689 0.350 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.2994 1065.1 >11 scans 17% 40 m/z (55) 13% 0.00511% 1933 1.1 43 3737 269089 206146 1-2 4: 40 121 98 92 0.729 18.83 12.4 66 82 68 79 122 3.1 0.000 -3.531 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1002 ? Undecane 15.3874 1067.5 7.3 scans 45% 71 m/z (82) 1.4% 0.0228% 1948 1.1 95 35200 1204915 1088560 2-6 9: 71 43 113 112 127 84 126 170 72 0.820 16.59 -32.5 70 83 76 81 156 2.8 0.000 -1.200 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4812 1070.0 >10 scans 83% 105 m/z 0.12% 0.226% 1964 0.7 270 409378 11935350 10525375 2-1 19: 105 123 77 46 51 124 106 78 50 79 76 75 52 53 150 66 38 73 63 0.977 15.17 72.6 87 99 97 99 123 97.1 12.967 0.311 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN 98-86-2 ? Acetophenone 15.5763 1072.6 9.5 scans 84% 105 m/z 0.028% 0.928% 1980 1.0 574 1823961 0.968% 48893111 43992230 50960349 2-4 20: 105 77 120 51 50 106 78 43 74 121 76 75 63 39 91 52 65 62 38 89 0.994 15.29 -173.1 79 98 98 99 120 203.2 12.534 0.283 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 15.7120 1076.3 9.2 scans 36% 95 m/z 0.48% 0.0636% 2003 1.6 149 106834 3350082 3195706 1-3 15: 95 81 79 119 91 109 53 39 65 96 82 67 66 125 113 0.721 15.43 74.6 66 76 53 95 124 47.1 9.942 0.279 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1028 ?? p-Cymenene 16.4612 1096.6 8.0 scans 24% 132 m/z (81) 4.5% 0.00849% 2130 1.2 58 11280 447411 428430 0-1 11: 132 117 131 115 99 92 64 116 118 129 65 0.768 16.25 -178.0 68 93 75 95 132 26.7 20.938 0.207 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1016 ? Nonanal 16.9966 1117.3 8.5 scans 82% 57 m/z (112) 0.24% 0.316% 2221 1.1 323 211930 16639715 14922334 6-4 20: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 42 39 54 45 83 0.960 16.82 94.9 77 98 95 98 124 19.3 0.358 0.182 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1008 ?? Maltol 17.1619 1124.3 11.7 scans 14% 126 m/z (121) 1.6% 0.0151% 2249 2.3 62 31713 800148 732083 1-3 9: 126 127 267 123 38 87 125 98 99 0.187 16.96 99.7 66 99 26 94 156 6.8 0.000 0.204 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1796 1125.0 9.0 scans 56% 71 m/z 0.69% 0.0544% 2252 1.3 142 74916 0.0568% 2867010 2562377 2990235 1-6 19: 71 95 110 43 58 128 55 41 85 57 69 84 72 70 68 53 42 56 113 0.871 16.97 100.3 77 99 93 98 128 34.8 6.001 0.212 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2204 1169.0 >11 scans 59% TIC 0.46% 0.0715% 2428 0.7 157 111604 3764886 3373189 3-0 0.964 18.13 -162.7 79 99 93 99 355 63.7 16.455 0.089 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN M4942-N1002 ? Pyranone 18.3219 1173.3 10.8 scans 61% 144 m/z (193) 0.37% 0.185% 2445 1.2 216 137698 9739515 8429660 5-4 10: 144 43 44 101 72 45 145 115 58 46 0.980 20.04 -217.2 77 99 98 99 144 92.6 18.296 -1.720 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1018 ? Pyranone 18.3225 1173.3 9.5 scans 48% TIC 0.41% 0.0600% 2445 1.1 191 125928 3162625 2947367 1-1 0.883 18.22 129.8 78 98 86 98 144 88.5 21.387 0.101 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8679 1196.4 9.0 scans 9.9% 98 m/z (101) 2.4% 0.0363% 2538 1.1 113 21091 1913216 1793366 3-0 14: 98 111 107 139 95 125 100 110 67 96 126 65 112 80 0.885 18.71 145.6 69 95 89 97 153 5.1 0.000 0.162 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 19.1330 1207.6 7.8 scans 10% 71 m/z (134) 1.1% 0.0431% 2583 1.3 123 44586 2271475 2010983 1-3 9: 71 126 127 99 155 113 72 154 100 0.860 29.94 -8.8 75 83 81 82 254 0.0 0.000 -10.808 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 19.2688 1213.3 >18 scans 85% 60 m/z 0.17% 0.729% 2606 0.1 396 294965 38388897 36137188 0-15 20: 60 69 85 73 55 41 97 87 57 101 43 115 45 39 88 42 82 56 83 108 0.988 19.87 145.0 77 95 91 99 144 0.0 0.000 -0.602 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1266 ? Octanoic acid 19.2688 1213.3 >18 scans 81% 60 m/z (71) 0.16% 0.761% 2606 0.1 386 312519 40087276 37735949 0-15 20: 60 69 85 73 55 41 97 87 57 101 43 115 45 39 88 42 82 56 83 108 0.989 22.03 -95.8 74 93 94 98 175 0.0 0.000 -2.765 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 19.5781 1226.4 16.5 scans 56% 122 m/z 0.49% 0.0728% 2658 0.5 166 105490 0.118% 3835642 3691568 6212109 0-3 19: 122 105 77 51 82 50 67 74 55 76 123 109 41 45 49 66 83 37 106 0.848 20.03 155.7 70 90 79 95 122 81.6 24.317 -0.451 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9400 1241.6 9.8 scans 81% 57 m/z 0.15% 0.276% 2719 1.4 298 332518 14532983 13394292 2-4 20: 57 45 41 75 87 56 89 72 101 100 59 85 43 44 60 71 58 73 55 132 0.960 19.81 174.1 79 98 96 100 144 0.0 0.000 0.126 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4264 1260.9 8.2 scans 94% 57 m/z (107) 0.045% 0.880% 2802 1.0 572 1127760 46376422 43902906 2-3 20: 57 71 43 85 41 56 55 70 170 42 84 98 69 99 39 112 113 58 127 72 0.998 20.32 3.2 99 100 100 100 170 76.2 1.776 0.106 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6289 1267.0 8.0 scans 83% TIC 0.55% 0.149% 2836 1.0 252 92850 7868755 7428529 2-1 0.956 20.56 188.3 73 90 93 99 128 22.0 0.758 0.066 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.6295 1267.0 8.0 scans 85% 57 m/z (85) 0.56% 0.180% 2836 1.0 256 91883 9526956 8495861 4-1 20: 57 41 43 55 70 82 71 68 44 56 83 67 112 69 81 96 95 84 42 39 0.989 16.82 -24.4 68 72 84 74 124 2.4 0.000 3.814 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1034 ? Decanal 20.6295 1267.0 8.0 scans 84% 57 m/z (110) 0.55% 0.177% 2836 1.0 253 93988 9342246 8331142 4-1 20: 57 41 43 55 70 82 71 68 44 56 83 67 112 69 81 96 95 84 42 39 0.991 20.57 -140.0 71 90 94 99 138 14.6 0.331 0.060 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1024 ? Hexadecane 20.8650 1274.1 6.9 scans 64% TIC 0.33% 0.0519% 2876 1.0 183 153086 2735318 2443376 2-1 0.939 33.32 7.1 74 75 83 81 226 0.0 0.000 -12.454 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1000 1281.1 8.9 scans 65% 137 m/z (94) 0.42% 0.176% 2916 1.0 241 122883 9285639 8409550 2-3 13: 137 152 109 123 81 67 91 93 107 119 153 110 124 0.949 21.00 195.8 64 87 78 86 155 2.3 0.000 0.099 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2340 1285.1 8.1 scans 19% 281 m/z 1.0% 0.0171% 2939 1.8 77 50235 902357 790413 4-5 18: 281 282 283 265 193 249 207 251 267 266 191 133 208 284 165 194 285 177 0.770 12.25 132.0 75 97 67 96 281 56.3 54.093 8.983 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0912 1310.9 8.1 scans 85% 175 m/z 0.021% 0.897% 3084 0.9 593 2403377 47264329 44097520 5-2 20: 175 57 190 176 91 147 41 115 65 117 105 80 191 77 128 119 131 79 64 58 0.961 22.01 210.5 80 100 98 100 190 160.0 7.282 0.081 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.1732 1343.3 >19 scans 77% 73 m/z 0.29% 0.345% 3267 0.2 267 176192 18188772 16319887 2-3 20: 73 60 57 115 129 55 43 41 98 69 87 39 45 56 61 83 42 101 74 70 0.952 22.70 -132.0 76 95 93 99 158 18.3 0.471 0.477 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8805 1364.6 10.2 scans 68% 57 m/z (125) 0.36% 0.157% 3387 0.9 210 143514 8291135 7800674 1-2 20: 57 71 85 43 69 41 55 56 70 84 184 83 111 42 98 112 97 126 164 86 0.874 23.86 0.6 85 94 87 91 184 25.0 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1219 1372.7 7.3 scans 37% 73 m/z 0.42% 0.0713% 3428 1.0 175 121401 3758135 3407464 2-8 20: 73 341 429 342 325 343 147 430 431 326 74 327 207 344 193 311 432 45 267 148 0.881 24.17 -151.1 79 99 83 98 429 56.8 10.491 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5835 1388.1 7.9 scans 80% 71 m/z 0.14% 0.285% 3506 0.9 341 349227 15032563 13355797 3-4 20: 71 57 85 43 41 84 55 70 113 127 99 56 155 69 42 112 72 86 58 98 0.943 24.54 250.8 78 99 94 98 169 38.1 0.000 0.042 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7240 1392.8 7.8 scans 48% 43 m/z 1.0% 0.0312% 3530 1.0 130 50391 0.0340% 1643498 1501204 1789930 1-3 20: 43 69 83 41 55 142 58 82 113 56 111 85 39 70 68 67 93 143 127 128 0.854 24.70 253.2 64 87 75 95 170 2.3 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.9371 1399.9 >6 scans 48% 99 m/z (178) 0.83% 0.0460% 3566 999.0 148 61693 0.124% 2425390 2223874 6527979 0-2 20: 99 86 56 59 41 212 197 70 141 113 72 114 55 171 111 116 68 42 73 40 0.939 20.36 -0.3 61 60 75 78 170 8.9 0.357 4.579 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5027 1418.8 12.0 scans 91% 84 m/z 0.013% 2.93% 3662 0.8 883 3953545 154716905 143692462 2-4 20: 84 133 162 161 119 42 92 118 85 82 130 65 134 78 51 117 91 77 63 55 0.971 25.89 261.8 77 97 93 97 162 232.3 6.919 -0.389 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8232 1429.5 7.7 scans 80% 93 m/z (85) 0.11% 0.332% 3716 0.9 365 449331 17513672 16472032 2-2 20: 93 121 43 136 91 79 77 81 94 41 107 123 95 108 194 67 55 122 137 39 0.934 25.78 274.2 76 98 90 99 194 54.7 2.255 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1042 1472.3 6.9 scans 13% 221 m/z 3.2% 0.00792% 3933 1.0 62 16161 417136 375135 2-2 16: 221 73 147 189 281 267 222 223 190 120 282 355 283 443 269 357 0.666 27.12 297.4 71 95 72 93 355 13.6 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1042 ?? Contamination 27.21min 27.1042 1472.3 6.9 scans 17% 221 m/z (131) 3.1% 0.0118% 3933 1.0 73 16210 626021 562988 2-2 16: 221 73 147 189 281 267 222 223 190 120 282 355 283 443 269 357 0.419 27.22 -155.5 65 92 49 92 443 8.8 0.000 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.2247 1476.4 9.0 scans 94% TIC 0.020% 2.28% 3953 0.7 888 2523959 120321005 110495605 2-3 0.994 27.21 0.6 100 99 98 99 198 114.6 1.665 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1032 ?? Myosmine 28.0618 1507.9 9.7 scans 31% 118 m/z 1.0% 0.0365% 4095 1.6 110 49514 1926484 1698451 2-3 14: 118 146 145 105 78 131 190 175 117 106 119 133 51 157 0.644 27.93 321.2 66 88 72 93 146 48.2 19.070 0.131 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6763 1531.0 8.3 scans 80% 43 m/z (166) 0.074% 0.601% 4199 0.9 463 697982 31684477 28470847 6-2 20: 43 69 41 151 136 107 67 125 93 109 53 81 83 68 39 108 79 161 91 77 0.992 28.67 333.6 78 99 99 99 194 28.8 0.388 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1108 1547.3 7.8 scans 56% TIC 0.089% 0.438% 4273 1.0 450 575646 0.593% 23106285 22322198 31218478 1-0 0.667 29.09 343.6 75 100 70 96 220 84.8 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5258 1562.9 7.2 scans 44% 73 m/z 0.36% 0.0966% 4343 1.0 207 140770 5090678 4883316 2-3 20: 73 281 147 327 282 415 503 341 283 399 328 221 416 504 325 148 329 74 505 326 0.909 29.61 -150.2 78 98 86 97 503 37.4 3.281 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6775 1568.6 8.8 scans 73% 177 m/z 0.037% 0.940% 4369 0.7 595 1372523 49488275 46636380 2-1 19: 177 158 157 178 91 135 159 77 105 130 79 93 107 133 121 122 192 41 117 0.872 29.68 356.1 76 96 88 95 192 65.2 1.198 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7749 1572.3 7.9 scans 58% 123 m/z 0.040% 0.358% 4385 1.0 384 1282450 18873183 17820663 1-2 15: 123 135 124 107 95 91 79 109 77 93 81 105 125 193 65 0.874 29.77 358.3 77 97 80 97 193 35.0 0.831 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 29.9603 1579.2 8.4 scans 83% TIC 0.045% 1.05% 4417 0.7 625 1144478 55480655 51849341 1-2 0.939 30.38 -15.7 79 79 87 81 212 7.6 0.000 -0.417 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5229 1601.0 8.7 scans 90% 191 m/z 0.010% 1.90% 4512 0.7 850 4869923 100434703 95244321 2-3 20: 191 206 192 57 163 74 91 115 41 107 207 77 147 88 128 161 105 117 119 121 0.996 30.50 376.2 80 100 99 100 206 229.9 7.317 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8404 1614.4 8.4 scans 43% 124 m/z (71) 0.47% 0.0799% 4566 1.1 171 107836 4209477 3997184 3-3 5: 124 137 180 138 54 0.963 30.81 385.0 72 93 84 95 180 47.8 7.827 0.033 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8930 1616.6 9.0 scans 70% TIC 0.24% 0.181% 4575 0.9 303 212367 9577785 9067413 0-1 0.941 30.88 0.6 86 86 78 87 204 70.6 5.437 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2336 1630.9 10.2 scans 71% 111 m/z (71) 0.072% 0.743% 4633 0.7 478 710525 39149414 37501987 1-1 20: 111 109 137 180 67 110 124 152 95 79 77 81 39 93 165 112 91 65 53 138 0.988 31.18 395.9 76 97 97 99 180 105.4 4.855 0.056 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5193 1642.9 10.4 scans 35% TIC 0.54% 0.0382% 4681 1.7 148 94302 2015192 1930003 1-0 0.610 31.52 0.2 80 85 65 84 166 27.0 3.319 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8080 1655.0 8.9 scans 17% 193 m/z (57) 1.8% 0.0222% 4730 0.9 90 27565 1169044 1130363 1-1 5: 193 194 208 175 134 0.695 31.80 0.5 75 81 57 95 208 15.1 2.853 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9249 1659.9 8.2 scans 38% TIC 0.57% 0.0603% 4750 0.6 176 90479 3175644 2904952 1-1 0.626 31.92 0.2 80 88 58 84 219 3.1 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0654 1665.9 6.7 scans 3.3% 221 m/z 2.6% 0.00535% 4774 1.2 47 19372 281746 237900 3-6 13: 221 73 295 341 222 207 223 296 281 342 355 343 356 0.520 32.08 -0.5 85 89 38 87 355 12.6 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4461 1681.9 9.3 scans 64% 57 m/z (204) 0.26% 0.216% 4838 0.9 262 192819 11382135 10353878 1-2 20: 57 71 85 56 43 197 41 55 196 99 113 70 69 141 83 42 127 97 58 198 0.908 32.44 0.2 87 92 92 92 226 10.9 0.173 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6929 1692.2 8.6 scans 84% 205 m/z 0.23% 0.705% 4880 0.8 519 219925 37137087 34795023 2-2 20: 205 91 119 105 43 93 159 79 107 147 162 41 77 187 106 131 121 69 146 145 0.950 32.67 0.7 95 94 91 97 220 32.1 0.382 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8665 1699.5 8.6 scans 38% 70 m/z (149 123) 0.45% 0.159% 4909 1.2 231 113237 8389928 7759108 6-2 3: 70 96 106 0.824 32.87 0.0 69 77 78 82 186 2.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9385 1702.5 8.0 scans 38% 71 m/z (149) 0.15% 0.113% 4921 0.7 197 329210 5955353 5220906 3-10 10: 71 243 155 72 173 143 244 89 73 114 0.894 32.93 0.2 94 97 97 100 243 33.1 2.813 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1212 ? Hexadecene 33.0955 1709.1 8.4 scans 29% 83 m/z (101) 2.3% 0.0404% 4947 1.1 128 22197 0.0476% 2131162 2131162 2505901 0-0 20: 83 97 55 57 69 43 85 84 151 41 98 110 154 152 71 112 194 67 88 125 0.844 33.09 0.4 71 74 81 94 224 4.7 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3198 1718.6 7.7 scans 82% 57 m/z 0.065% 0.612% 4986 0.7 504 792511 32240192 28832877 3-2 19: 57 71 85 43 41 55 99 56 70 69 113 84 226 42 98 83 112 97 141 0.963 33.37 -2.2 99 99 95 98 226 58.6 1.354 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8936 1728.2 7.5 scans 41% 71 m/z (123) 0.88% 0.0476% 5083 1.1 147 58686 0.0590% 2510393 2510393 3106054 0-0 16: 71 43 57 85 70 99 197 196 141 169 127 113 56 168 42 72 0.964 33.90 -0.1 89 92 94 96 197 28.6 3.787 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2738 1733.7 7.9 scans 27% 57 m/z 0.84% 0.0253% 5147 1.3 121 61157 1335657 1248532 1-1 17: 57 71 43 85 98 211 41 210 42 55 182 162 105 113 58 164 141 0.662 34.27 0.1 82 91 75 89 211 25.0 4.314 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3588 1734.9 8.5 scans 91% 355 m/z 0.034% 1.55% 5162 1.0 764 1488258 81667337 75262486 3-2 20: 355 73 147 221 281 401 282 415 267 74 207 283 148 325 133 149 341 399 339 131 0.988 34.39 451.9 81 100 98 100 415 92.8 1.478 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9025 1742.7 20.9 scans 81% 91 m/z 0.020% 3.04% 5254 0.2 769 2564387 160123953 152111749 1-2 20: 91 155 199 90 65 184 92 89 120 44 137 106 63 77 200 64 51 154 157 107 0.987 34.79 453.7 80 99 97 99 199 222.7 8.391 0.117 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3571 1749.2 8.5 scans 70% 57 m/z (146) 0.19% 0.456% 5331 0.7 396 269347 24015158 21557112 4-1 20: 57 71 43 69 55 56 95 85 126 81 41 70 111 83 82 67 96 109 137 97 0.890 35.35 451.8 72 96 90 99 196 36.5 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7006 1754.1 8.6 scans 23% 123 m/z (85) 1.1% 0.0443% 5389 1.0 123 43856 2333254 2045747 5-1 15: 123 193 195 178 209 210 165 175 105 181 194 224 134 131 147 0.896 35.70 451.4 66 90 79 91 224 13.9 1.274 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5436 1766.2 7.0 scans 1.8% 221 m/z 3.9% 0.00628% 5533 0.8 55 13152 330680 310856 2-3 7: 221 73 295 281 369 342 341 0.345 36.58 449.7 62 92 61 88 369 10.4 3.633 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2048 1775.6 8.2 scans 8.5% 209 m/z 1.4% 0.0125% 5644 0.9 73 35459 662803 602370 3-1 13: 209 181 166 165 175 157 224 210 194 225 103 116 193 0.638 37.20 449.3 72 95 56 93 224 28.8 15.750 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0549 1787.8 8.5 scans 60% TIC 0.35% 0.0973% 5788 1.1 221 145922 5124618 4627187 1-2 0.915 38.06 448.1 77 98 91 97 225 41.3 3.483 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5838 1795.3 8.4 scans 81% 73 m/z 0.13% 0.327% 5877 1.0 352 392006 17215302 16363922 2-2 20: 73 429 147 221 355 430 281 341 431 207 356 401 357 222 74 148 325 282 342 295 0.966 38.59 447.2 80 99 95 99 429 104.1 8.726 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8211 1798.7 11.0 scans 51% 57 m/z (127) 0.52% 0.102% 5918 0.7 172 98033 5386117 4986290 1-1 19: 57 43 41 56 70 182 84 112 42 113 72 99 183 140 197 98 53 154 100 0.972 38.91 -1.3 88 91 92 91 254 17.0 0.981 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4421 1866.0 7.6 scans 32% 74 m/z (123) 1.6% 0.0248% 6023 1.0 99 31929 1309365 1219458 1-7 10: 74 87 75 143 88 228 229 60 59 225 0.861 39.45 504.5 70 95 88 98 256 14.3 2.081 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1018 ? Neophytadiene 39.7586 1905.2 7.5 scans 89% 68 m/z 0.13% 0.711% 6077 0.9 558 394182 37444463 34996276 1-2 20: 68 95 82 57 123 69 55 43 81 83 67 41 71 97 96 109 124 111 85 79 0.990 39.94 536.1 79 99 98 98 278 29.4 0.277 -0.177 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8802 1920.3 7.6 scans 56% 58 m/z 0.66% 0.0824% 6097 1.1 195 77595 4343162 3982836 1-4 9: 58 43 59 109 95 110 124 82 123 0.885 39.88 552.0 75 97 89 95 250 22.0 1.272 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3028 1972.7 7.9 scans 49% 149 m/z 0.15% 0.0806% 6169 0.9 180 335216 4244862 3895246 2-2 12: 149 150 104 76 223 167 205 93 65 121 132 50 0.859 40.31 597.8 77 99 84 99 223 42.4 5.533 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6057 2010.2 6.8 scans 19% 221 m/z (107) 3.8% 0.00843% 6220 1.0 61 13509 443779 405384 3-3 19: 221 73 147 296 295 281 207 369 297 148 208 222 370 74 327 282 205 265 341 0.676 40.63 630.1 70 98 77 97 369 11.1 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1254 Phytol 40.8412 2039.4 7.3 scans 13% 82 m/z 3.8% 0.00864% 6260 1.5 66 13497 454954 414200 1-2 16: 82 81 95 109 123 68 96 79 67 124 278 113 72 77 110 211 0.411 40.87 -3.3 82 87 41 83 278 13.0 3.922 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9894 2057.8 8.1 scans 33% 138 m/z (70 246) 2.0% 0.0306% 6285 1.0 108 24803 1610931 1510630 2-2 12: 138 120 109 121 124 93 139 262 65 82 64 355 0.831 41.00 672.0 72 97 94 99 262 13.3 1.526 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2320 2087.9 8.1 scans 54% 79 m/z (268) 1.3% 0.0653% 6326 1.2 159 37124 3440748 3255989 1-1 12: 79 67 93 80 95 91 121 108 81 94 77 107 0.949 41.26 -3.1 91 95 92 95 264 10.3 0.417 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4363 2113.2 8.3 scans 76% 205 m/z 0.33% 0.302% 6361 0.8 347 152421 15940378 14886868 2-2 20: 205 217 57 175 189 220 177 55 232 41 91 261 203 191 77 161 192 233 109 67 0.909 41.49 -83.4 84 100 92 99 276 23.2 0.449 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8277 2138.3 8.1 scans 54% 57 m/z (175) 1.5% 0.0691% 6427 1.0 146 33853 3640722 2791042 7-1 20: 57 71 84 43 85 125 69 97 55 41 70 99 98 83 127 111 42 155 113 81 0.952 41.48 19.3 65 69 83 73 268 2.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0089 2148.5 8.5 scans 94% TIC 0.023% 1.77% 6458 0.7 823 2160107 93388810 89572604 2-2 0.988 42.01 746.5 80 100 99 99 272 20.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3525 2167.8 7.4 scans 36% 73 m/z 1.2% 0.0249% 6516 1.2 103 40826 1315385 1188033 2-5 20: 73 147 281 221 503 341 207 429 283 282 148 462 431 356 430 504 222 415 357 355 0.781 42.37 758.8 72 97 79 96 503 19.3 3.511 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1248 ?? Diterpene 42.9min RI2199 42.8661 2196.6 7.8 scans 18% 148 m/z (61) 10% 0.00772% 6603 1.0 56 5104 406631 397897 4-1 3: 148 133 175 0.620 42.90 -2.1 69 79 44 82 272 5.1 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN HCMIX_~1-N1020 ? Icosane 43.8425 2251.4 8.7 scans 50% 71 m/z (205) 1.7% 0.0332% 6768 1.4 106 29567 1748702 1572659 1-2 18: 71 57 85 43 127 267 55 99 41 113 126 69 70 84 56 54 128 111 0.877 43.94 -5.3 72 89 87 87 282 5.7 0.000 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2899 2277.1 7.2 scans 14% 221 m/z (57) 9.5% 0.00282% 6844 1.4 34 5428 148846 134952 4-1 5: 221 222 295 296 369 0.651 44.32 829.8 67 99 69 96 369 7.6 4.995 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9623 2315.8 9.1 scans 24% 131 m/z (85) 18% 0.00735% 6958 0.9 48 2747 386950 349710 4-6 15: 131 145 159 143 119 270 79 105 133 129 134 157 144 92 78 0.575 44.99 855.4 62 96 56 93 270 8.5 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7935 2363.6 7.5 scans 31% 73 m/z 2.1% 0.0131% 7099 1.0 75 23864 694194 647264 2-2 19: 73 355 221 147 281 356 341 357 267 207 148 429 282 295 283 358 503 223 401 0.715 45.78 1.0 91 94 64 91 503 8.8 1.383 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9104 2370.3 8.1 scans 83% TIC 0.097% 0.488% 7119 1.6 404 528110 25738808 23148302 2-4 0.936 45.92 891.6 79 99 94 98 298 67.6 2.805 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0993 2381.2 8.7 scans 68% 79 m/z (74) 0.54% 0.149% 7150 1.0 221 95284 7887500 7026109 2-5 16: 79 93 67 95 81 94 121 135 109 136 122 66 59 236 53 77 0.957 46.13 -2.0 92 95 92 96 292 17.8 0.650 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4016 2398.6 14.5 scans 21% 69 m/z (192) 11% 0.00944% 7202 1.5 46 4338 497100 486356 1-0 16: 69 113 43 195 178 123 42 55 139 175 41 82 155 141 105 147 0.413 46.49 -5.4 77 90 34 82 290 7.5 0.000 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7558 2419.0 8.1 scans 74% 74 m/z 0.40% 0.0918% 7262 1.0 195 126794 4834203 4531874 2-3 20: 74 87 143 43 75 55 298 255 41 69 199 57 83 101 129 59 299 97 88 267 0.921 46.76 923.9 78 99 91 98 298 35.9 3.404 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4960 2461.6 8.0 scans 21% 138 m/z (98) 7.2% 0.00412% 7387 1.1 39 7111 217068 193876 2-5 5: 138 120 121 139 65 0.650 47.50 948.8 62 93 58 90 168 5.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9294 2544.1 7.6 scans 52% 73 m/z (91) 2.9% 0.0122% 7630 1.3 68 17600 642445 577122 2-6 18: 73 147 355 281 356 430 431 341 357 148 222 327 401 223 205 432 295 208 0.772 48.95 993.7 71 99 79 98 429 19.6 8.210 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3508 2625.9 7.9 scans 68% 74 m/z 0.95% 0.0420% 7871 1.1 130 53964 2214528 2064172 2-5 20: 74 87 43 75 143 326 55 57 69 41 283 83 97 71 85 101 227 59 129 199 0.827 50.36 1038.9 73 96 84 94 326 27.0 4.308 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8456 2711.8 8.3 scans 45% 73 m/z 3.6% 0.00893% 8124 1.1 58 14262 470372 433078 4-4 19: 73 429 221 147 355 281 295 356 430 267 222 327 223 325 415 357 208 342 148 0.674 51.86 1080.9 71 95 64 92 503 10.3 3.119 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 61.6616 3277.9 13.4 scans 23% 222 m/z (429) 13% 0.00373% 9787 1.3 30 3937 196862 178950 3-2 10: 222 355 295 356 73 281 431 341 147 223 0.524 45.81 1801.4 61 91 58 87 503 5.5 0.000 15.850 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1541 772.4 4.8 scans 90% 77 m/z (73) 0.029% 0.217% 45 2.6 365 1533472 14160616 11653822 1-6 15: 77 45 78 79 62 76 59 75 63 47 61 46 92 64 80 0.997 4.37 18.4 99 100 99 100 77 310.8 72.690 -0.217 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.2356 826.6 8.6 scans 41% 57 m/z (73) 0.76% 0.0183% 398 0.4 80 60194 1195459 988369 2-9 19: 57 41 56 45 44 39 59 43 72 67 58 42 82 102 50 87 40 54 53 0.541 6.03 -135.0 63 96 65 96 102 9.8 0.000 0.203 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.6016 836.1 >21 scans 77% TIC 0.47% 0.0404% 460 2.5 103 95829 0.0465% 2639564 2527452 3033668 2-0 0.899 6.53 -140.7 80 100 88 99 207 77.7 57.333 0.074 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6931 864.5 8.8 scans 94% 55 m/z 0.20% 0.307% 645 1.8 346 220160 20086522 18255682 1-4 20: 55 69 41 83 39 42 57 98 70 97 43 56 80 53 54 40 79 68 51 38 0.996 7.71 9.2 100 99 99 100 98 72.6 4.406 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKSTART-N1004 ?? Contamination 12.42min 11.2191 956.3 11.8 scans 27% 57 m/z 1.9% 0.0110% 1242 0.4 66 23228 718546 656920 1-1 18: 57 73 55 41 39 56 87 81 69 70 42 71 75 84 67 79 38 44 0.443 12.42 6.6 69 70 69 72 281 0.0 0.000 -1.200 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2410 982.9 10.5 scans 49% 281 m/z 0.46% 0.0608% 1415 2.0 142 98248 3972999 3560082 2-3 20: 281 43 99 71 282 283 108 41 133 55 265 191 193 249 72 284 205 179 100 93 0.684 12.22 36.6 91 97 46 99 281 78.7 30.609 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6849 994.5 10.3 scans 73% 81 m/z 0.35% 0.0605% 1490 2.0 148 127316 3952618 3660614 1-2 20: 81 110 53 67 79 39 41 68 65 77 51 95 82 66 64 50 54 62 109 63 0.951 13.22 30.9 93 96 92 98 110 44.2 8.951 -0.537 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1040 Decane 12.8201 998.0 7.9 scans 66% TIC 0.85% 0.0208% 1513 1.1 119 53796 1358628 1221025 1-1 0.950 12.90 -2.0 98 98 93 98 142 17.4 2.154 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9423 1001.3 8.4 scans 50% 56 m/z (52) 4.0% 0.0180% 1534 1.5 87 11353 1176268 1108405 1-2 17: 56 84 44 57 41 82 85 100 69 42 59 68 67 103 54 58 95 0.924 12.96 -173.5 66 90 84 95 110 7.5 0.734 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 13.8969 1027.1 8.2 scans 45% 57 m/z (77) 1.2% 0.0182% 1696 1.3 88 35847 1192935 1030508 2-3 14: 57 41 81 83 70 55 56 54 82 112 58 98 71 72 0.778 18.83 -25.6 65 76 66 78 122 2.3 0.000 -4.933 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1053 1032.8 11.6 scans 49% 108 m/z (82) 2.4% 0.0171% 1731 1.6 73 18871 1115667 1019038 1-2 14: 108 79 107 77 115 51 80 90 78 65 74 68 105 38 0.940 14.11 53.8 88 99 94 99 108 32.9 20.311 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4612 1042.4 9.9 scans 91% 91 m/z 0.036% 0.464% 1791 1.4 405 1258103 30320585 27366671 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 66 38 52 74 61 75 0.990 14.44 57.6 91 100 99 100 120 132.8 10.745 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1879 1062.1 >11 scans 78% 105 m/z 0.093% 0.226% 1914 1.0 295 489755 14759300 13769304 3-0 20: 105 77 123 46 106 124 50 78 75 76 52 93 53 80 49 63 125 47 38 90 0.986 15.17 64.7 89 100 98 100 123 107.7 13.355 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN 98-86-2 ? Acetophenone 15.2924 1064.9 9.5 scans 80% 105 m/z 0.025% 0.740% 1932 0.9 570 1815844 48284071 43537516 1-4 20: 105 77 120 51 106 50 78 43 121 74 76 63 75 39 65 52 62 91 38 89 0.990 15.29 -180.8 79 98 97 99 120 202.7 12.633 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4400 1068.9 9.0 scans 44% 95 m/z 0.16% 0.129% 1957 1.4 244 272490 8425011 7699801 2-5 18: 95 81 124 43 79 41 109 53 39 82 65 96 66 67 80 54 40 123 0.880 15.43 67.2 84 97 88 97 124 75.4 9.573 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1002 Undecane 16.5982 1100.5 8.8 scans 60% 71 m/z 0.54% 0.0522% 2153 1.2 164 84228 0.0614% 3406719 3275936 4005747 0-3 16: 71 57 85 41 84 70 55 113 127 56 69 99 112 126 170 80 0.873 16.59 0.5 81 84 84 83 156 3.3 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7860 1108.4 9.0 scans 76% 57 m/z (267) 0.32% 0.177% 2185 1.4 257 142593 11564338 10112027 6-4 20: 57 41 56 55 98 43 82 70 69 44 68 95 81 96 67 39 42 54 114 45 0.991 16.82 86.0 77 95 95 95 124 14.8 0.331 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1008 ? Maltol 16.9696 1116.2 8.5 scans 51% 71 m/z 0.94% 0.0252% 2216 1.2 116 48424 1649347 1553613 1-2 18: 71 126 43 110 58 128 55 95 85 41 129 84 97 69 72 57 70 127 0.842 16.96 91.6 72 90 76 89 156 8.3 0.512 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0681 1120.3 12.3 scans 13% 91 m/z (81) 4.7% 0.00503% 2233 1.1 37 9694 328277 284262 3-3 4: 91 92 122 93 0.701 17.05 94.3 64 88 77 93 122 13.0 12.071 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 17.6667 1145.6 >12 scans 43% TIC 3.9% 0.00456% 2334 0.0 57 11524 0.0108% 298055 298055 704594 0-0 0.764 24.54 8.3 78 82 73 81 169 0.0 0.000 -6.875 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0723 1162.7 10.4 scans 65% 73 m/z 0.67% 0.0429% 2403 1.8 128 67790 2800950 2660618 2-2 20: 73 355 267 356 357 268 251 358 74 270 195 59 269 205 249 323 163 223 237 193 0.863 18.13 -169.0 79 99 81 98 355 58.7 21.225 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN M4942-N1002 ? Pyranone 18.1791 1167.3 9.7 scans 62% 144 m/z (357) 1.2% 0.0323% 2421 1.6 106 37566 2107751 1981804 2-4 13: 144 43 101 44 72 45 115 71 146 42 126 145 58 0.888 20.04 -223.2 75 99 87 98 144 47.1 19.557 -1.863 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1018 ? Pyranone 18.1791 1167.3 9.7 scans 51% 144 m/z 1.2% 0.0238% 2421 1.6 97 37012 1554525 1461636 2-4 13: 144 43 101 44 72 45 115 71 146 42 126 145 58 0.858 18.22 123.8 72 92 75 92 144 47.7 24.218 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2919 1172.0 9.0 scans 6.3% 281 m/z 11% 0.00110% 2440 1.5 22 4014 72080 64560 1-1 6: 281 282 111 193 265 283 0.736 12.25 18.9 75 87 39 85 281 15.9 53.919 6.041 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9997 1201.9 7.6 scans 15% 71 m/z (62) 0.88% 0.0391% 2560 1.2 135 51728 2554098 2243564 3-2 7: 71 127 99 154 72 155 170 0.932 29.94 -14.5 79 83 86 84 254 0.0 0.000 -10.941 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1260 1207.3 10.2 scans 2.4% 81 m/z (85) 2.0% 0.0114% 2581 1.3 56 22007 744666 510047 2-11 1: 81 0.773 19.12 150.2 62 91 71 89 97 7.1 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.8120 1236.2 11.2 scans 17% 82 m/z (73) 0.17% 0.192% 2698 0.3 246 263055 12544472 12036186 1-1 20: 82 45 57 83 75 43 41 85 101 55 72 59 56 39 60 89 132 61 58 44 0.863 19.81 168.7 65 92 87 94 144 7.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1266 Octanoic acid 20.1302 1249.7 >11 scans 93% 60 m/z 0.071% 0.892% 2752 0.1 599 639555 58197940 55830332 0-5 20: 60 69 85 73 55 97 101 41 115 87 57 88 43 108 82 98 45 56 39 83 0.998 22.03 -59.4 83 89 91 99 175 0.0 0.000 -1.904 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 20.2937 1256.6 7.9 scans 27% 105 m/z 0.23% 0.0918% 2779 0.5 200 191291 5992493 4937636 1-11 16: 105 122 77 51 50 106 123 76 74 78 75 94 52 38 49 104 0.948 20.03 185.9 75 96 93 96 122 101.2 25.627 0.265 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3256 1257.9 8.4 scans 90% 57 m/z (105) 0.044% 0.660% 2785 1.2 536 1030363 43061123 41070708 3-1 18: 57 71 43 85 41 56 70 55 170 98 42 84 99 112 113 58 83 126 0.981 20.32 0.2 98 100 98 99 170 74.2 1.912 0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1034 ? Decanal 20.5340 1264.1 7.9 scans 73% 57 m/z (110) 0.83% 0.0763% 2820 1.1 188 54742 4979831 4530373 3-2 20: 57 41 55 43 68 82 70 71 44 83 67 112 56 81 69 96 42 39 84 54 0.975 20.57 -142.9 77 98 98 99 138 9.0 0.227 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5340 1264.1 7.8 scans 73% TIC 0.84% 0.0624% 2820 1.0 188 54136 4071871 3728009 2-2 0.927 20.56 185.4 76 98 97 99 128 16.3 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9684 1277.2 13.5 scans 25% 94 m/z (137) 0.99% 0.0206% 2894 1.7 79 45981 1349189 1263553 1-2 8: 94 138 139 66 45 87 147 76 0.925 20.98 192.2 71 94 81 97 152 5.5 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0045 1278.2 8.8 scans 59% 137 m/z (127) 0.90% 0.0549% 2900 1.0 154 50650 3586943 3374091 2-5 13: 137 152 109 123 81 67 91 93 107 53 110 121 153 0.941 21.00 192.9 63 85 74 84 155 0.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1024 ? Hexadecane 21.0842 1280.6 8.1 scans 82% TIC 0.42% 0.0768% 2913 1.5 198 106788 5011983 4567097 0-2 0.962 33.32 13.6 75 74 88 79 226 0.0 0.000 -12.235 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1042 ?? Phytol 21.2896 1286.8 7.9 scans 13% 56 m/z (33) 8.3% 0.00431% 2948 0.8 44 5495 281350 250271 5-0 11: 56 70 57 71 267 111 126 98 67 123 96 0.834 35.35 -10.6 64 75 60 71 196 0.0 0.000 -14.057 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0175 1308.6 8.2 scans 91% TIC 0.017% 0.828% 3071 0.8 619 2660376 54023750 47759651 3-4 0.976 22.01 208.2 80 100 98 100 190 167.6 7.319 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9041 1335.3 8.2 scans 42% 109 m/z (57 129) 0.56% 0.0510% 3221 1.0 148 80643 3333127 2933443 5-5 3: 109 110 282 0.842 22.91 221.7 63 92 79 93 127 24.7 2.800 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.6899 1358.8 17.6 scans 67% 73 m/z (155) 0.16% 0.504% 3355 0.2 347 279349 32937320 25362660 2-4 20: 73 60 57 115 55 41 129 43 69 98 61 87 101 45 56 70 39 83 42 84 0.976 25.35 209.6 73 93 92 99 162 0.0 0.000 -1.664 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.6899 1358.8 17.6 scans 60% 73 m/z (99) 0.16% 0.458% 3355 0.2 331 279349 29903097 23026224 2-4 20: 73 60 57 115 55 41 129 43 69 98 61 87 101 45 56 70 39 83 42 84 0.941 22.70 -116.5 72 93 88 98 158 24.4 0.546 0.994 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8327 1363.1 9.9 scans 59% 57 m/z (99) 0.39% 0.0902% 3379 1.1 176 115937 5884671 5332946 1-2 20: 57 43 71 85 69 41 55 83 56 70 84 111 42 154 112 98 97 127 113 54 0.798 23.86 -0.9 87 95 83 92 184 22.0 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0931 1371.7 7.2 scans 53% 341 m/z 0.33% 0.0681% 3422 1.0 194 136277 4447770 4130847 2-2 19: 341 73 429 342 325 343 147 430 431 326 74 207 327 432 251 148 345 191 311 0.861 24.17 -152.1 79 99 87 99 429 61.5 10.073 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7141 1392.5 >9 scans 62% TIC 1.0% 0.0207% 3528 0.5 117 43319 0.0401% 1350677 1274050 2616131 1-0 0.916 24.70 252.9 68 89 82 95 170 2.1 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.5831 1421.5 >25 scans 96% TIC 0.0059% 10.6% 3675 0.3 1410 7688181 693899367 683400114 0-1 0.997 25.89 264.5 79 98 97 99 162 392.2 7.736 -0.309 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0872 1471.7 6.7 scans 24% 221 m/z 2.0% 0.00973% 3930 0.9 76 22133 635255 592833 2-2 18: 221 147 73 267 281 222 355 443 189 357 265 149 356 445 207 444 223 191 0.753 27.12 296.8 73 96 77 94 355 15.6 4.163 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.2041 1475.6 8.7 scans 93% 57 m/z 0.018% 1.69% 3950 0.6 882 2448147 110757981 102016134 2-5 20: 57 71 43 85 41 55 56 70 99 69 84 98 42 113 112 83 127 126 141 97 0.992 27.21 -0.2 100 100 99 100 198 114.0 1.669 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9916 1505.2 15.7 scans 70% TIC 0.34% 0.0540% 4083 1.2 182 134622 0.0809% 3527036 3527036 5277930 0-0 0.974 27.93 318.5 78 97 95 98 146 80.6 19.627 0.061 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3895 1520.2 8.7 scans 54% 80 m/z (71) 0.50% 0.0368% 4151 0.9 126 90382 2401207 2247452 2-3 13: 80 171 104 53 172 91 103 51 65 63 50 116 173 0.914 28.39 326.8 74 98 91 98 171 55.9 19.737 0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6581 1530.3 8.0 scans 70% 43 m/z (99) 0.15% 0.204% 4196 0.9 306 303526 13347003 12261249 4-1 20: 43 69 41 151 107 136 125 67 93 109 81 121 53 68 83 39 161 108 79 91 0.973 28.67 332.9 77 99 98 99 194 20.3 0.442 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0932 1546.6 7.9 scans 68% 71 m/z (165) 0.12% 0.321% 4270 1.0 392 360387 0.538% 20944747 19111831 35099213 2-0 20: 71 57 43 85 41 70 220 55 141 113 56 112 99 135 67 69 97 163 84 183 0.874 29.09 342.9 74 99 87 98 220 55.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5141 1562.5 7.1 scans 64% 73 m/z 0.21% 0.123% 4341 1.0 262 213124 8067380 7592626 2-3 20: 73 281 147 327 282 415 503 283 328 399 221 341 504 416 148 329 74 325 417 342 0.926 29.61 -150.6 79 99 90 98 503 46.9 3.199 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6699 1568.3 9.6 scans 82% 158 m/z 0.026% 1.17% 4367 0.8 699 1723571 76704372 72574484 2-2 20: 158 177 157 130 159 116 117 77 89 79 105 63 91 156 90 135 78 104 51 103 0.905 29.68 355.8 77 96 86 96 192 49.6 0.503 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6841 1568.9 8.5 scans 65% 112 m/z (169) 0.040% 0.614% 4370 0.7 538 1123092 40108595 40108595 0-0 3: 112 146 190 0.912 29.68 356.3 72 90 87 100 158 266.0 24.432 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7579 1571.6 7.9 scans 43% 123 m/z (169) 0.12% 0.0900% 4382 1.2 207 381685 5877518 5448331 1-4 13: 123 135 124 107 95 109 77 93 193 165 108 122 136 0.949 29.77 357.6 74 96 88 97 193 20.2 0.952 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3228 1592.9 8.8 scans 39% 57 m/z (105) 0.44% 0.0629% 4478 1.1 187 101882 0.127% 4107393 4082446 8285502 1-0 20: 57 43 71 85 41 212 55 56 99 42 70 154 69 151 54 155 58 97 140 113 0.957 30.38 -2.0 86 86 94 94 212 24.0 1.656 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5218 1601.0 8.6 scans 91% 191 m/z 0.010% 1.39% 4512 0.8 805 4434254 90820483 87225512 1-3 20: 191 206 192 57 163 175 91 41 107 207 77 73 88 128 161 133 105 117 119 65 0.997 30.50 376.2 81 100 99 100 206 217.8 7.325 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8299 1613.9 8.6 scans 42% 124 m/z (71) 0.53% 0.0514% 4564 0.8 149 85962 3358869 3083561 3-3 6: 124 137 180 54 138 181 0.953 30.81 384.5 74 97 91 98 180 40.3 7.333 0.023 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8854 1616.3 8.6 scans 54% 161 m/z (207) 0.44% 0.0979% 4574 1.0 204 102630 6389875 5775405 2-5 17: 161 162 119 147 134 204 105 91 133 77 205 115 117 145 163 131 92 0.912 30.88 0.3 84 87 73 87 204 49.9 5.969 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9521 1619.1 8.6 scans 13% 172 m/z (161) 1.6% 0.0122% 4583 1.7 71 27662 796322 734618 3-4 2: 172 171 0.652 30.93 1.1 82 88 62 95 171 41.7 34.375 0.025 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2178 1630.2 9.7 scans 62% 111 m/z (85) 0.13% 0.269% 4630 0.8 322 329250 17571461 16145531 2-2 20: 111 137 109 180 67 110 152 124 95 79 77 39 81 165 91 65 93 53 138 112 0.988 31.18 395.2 73 93 94 99 180 72.1 5.005 0.040 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5147 1642.7 10.4 scans 46% 43 m/z 0.43% 0.0582% 4680 1.5 167 105493 3799989 3695674 1-0 20: 43 71 85 98 55 127 111 84 41 166 99 82 68 151 70 56 83 69 183 126 0.696 31.52 0.0 85 89 74 87 166 28.3 2.877 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9167 1659.6 7.7 scans 47% 71 m/z 0.49% 0.0602% 4748 0.7 185 92738 3932703 3697807 2-1 19: 71 85 57 83 43 55 99 41 69 113 84 70 127 56 155 67 112 111 183 0.737 31.92 -0.1 77 84 65 82 219 3.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0608 1665.7 6.8 scans 23% 221 m/z (123) 0.55% 0.0399% 4772 0.9 150 82348 2608771 2505706 2-2 18: 221 73 147 222 295 207 355 341 223 281 325 296 267 356 74 208 326 265 0.873 32.08 -0.7 94 98 91 98 355 27.2 3.287 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2367 1673.0 9.0 scans 40% TIC 0.16% 0.125% 4802 1.1 242 277371 8166228 7158268 2-2 0.505 32.24 -0.1 68 70 45 81 226 10.4 0.184 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4445 1681.8 10.0 scans 67% 57 m/z (98) 0.29% 0.152% 4837 0.8 235 156082 9971872 9295120 1-1 20: 57 71 41 99 113 69 70 141 168 169 42 198 183 111 58 86 82 72 79 39 0.882 32.44 0.1 87 94 89 94 226 9.3 0.157 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6918 1692.2 8.7 scans 84% 205 m/z 0.25% 0.469% 4879 0.9 467 180573 30654781 28884761 2-3 20: 205 91 119 105 43 93 159 79 107 162 147 41 77 131 187 121 81 106 67 133 0.947 32.67 0.7 96 96 93 97 220 29.3 0.393 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8630 1699.4 7.8 scans 25% 70 m/z (149) 0.59% 0.0489% 4908 1.1 148 76674 3191346 2735267 10-4 1: 70 0.683 32.87 -0.1 73 85 69 87 186 4.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9315 1702.2 8.1 scans 32% 71 m/z (149) 0.28% 0.0486% 4921 0.5 141 161049 3172950 2830306 2-3 8: 71 155 72 143 73 243 173 215 0.818 32.93 -0.1 88 91 93 99 243 23.1 2.695 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0873 1708.8 8.4 scans 31% 83 m/z (179) 1.9% 0.0306% 4947 1.1 122 23237 0.0401% 1997455 1949891 2616131 0-4 18: 83 57 97 55 43 69 56 84 41 85 71 98 99 68 110 125 42 67 0.889 33.09 0.1 80 90 88 94 224 7.0 0.329 0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3235 1718.7 8.1 scans 90% 57 m/z 0.036% 0.837% 4987 0.7 646 1243670 54635058 52054783 6-1 20: 57 71 85 43 41 55 99 56 70 69 113 84 98 42 226 83 127 112 97 126 0.984 33.37 -2.1 100 100 99 100 226 74.4 1.323 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8914 1728.2 >9 scans 53% TIC 0.59% 0.0376% 5083 1.0 176 77237 0.117% 2453617 2361137 7633100 0-1 0.823 33.90 -0.1 83 86 85 97 197 32.2 3.354 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2710 1733.6 7.5 scans 34% 57 m/z (154) 0.90% 0.0310% 5147 1.0 124 50749 2026075 1924380 0-1 18: 57 71 85 43 211 41 98 210 55 141 182 113 56 183 70 169 127 54 0.845 34.27 0.0 86 94 90 96 211 23.4 3.530 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3648 1735.0 9.1 scans 94% 355 m/z 0.012% 3.18% 5163 0.7 1193 3619704 208055754 194903710 2-2 20: 355 73 147 281 356 415 402 267 207 74 148 385 325 341 133 339 131 265 59 45 0.986 34.39 452.0 81 100 98 100 415 148.8 1.557 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8914 1742.5 20.7 scans 83% 91 m/z 0.018% 2.38% 5252 0.3 748 2435400 155377155 148041346 1-3 20: 91 155 199 65 184 92 89 120 44 137 63 106 156 64 134 78 157 121 93 108 0.989 34.79 453.5 80 99 97 99 199 217.7 8.464 0.105 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6984 1754.1 9.0 scans 32% 123 m/z (57) 0.51% 0.0542% 5389 1.1 150 89263 3538339 3238459 2-3 13: 123 193 124 195 210 209 175 181 165 194 151 131 211 0.905 35.70 451.4 67 90 78 93 224 10.4 0.481 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9440 1757.6 16.9 scans 41% TIC 0.59% 0.136% 5430 1.0 258 76580 0.185% 8927148 8443662 12069432 1-0 0.579 35.94 451.2 60 85 48 85 238 9.5 0.134 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1186 ?? Cotinine 36.1771 1760.9 10.3 scans 11% 98 m/z (57 161) 0.90% 0.0259% 5470 1.1 90 50418 1690545 1604322 3-3 8: 98 176 118 175 253 76 62 117 0.681 36.19 -88.9 61 90 70 91 176 34.1 14.415 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5142 1765.7 7.2 scans 8.0% 221 m/z 0.53% 0.0411% 5527 0.9 149 86065 2682582 2443606 2-4 15: 221 73 295 147 281 369 296 341 429 370 267 282 327 249 342 0.688 36.58 449.2 60 86 70 85 369 27.3 3.348 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0562 1787.8 8.3 scans 59% 57 m/z 0.28% 0.0939% 5788 1.0 227 158851 6129169 5802216 2-1 20: 57 71 85 43 56 225 41 99 55 69 224 113 127 70 141 83 98 84 155 42 0.880 38.06 448.1 77 98 88 97 225 42.9 3.576 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5621 1795.0 9.2 scans 92% 73 m/z 0.033% 1.11% 5874 1.0 693 1357211 73036584 69571727 2-3 20: 73 429 147 430 281 341 431 207 401 357 74 148 282 342 267 325 223 459 343 283 0.986 38.59 446.9 80 100 98 100 429 205.2 8.764 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8277 1798.8 9.7 scans 69% 57 m/z (239) 0.25% 0.153% 5919 0.8 246 182172 10001026 9402346 1-1 19: 57 71 85 43 41 99 56 70 254 69 113 42 98 112 140 141 72 155 58 0.989 38.91 -1.2 96 99 97 98 254 24.7 1.008 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1014 ?? Heptadecane 39.0585 1818.4 >9 scans 28% 57 m/z (105) 2.1% 0.0173% 5958 0.8 85 21619 1133973 955048 1-2 19: 57 71 85 119 43 99 113 98 127 111 169 100 70 86 69 41 91 195 56 0.887 36.21 -32.5 61 75 74 79 240 2.6 0.000 2.848 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4434 1866.1 7.8 scans 15% 74 m/z 1.5% 0.00877% 6023 1.0 68 30476 572365 529883 3-2 12: 74 87 143 225 75 129 60 157 228 88 186 213 0.530 39.45 504.6 67 94 45 89 256 14.5 4.528 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1018 ? Neophytadiene 39.7669 1906.2 7.9 scans 90% 68 m/z 0.082% 0.850% 6078 0.8 664 554322 55476768 51249750 2-2 20: 68 95 82 123 57 69 43 55 81 83 67 41 97 71 96 109 124 111 79 85 0.993 39.94 537.1 79 99 99 99 278 34.9 0.277 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8838 1920.7 7.8 scans 61% 58 m/z (249) 0.52% 0.0983% 6098 0.9 219 87332 6415658 5835369 1-3 10: 58 43 59 95 109 110 124 123 250 96 0.975 39.88 552.4 75 99 98 98 250 22.2 1.029 0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3047 1972.9 7.9 scans 45% 149 m/z 0.14% 0.0618% 6169 1.0 176 324983 4032307 3737711 2-2 12: 149 223 150 104 76 167 93 205 132 65 105 121 0.826 40.31 598.0 77 99 82 99 223 42.7 5.899 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5999 2009.5 7.0 scans 52% 221 m/z (265) 0.78% 0.0352% 6219 1.0 139 58091 2302014 2174130 1-2 19: 221 73 147 295 281 207 222 296 223 341 369 297 282 148 267 357 370 355 74 0.911 40.63 629.4 74 98 95 99 369 22.9 2.729 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1254 ? Phytol 40.8484 2040.3 11.5 scans 6.6% TIC 2.1% 0.00418% 6261 1.8 50 21240 272788 267989 0-1 0.130 40.87 -2.4 71 88 12 78 278 14.0 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9895 2057.8 8.0 scans 24% 138 m/z 1.4% 0.0177% 6285 1.1 102 32571 1158030 1044731 2-1 14: 138 120 109 121 69 124 262 139 65 93 82 149 263 68 0.678 41.00 672.0 72 99 76 98 262 14.6 2.068 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2386 2088.7 7.8 scans 82% 79 m/z (183) 0.22% 0.268% 6327 1.0 356 204303 17513603 15803915 2-2 20: 79 93 67 95 80 55 91 108 121 81 41 77 94 107 135 87 59 78 122 68 0.991 41.26 -2.3 96 97 98 100 264 24.9 0.489 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4429 2114.0 8.3 scans 77% 205 m/z 0.27% 0.276% 6362 0.8 367 164282 18054562 16980808 2-2 20: 205 57 217 175 189 220 177 55 232 41 91 261 191 203 192 161 77 109 206 135 0.907 41.49 -82.6 84 100 93 99 276 24.2 0.436 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1018 ? Nonadecane 41.8331 2138.7 8.5 scans 49% 71 m/z (54) 0.97% 0.0511% 6428 0.7 146 46999 0.0596% 3339260 3339260 3888314 0-0 20: 71 57 85 43 84 99 55 70 69 97 113 41 83 125 93 127 111 98 169 81 0.918 41.48 19.7 70 78 87 78 268 2.0 0.000 0.350 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0226 2149.3 8.9 scans 94% 74 m/z 0.015% 2.16% 6460 0.6 991 3048500 140963474 133695627 2-2 20: 74 87 143 55 43 75 227 270 41 69 57 239 83 129 59 185 97 101 199 88 0.994 42.01 747.3 80 99 99 99 272 24.4 0.060 0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3414 2167.2 7.5 scans 61% 73 m/z 0.40% 0.0652% 6514 1.0 185 113360 4258460 3922372 2-4 20: 73 147 281 221 355 429 503 341 207 282 356 430 222 148 505 415 74 327 295 461 0.899 42.37 758.2 74 95 88 98 503 32.0 2.997 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1020 ? Icosane 43.8467 2251.7 9.2 scans 54% 71 m/z (205) 1.2% 0.0386% 6769 1.2 125 37564 2524229 2288471 1-2 19: 71 57 85 43 127 99 267 97 55 41 113 83 69 70 155 126 239 42 114 0.939 43.94 -5.0 72 76 90 89 282 6.7 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1234 ?? Thunbergol 45.1507 2326.6 6.9 scans 22% 257 m/z (105) 16% 0.00488% 6990 1.3 48 2776 318492 295092 0-6 5: 257 137 112 163 148 0.531 44.90 14.4 69 85 51 79 272 5.2 0.000 0.250 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7913 2363.5 10.0 scans 47% TIC 1.3% 0.0163% 7098 1.4 95 33261 1065389 956644 1-1 0.773 45.78 0.9 94 96 74 94 503 9.9 1.087 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1026 Methyl stearate 45.9288 2371.4 8.1 scans 89% TIC 0.023% 1.43% 7122 1.1 801 1918855 93643171 84677129 3-3 0.980 45.92 892.7 80 99 99 99 298 136.4 2.901 0.009 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1071 2381.6 8.1 scans 83% 79 m/z (84) 0.13% 0.417% 7152 1.0 435 332008 27265701 25232159 2-4 20: 79 67 93 95 80 108 81 91 55 41 107 94 77 121 135 78 149 109 122 105 0.979 46.13 -1.6 94 95 95 98 292 33.2 0.584 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN HCMIX_~1-N1022 ?? Henicosane 46.6148 2410.9 8.5 scans 33% 57 m/z (111) 5.0% 0.00907% 7238 1.1 63 9014 592007 565690 1-0 20: 57 43 71 85 97 113 127 55 126 56 155 197 70 211 41 98 94 183 141 152 0.787 46.28 19.2 66 79 76 76 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7600 2419.2 7.9 scans 87% 74 m/z 0.12% 0.237% 7263 0.9 346 371154 15511304 14897224 1-3 20: 74 87 43 143 55 75 298 255 41 57 69 199 83 97 59 129 88 101 267 71 0.969 46.76 924.1 79 99 98 99 298 63.5 3.366 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5003 2461.8 7.8 scans 18% 138 m/z (237) 7.6% 0.00340% 7388 1.1 39 6013 222263 195420 1-4 7: 138 121 120 139 140 65 306 0.653 47.50 949.0 63 94 69 91 168 4.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9277 2544.0 7.6 scans 56% 73 m/z (117) 1.9% 0.0135% 7630 1.2 81 23702 881617 829305 2-4 17: 73 147 221 355 281 430 207 429 341 296 432 148 415 222 149 205 401 0.788 48.95 993.6 70 97 80 98 429 23.6 8.455 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3510 2625.9 7.6 scans 89% TIC 0.17% 0.190% 7871 1.1 310 267751 12400745 11593091 2-5 0.945 50.36 1038.9 77 99 95 99 326 61.5 3.942 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8445 2711.8 8.1 scans 45% 73 m/z 2.4% 0.00957% 8124 1.1 68 18902 624645 562776 2-3 18: 73 147 355 429 281 356 221 222 325 369 505 267 357 430 341 295 279 296 0.658 51.86 1080.9 74 97 65 94 503 11.3 2.803 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2184 774.1 4.9 scans 94% 77 m/z 0.027% 0.354% 56 1.7 442 1816383 14535947 13296028 0-8 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 60 64 74 0.994 4.37 20.1 100 100 99 100 77 375.0 72.019 -0.153 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1016 ?? Pivalic acid 6.1931 825.5 10.7 scans 26% 57 m/z (44) 1.4% 0.0148% 391 0.5 60 34992 608729 550985 1-7 7: 57 59 45 58 87 39 38 0.385 6.03 -136.1 64 97 61 96 102 8.8 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5739 835.4 18.0 scans 79% 207 m/z 0.52% 0.0660% 455 3.0 114 94986 2712296 2581243 1-1 17: 207 208 191 209 177 133 193 147 89 119 179 192 194 115 178 73 104 0.904 6.53 -141.4 80 100 89 100 207 85.7 57.040 0.046 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6778 864.1 8.5 scans 94% 69 m/z 0.13% 0.825% 642 1.5 502 377282 33878143 29190671 2-5 20: 69 41 55 83 39 42 57 98 70 97 56 43 53 80 54 79 40 68 51 38 0.994 7.71 8.8 100 99 99 100 98 104.3 4.317 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 12.8178 998.0 8.3 scans 27% 99 m/z (60) 0.62% 0.0599% 1512 1.7 132 80205 2462636 2074506 2-5 5: 99 191 72 252 100 0.456 12.22 51.7 77 94 6 97 281 79.3 0.000 0.598 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2174 1008.7 9.5 scans 85% 81 m/z (93) 0.18% 0.238% 1581 1.6 251 278334 9789866 8877911 7-4 20: 81 110 53 39 79 67 68 65 51 82 77 95 50 66 40 54 109 52 91 63 0.983 13.22 45.1 90 96 97 99 110 73.2 8.486 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1040 Decane 13.3355 1011.9 >9 scans 55% TIC 1.3% 0.0204% 1601 1.3 114 38411 837978 793121 0-1 0.957 12.90 11.9 96 97 94 97 142 16.9 2.209 0.438 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1022 ? Octanal 13.4412 1014.8 7.7 scans 56% 84 m/z (98) 4.0% 0.0280% 1619 1.5 100 12330 1153538 1036596 1-4 17: 84 44 41 57 68 82 69 85 56 100 95 39 70 108 54 53 66 0.920 12.96 -160.0 72 94 95 99 110 9.4 0.885 0.486 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.3461 1039.3 8.4 scans 45% 68 m/z (60) 1.8% 0.0564% 1772 1.5 132 27618 2317669 2077955 2-5 14: 68 93 124 67 123 121 92 136 107 91 81 95 94 52 0.630 13.89 64.0 63 72 71 97 136 23.3 3.119 0.454 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5268 1044.2 10.7 scans 45% 108 m/z (83) 2.9% 0.0218% 1802 1.8 75 16724 897520 835623 1-3 9: 108 79 107 77 90 51 91 65 78 0.837 14.11 65.2 83 97 93 99 108 33.7 20.122 0.418 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8550 1053.1 9.8 scans 88% TIC 0.053% 0.539% 1858 1.5 389 942152 22145524 20418590 4-2 0.986 14.44 68.3 89 100 99 100 120 126.1 10.510 0.413 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.3763 1067.2 7.2 scans 28% 83 m/z (82 109) 7.0% 0.0102% 1946 1.4 63 7118 0.0224% 422000 398170 919567 1-0 15: 83 70 55 69 93 41 97 39 68 108 84 67 53 58 78 0.815 18.83 14.5 69 79 71 86 122 3.0 0.000 -3.454 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5374 1071.6 >11 scans 84% 105 m/z 0.12% 0.288% 1973 0.9 298 405670 11837522 11151858 2-0 19: 105 123 77 46 51 50 106 78 74 79 75 52 124 94 40 49 64 80 61 0.982 15.17 74.2 87 100 98 100 123 108.8 13.356 0.367 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN 98-86-2 ? Acetophenone 15.6289 1074.0 9.4 scans 85% TIC 0.041% 0.765% 1989 1.0 516 1204778 0.902% 31411906 28688550 37028997 2-2 0.994 15.29 -171.7 79 98 98 99 120 182.4 12.478 0.336 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 15.7600 1077.6 9.1 scans 40% 95 m/z 0.52% 0.0689% 2011 1.4 153 95590 2829364 2448836 1-5 14: 95 81 124 79 91 119 53 109 65 120 82 66 92 63 0.737 15.43 75.9 69 79 56 95 124 48.7 10.080 0.327 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.5038 1097.7 8.0 scans 18% 132 m/z (123) 6.4% 0.00529% 2138 1.1 45 7762 217251 200508 1-1 10: 132 117 115 99 92 64 129 50 116 82 0.843 16.25 -176.9 68 94 72 94 132 24.5 30.000 0.250 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1002 Undecane 16.8509 1111.1 8.4 scans 74% 71 m/z (269) 0.71% 0.0884% 2196 1.3 178 70433 0.0933% 3632768 3543670 3830161 4-2 18: 71 57 43 85 41 70 84 55 113 267 127 56 69 42 112 251 99 39 0.944 16.59 11.1 81 87 93 93 156 12.8 0.000 0.264 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0333 1118.9 8.5 scans 59% 57 m/z 0.48% 0.191% 2227 1.2 259 102953 7878324 7124636 5-6 20: 57 41 56 43 55 98 70 44 69 82 68 96 81 95 67 39 42 54 45 114 0.728 16.82 96.5 74 95 72 94 124 18.3 0.000 0.218 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0333 1118.9 8.5 scans 81% 57 m/z (71) 0.36% 0.283% 2227 1.2 302 138497 11633104 10520211 5-6 20: 57 41 56 43 55 98 70 44 69 82 68 96 81 95 67 39 42 54 45 114 0.986 16.82 -172.5 75 97 96 96 124 18.9 0.393 0.218 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.2228 1126.9 8.8 scans 52% 71 m/z 1.0% 0.0457% 2259 1.3 132 46533 0.0487% 1878247 1664155 1999237 1-6 20: 71 95 110 43 126 128 58 41 55 85 39 53 67 84 54 69 57 72 70 42 0.816 16.97 102.2 68 85 87 99 128 30.6 5.390 0.255 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1008 ?? Maltol 17.2228 1126.9 8.8 scans 61% 71 m/z (81) 0.96% 0.0644% 2259 1.3 142 52123 0.0685% 2644279 2342871 2812069 1-6 20: 71 95 110 43 126 128 58 41 55 85 39 53 67 84 54 69 57 72 70 42 0.945 16.96 102.3 67 90 88 90 156 7.0 0.241 0.265 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2482 1170.2 9.6 scans 40% 355 m/z 0.87% 0.0482% 2432 1.5 123 57546 1980019 1857116 2-2 17: 355 267 356 268 357 250 251 193 249 191 253 154 339 341 133 358 270 0.819 18.13 -161.5 78 98 77 98 355 54.8 19.888 0.117 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.3622 1175.0 10.4 scans 55% 144 m/z 0.39% 0.156% 2452 1.0 210 125819 6444631 5606436 4-4 11: 144 43 101 44 72 45 145 115 58 102 281 0.907 18.22 131.5 77 98 86 97 144 96.6 21.051 0.141 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN M4942-N1002 ? Pyranone 18.3622 1175.0 10.4 scans 62% 144 m/z (109) 0.40% 0.196% 2452 1.0 223 124703 8046864 7000281 4-4 11: 144 43 101 44 72 45 145 115 58 102 281 0.978 20.04 -215.5 77 99 97 99 144 96.5 18.780 -1.680 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8864 1197.1 >10 scans 11% 111 m/z (102) 2.5% 0.0441% 2541 0.8 112 19648 1811185 1811185 0-0 8: 111 125 81 123 87 82 99 93 0.856 18.71 146.3 67 92 83 96 153 3.7 0.000 0.180 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1004 ? Octanoic acid 19.2719 1213.4 >8 scans 80% 46 m/z 0.26% 0.312% 2607 0.3 354 186983 12814173 12814173 0-0 7: 46 125 99 129 47 38 103 0.985 19.87 145.1 77 95 91 99 144 0.0 0.000 -0.599 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1266 ? Octanoic acid 19.3043 1214.8 >19 scans 80% 60 m/z (71) 0.21% 0.754% 2612 0.1 372 235218 0.793% 30992406 29404089 32554317 1-3 20: 60 69 85 41 55 73 101 97 87 57 43 115 45 88 39 42 83 98 108 74 0.965 22.03 -94.3 71 90 90 96 175 0.0 0.000 -2.730 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.6172 1228.0 >8 scans 74% TIC 0.47% 0.0715% 2665 3.8 177 106158 0.193% 2937741 2792990 7923056 0-2 0.943 20.03 157.3 73 92 85 96 122 82.3 21.550 -0.412 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4443 1261.4 8.4 scans 91% TIC 0.069% 0.691% 2805 1.0 500 717287 28377479 26431592 2-3 0.971 20.32 3.7 100 99 97 99 170 67.5 1.826 0.124 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6462 1267.5 8.1 scans 66% 57 m/z 0.86% 0.108% 2839 0.9 200 57630 4440667 4025203 3-2 18: 57 41 55 70 82 71 68 44 83 56 112 67 81 69 96 84 42 54 0.869 20.56 188.8 77 100 88 99 128 19.2 0.919 0.083 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1034 ? Decanal 20.6462 1267.5 8.1 scans 76% 57 m/z (123) 0.87% 0.136% 2839 0.9 215 57467 5589188 5066271 3-2 18: 57 41 55 70 82 71 68 44 83 56 112 67 81 69 96 84 42 54 0.933 20.57 -139.5 76 97 98 99 138 12.3 0.000 0.077 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1024 ? Hexadecane 20.8823 1274.6 6.9 scans 66% TIC 0.36% 0.0563% 2879 1.1 193 139129 2312956 2173771 1-0 0.943 33.32 7.6 75 76 85 81 226 0.0 0.000 -12.437 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1184 1281.7 8.9 scans 55% 137 m/z (94) 0.67% 0.129% 2919 0.9 204 73735 5308330 4910473 3-2 11: 137 152 109 123 81 67 107 119 153 110 124 0.928 21.00 196.4 63 86 74 85 155 2.2 0.000 0.117 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2707 1286.2 10.7 scans 24% 281 m/z 1.9% 0.0147% 2944 1.8 62 26323 605239 537514 2-4 15: 281 283 249 282 133 265 267 207 191 223 193 284 250 208 194 0.813 12.25 133.1 75 96 67 95 281 45.1 52.427 9.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1042 ?? Phytol 21.3545 1288.7 >9 scans 19% 85 m/z (97) 5.5% 0.0153% 2959 999.0 72 9076 0.0243% 629598 567026 997566 0-5 11: 85 126 283 68 137 42 112 127 92 54 87 0.461 35.35 -8.7 69 81 31 79 196 0.0 0.000 -13.992 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.1066 1311.3 8.3 scans 90% TIC 0.017% 1.41% 3086 0.8 714 2822347 58198752 53859847 4-2 0.972 22.01 210.9 80 99 98 100 190 191.3 7.179 0.097 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1040 ?? Nonanoic acid 23.3121 1347.5 11.9 scans 53% 73 m/z (175) 0.22% 0.480% 3290 0.3 328 218883 0.529% 19716663 17924951 21716562 3-2 20: 73 60 57 71 43 85 41 129 115 55 98 69 56 70 45 87 84 61 39 99 0.876 22.70 -127.8 69 92 79 96 158 22.7 0.480 0.616 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8865 1364.8 11.2 scans 57% 57 m/z (99) 0.54% 0.129% 3388 0.9 180 91251 5304709 4951636 1-2 18: 57 71 43 85 69 41 55 111 84 70 56 184 42 112 97 127 126 154 0.785 23.86 0.8 83 92 84 90 184 21.3 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1232 1372.7 7.2 scans 35% 73 m/z 0.46% 0.0711% 3428 1.1 172 108139 2920173 2673333 2-8 20: 73 341 429 342 147 343 430 431 325 74 207 326 327 75 251 45 149 311 148 267 0.885 24.17 -151.1 79 99 85 98 429 49.3 8.198 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.5907 1388.3 7.9 scans 88% 71 m/z (87) 0.14% 0.404% 3507 0.9 383 341553 16588000 15087959 1-3 20: 71 57 85 43 41 84 55 70 113 127 99 56 69 155 42 169 126 112 72 86 0.997 24.54 251.0 76 97 98 99 169 32.5 0.719 0.049 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9414 1400.1 >7 scans 32% 169 m/z 1.1% 0.0273% 3565 999.0 132 42734 0.0661% 1122333 1122333 2713544 0-0 8: 169 56 99 116 141 86 69 161 0.885 20.36 -0.1 60 60 72 72 170 7.9 0.360 4.583 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2301 1409.7 9.2 scans 22% 43 m/z (71) 0.46% 0.0512% 3615 0.9 113 107880 2103744 1684013 5-8 15: 43 103 116 126 86 42 127 112 44 212 153 169 156 104 197 0.788 25.24 -150.2 72 96 92 98 145 32.8 8.488 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5217 1419.4 13.2 scans 89% 84 m/z 0.017% 3.07% 3665 0.9 834 2927921 126034986 114319426 2-4 20: 84 133 162 161 42 119 92 118 85 82 130 65 78 134 51 117 91 55 163 63 0.970 25.89 262.4 77 96 91 96 162 217.5 6.796 -0.370 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8275 1429.7 7.7 scans 79% 93 m/z (85) 0.14% 0.335% 3716 0.9 361 349112 13753659 13252768 2-1 20: 93 121 43 136 79 91 77 194 41 81 94 95 123 107 108 67 39 55 137 109 0.916 25.78 274.4 74 97 90 99 194 53.4 2.180 0.050 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1038 1472.3 6.8 scans 13% 221 m/z 4.0% 0.00960% 3933 1.0 66 12331 394201 360636 2-3 18: 221 73 147 189 281 222 267 223 283 282 205 75 148 443 357 191 204 356 0.809 27.12 297.4 61 85 65 84 355 10.8 2.688 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2230 1476.3 8.5 scans 92% 57 m/z 0.025% 2.08% 3953 0.7 855 1930958 85792425 79850782 2-5 20: 57 71 43 85 41 55 56 99 70 84 198 69 42 98 113 112 83 127 126 39 0.988 27.21 0.5 100 99 98 99 198 109.2 1.629 0.014 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0660 1508.0 9.6 scans 33% 118 m/z 1.0% 0.0430% 4096 1.3 117 48605 1766172 1681784 1-4 15: 118 145 105 146 78 131 119 190 77 117 132 175 51 65 103 0.653 27.93 321.3 70 94 72 94 146 52.7 20.234 0.135 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4049 1520.8 8.6 scans 27% 80 m/z 1.0% 0.0210% 4153 1.2 90 48073 865360 816719 3-2 12: 80 171 104 53 172 78 170 168 51 65 59 165 0.714 28.39 327.4 71 95 73 93 171 44.9 24.913 0.016 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6799 1531.1 8.1 scans 80% 43 m/z (85) 0.080% 0.641% 4200 0.8 480 620170 26323544 24555983 4-1 19: 43 69 41 151 107 136 67 125 93 109 53 121 83 81 39 68 108 79 91 0.979 28.67 333.7 77 99 98 99 194 30.4 0.403 0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1085 1547.2 7.7 scans 63% 71 m/z (59) 0.11% 0.558% 4273 1.0 457 426279 0.907% 22945512 21769829 37234257 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 97 84 69 183 42 53 140 127 0.888 29.10 343.3 68 92 92 94 227 8.8 0.037 0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1085 1547.2 7.7 scans 60% 71 m/z (223) 0.12% 0.535% 4273 1.0 447 415855 0.869% 21984788 20858331 35674277 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 97 84 69 183 42 53 140 127 0.714 29.09 343.5 71 98 76 95 220 81.7 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5265 1562.9 7.2 scans 45% 73 m/z 0.46% 0.0852% 4343 1.0 190 108133 3498665 3184029 7-4 20: 73 281 147 327 282 341 415 283 503 221 399 328 74 148 504 416 417 329 325 342 0.933 29.61 -150.2 78 98 89 98 503 27.9 2.170 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6741 1568.5 8.7 scans 83% 177 m/z (204) 0.070% 1.01% 4368 0.8 579 713707 41754181 37751306 7-2 16: 177 178 91 159 77 135 105 79 119 149 133 107 85 122 192 131 0.997 29.68 356.0 75 96 93 98 192 51.7 0.798 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7727 1572.2 8.1 scans 52% 123 m/z (85) 0.088% 0.246% 4385 1.0 301 567164 10129578 9543546 0-4 14: 123 135 124 107 91 95 79 109 77 81 93 165 193 147 0.920 29.77 358.2 75 98 91 98 193 25.8 0.735 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1818 1587.6 8.5 scans 72% 57 m/z 0.21% 0.268% 4454 1.1 341 230565 0.552% 11014701 10568124 22660761 1-0 20: 57 85 71 43 41 99 55 84 113 70 127 56 69 98 155 183 83 86 141 42 0.951 30.38 -7.3 81 82 93 85 212 3.6 0.000 -0.195 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2508 1590.2 7.8 scans 58% TIC 0.21% 0.140% 4466 0.9 322 229583 0.352% 5772353 5285310 14450340 0-1 0.979 29.94 373.8 76 95 96 97 254 11.2 0.121 0.310 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5295 1601.3 9.0 scans 90% 191 m/z 0.010% 2.50% 4513 0.7 933 4720155 102797013 96969511 2-3 20: 191 206 57 163 74 175 91 115 41 107 77 207 73 147 88 161 133 117 119 135 0.995 30.50 376.5 81 100 99 100 206 252.8 7.337 0.031 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8406 1614.4 8.5 scans 45% 124 m/z (71) 0.59% 0.0831% 4566 0.9 168 83963 3415186 3169537 3-4 5: 124 137 180 138 152 0.982 30.81 385.0 73 94 86 97 180 44.6 7.020 0.034 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8955 1616.7 8.6 scans 62% TIC 0.37% 0.122% 4575 1.1 259 133872 5039776 4564936 1-1 0.927 30.88 0.7 88 88 75 89 204 57.8 4.966 0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9657 1619.6 7.5 scans 1.1% 221 m/z (71 99) 15% 0.00153% 4587 0.8 24 3153 0.00181% 63193 63193 74304 0-0 2: 221 172 0.152 30.93 1.6 66 86 57 92 171 13.5 30.770 0.039 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2314 1630.8 9.8 scans 67% 111 m/z (71) 0.12% 0.540% 4632 0.7 397 387001 22178604 20221306 2-1 20: 111 109 137 180 67 110 152 124 95 79 81 77 39 93 165 53 91 94 65 112 0.983 31.18 395.8 75 95 95 99 180 86.0 4.697 0.053 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5330 1643.5 9.9 scans 69% 43 m/z (157) 0.26% 0.227% 4683 0.9 264 187276 9351506 8787314 1-1 20: 43 98 111 71 166 55 57 41 151 82 127 68 83 67 69 107 123 39 81 59 0.898 31.52 0.8 93 96 92 97 166 47.7 3.271 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8152 1655.3 8.6 scans 14% 193 m/z (57) 3.3% 0.0156% 4730 1.0 71 14794 643272 571452 4-1 2: 193 194 0.635 31.80 0.8 66 77 35 87 208 11.9 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9232 1659.9 7.8 scans 47% 71 m/z 0.55% 0.0795% 4749 0.7 190 91059 3266488 3106832 2-1 20: 71 57 85 43 55 99 41 113 70 69 127 84 56 155 169 111 112 126 97 141 0.716 31.92 0.2 75 84 55 80 219 3.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0685 1666.0 6.7 scans 4.6% 221 m/z 3.3% 0.00741% 4773 0.9 58 15120 304517 286132 3-1 10: 221 73 207 222 355 296 295 267 209 342 0.635 32.08 -0.4 86 92 55 91 355 11.2 3.673 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2438 1673.3 8.6 scans 69% 149 m/z (259) 0.21% 0.313% 4803 1.2 325 234409 12860402 12221093 1-1 14: 149 57 105 77 100 123 56 137 51 183 150 92 135 106 0.854 32.24 0.2 66 69 60 78 226 10.5 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 12.1 scans 68% 71 m/z (81) 0.39% 0.213% 4836 1.0 237 125775 8751597 8248591 0-2 20: 71 85 43 196 96 149 70 164 168 123 84 127 178 69 97 109 122 83 225 111 0.961 32.44 -0.3 84 87 91 92 226 7.8 0.108 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6942 1692.3 8.7 scans 82% 205 m/z 0.37% 0.558% 4880 0.9 453 133853 22932762 21050268 2-2 20: 205 91 119 105 43 93 159 79 162 107 147 41 77 187 131 106 69 145 146 67 0.949 32.67 0.8 95 95 91 97 220 27.3 0.364 0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8613 1699.3 9.3 scans 39% 70 m/z (104 149) 1.4% 0.135% 4908 1.4 197 35082 5542707 5053027 4-3 5: 70 79 96 94 106 0.833 32.87 -0.2 64 74 66 79 186 3.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN N407_R~1-N1120 ?? Caryophyllene oxide 32.8613 1699.3 9.3 scans 36% 70 m/z (149) 1.5% 0.124% 4908 1.4 190 32534 5129090 4675951 4-3 5: 70 79 96 94 106 0.737 32.87 439.0 61 86 74 87 206 4.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9362 1702.4 7.8 scans 23% 71 m/z (177) 0.47% 0.0478% 4921 0.6 122 104869 1962343 1679983 3-8 9: 71 243 155 173 72 143 167 156 89 0.819 32.93 0.1 92 98 96 98 243 19.9 2.662 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1212 ?? Hexadecene 33.1068 1709.6 19.1 scans 35% TIC 1.9% 0.0259% 4950 0.9 129 26081 0.0418% 1065414 1057467 1715978 3-0 0.708 33.09 0.9 64 68 58 85 224 2.4 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3223 1718.7 7.5 scans 87% 57 m/z 0.062% 0.797% 4986 0.7 572 803898 32756833 29242235 6-2 20: 57 71 43 85 41 55 99 56 70 69 113 84 98 42 226 83 127 112 97 126 0.988 33.37 -2.1 100 100 99 99 226 63.0 1.212 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8359 1727.4 8.2 scans 9.2% 217 m/z 0.83% 0.0208% 5073 1.1 88 60102 855214 779178 3-4 9: 217 232 218 87 189 157 101 128 175 0.744 33.83 452.7 67 91 57 90 232 41.6 22.119 0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8938 1728.2 7.8 scans 51% 71 m/z (233) 0.97% 0.0664% 5083 0.9 164 51486 0.0809% 2727546 2596971 3321115 0-1 16: 71 57 43 85 70 197 99 196 169 56 113 168 127 225 42 210 0.912 33.90 -0.1 91 92 95 99 197 29.7 3.269 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2716 1733.7 8.0 scans 28% 57 m/z (105) 1.6% 0.0299% 5147 1.1 105 30013 1229372 1125311 0-3 18: 57 85 71 43 210 211 182 41 70 168 55 99 98 128 141 183 97 56 0.809 34.27 0.1 89 96 93 95 211 18.0 2.958 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3542 1734.8 7.9 scans 91% 73 m/z 0.043% 1.20% 5161 1.0 683 1152191 49497677 46678841 2-2 20: 73 355 147 221 281 222 74 402 327 415 267 207 148 223 75 325 149 133 416 191 0.985 34.39 451.8 80 100 98 99 415 72.5 1.127 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8902 1742.5 18.7 scans 84% 91 m/z 0.025% 2.79% 5252 0.2 738 1945357 114785963 111542875 0-2 20: 91 155 199 65 90 184 89 92 120 44 137 63 106 77 39 64 51 156 134 200 0.987 34.79 453.5 80 99 97 99 199 210.0 8.089 0.104 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.9215 1742.9 14.3 scans 34% 55 m/z (71 91) 1.1% 0.167% 5257 1.1 188 45289 6882662 6283193 3-1 19: 55 99 123 67 125 56 81 124 84 96 98 177 128 220 165 146 153 202 145 0.901 34.90 0.2 69 65 81 93 224 17.0 0.812 0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6996 1754.1 8.9 scans 18% 123 m/z (43) 1.6% 0.0357% 5389 1.1 106 31202 1468101 1310113 4-2 17: 123 193 195 209 210 224 175 167 166 211 121 165 119 105 194 131 181 0.870 35.70 451.4 66 90 67 89 224 12.6 1.414 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2049 1775.6 8.5 scans 5.6% 224 m/z 2.3% 0.00888% 5644 0.7 59 21038 364577 327977 3-2 6: 224 181 210 225 178 166 0.674 37.20 449.3 68 91 51 89 224 24.6 17.533 0.005 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0544 1787.8 8.7 scans 54% 57 m/z 0.58% 0.0840% 5788 1.0 186 85807 3452151 3248039 1-1 20: 57 71 85 43 56 225 41 99 55 113 69 127 58 141 70 197 226 83 155 42 0.868 38.06 448.1 75 97 86 95 225 32.7 3.075 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5798 1795.3 8.2 scans 76% 73 m/z 0.20% 0.217% 5877 1.1 284 248408 8938010 8390403 2-2 20: 73 147 221 429 355 281 430 207 341 431 356 74 222 357 148 401 282 295 223 325 0.952 38.59 447.2 79 99 94 99 429 72.9 6.565 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8230 1798.8 9.7 scans 66% 57 m/z (127) 0.45% 0.144% 5918 0.7 207 109130 5932884 5336842 2-1 19: 57 71 43 85 41 55 99 56 70 84 113 254 42 83 69 169 72 98 112 0.982 38.91 -1.2 92 95 95 94 254 20.3 0.963 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7546 1904.7 7.6 scans 88% 68 m/z 0.22% 0.523% 6076 1.0 470 222459 21497679 20539131 2-1 20: 68 95 82 57 123 69 43 55 81 83 67 41 71 97 96 109 124 85 111 79 0.981 39.94 535.6 77 98 97 97 278 22.8 0.235 -0.181 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8785 1920.1 7.7 scans 59% 58 m/z (155) 0.93% 0.0947% 6097 1.1 187 53815 3888019 3546136 2-3 9: 58 43 59 109 95 110 124 82 123 0.967 39.88 551.8 74 98 97 98 250 17.8 0.902 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.2983 1972.1 8.0 scans 51% 149 m/z 0.22% 0.0700% 6168 1.1 164 219909 2873891 2758273 1-3 16: 149 150 223 104 76 167 65 205 93 121 50 224 132 105 122 77 0.873 40.31 597.2 79 99 87 99 223 36.5 4.948 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6046 2010.1 6.5 scans 20% 147 m/z (91) 5.3% 0.00777% 6220 0.7 57 9353 319174 284742 3-1 10: 147 222 281 207 295 223 148 296 267 297 0.788 40.63 630.0 71 97 79 95 369 9.6 2.870 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1254 ? Phytol 40.8479 2040.3 10.0 scans 42% 57 m/z (183) 3.0% 0.0436% 6261 1.8 108 16220 1790179 1638158 1-2 20: 57 71 85 43 83 68 123 69 97 79 55 41 99 72 84 169 96 113 127 67 0.748 40.87 -2.4 72 86 59 84 278 10.5 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BQLD_R~1-N1056 ?? Homosalate 40.9889 2057.7 8.3 scans 12% 138 m/z 3.7% 0.00888% 6285 0.9 59 13201 364718 331615 4-2 10: 138 120 109 121 124 209 65 262 93 193 0.517 41.00 671.9 65 96 52 93 262 10.2 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2369 2088.5 8.6 scans 13% 67 m/z 5.4% 0.00764% 6327 1.0 63 9261 313727 284349 2-2 17: 67 79 83 55 69 93 70 80 41 97 108 94 78 95 81 91 111 0.333 41.26 -2.5 70 79 39 75 264 5.6 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5326 2121.8 14.1 scans 94% 205 m/z 0.058% 3.55% 6377 0.3 908 861524 145800624 142006758 1-1 20: 205 217 175 220 177 55 232 91 41 261 192 109 135 105 115 206 149 133 190 178 0.991 41.49 -74.8 87 100 98 100 276 59.7 0.433 0.043 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8266 2138.3 7.7 scans 56% 71 m/z (217) 1.7% 0.0541% 6427 0.9 144 27915 2221517 2005607 1-1 20: 71 57 43 85 84 55 69 97 99 70 125 41 56 83 126 111 169 113 81 107 0.950 41.48 19.3 67 72 84 77 268 0.0 0.000 0.344 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9960 2147.8 8.1 scans 85% 74 m/z 0.089% 0.531% 6456 0.8 454 559732 21836890 20747343 2-2 20: 74 87 43 143 55 75 41 227 57 270 69 59 129 83 239 97 185 88 101 199 0.943 42.01 745.8 80 99 95 99 272 10.9 0.058 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3461 2167.5 7.4 scans 31% 73 m/z 1.8% 0.0173% 6515 1.1 85 27324 713601 650179 2-8 18: 73 147 221 281 355 429 341 282 503 222 148 415 342 430 74 283 325 504 0.767 42.37 758.5 75 98 75 96 503 12.4 2.111 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3101 2221.6 12.3 scans 51% 263 m/z 0.47% 0.0964% 6678 1.4 153 106019 3960350 3787092 2-1 20: 263 57 219 147 278 203 110 129 159 264 279 161 128 91 265 143 133 55 131 145 0.705 43.31 0.2 78 79 38 78 278 45.2 8.757 0.003 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1020 ? Icosane 43.8402 2251.3 8.8 scans 51% 71 m/z (205) 2.3% 0.0323% 6768 1.3 102 21308 1329608 1200406 2-2 19: 71 57 85 43 99 69 127 41 113 169 126 70 83 84 86 56 211 97 154 0.901 43.94 -5.4 77 91 89 88 282 5.3 0.000 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2842 2276.7 7.2 scans 15% 221 m/z 9.9% 0.00276% 6843 1.0 34 5053 113426 97947 7-6 6: 221 147 295 222 369 296 0.626 44.32 829.4 65 95 57 90 369 7.4 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7936 2363.6 7.8 scans 27% 147 m/z 3.2% 0.0101% 7099 0.8 65 15539 414931 377462 3-0 14: 147 96 145 207 267 222 74 429 415 356 357 327 112 58 0.745 45.78 1.0 86 88 67 86 503 5.8 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9070 2370.1 7.8 scans 67% 74 m/z 0.47% 0.0932% 7118 1.1 191 106207 3827937 3594661 1-6 13: 74 87 43 143 75 255 298 199 88 101 129 59 213 0.885 45.92 891.4 78 98 87 97 298 31.5 2.724 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0859 2380.4 8.4 scans 54% 95 m/z (74) 2.1% 0.0409% 7149 1.6 114 22978 1679373 1499405 1-6 19: 95 80 108 77 121 107 122 149 292 78 136 109 65 66 105 53 92 106 147 0.896 46.13 -2.8 88 95 84 93 292 9.2 0.000 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN HCMIX_~1-N1022 ? Henicosane 46.1732 2385.4 13.3 scans 22% 57 m/z (74) 6.1% 0.0121% 7163 0.6 49 8127 497602 460676 1-2 9: 57 71 43 127 86 99 155 154 56 0.729 46.28 -6.3 77 86 55 80 296 4.2 0.000 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7511 2418.7 7.9 scans 57% 74 m/z (169) 1.7% 0.0265% 7261 1.2 98 28181 1090118 1012495 3-3 11: 74 87 75 143 298 255 213 129 199 88 299 0.904 46.76 923.6 74 98 88 96 298 18.5 3.555 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9271 2544.0 7.8 scans 40% 73 m/z 4.3% 0.00668% 7629 1.2 51 11587 274577 242944 2-6 20: 73 147 355 429 74 341 281 430 148 431 71 295 222 356 282 267 223 357 149 133 0.614 48.95 993.6 74 98 59 95 429 14.7 8.469 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3486 2625.7 8.1 scans 38% 74 m/z 5.0% 0.00610% 7871 1.1 48 9919 250788 226448 2-5 15: 74 87 43 143 326 69 71 83 283 97 227 88 75 101 59 0.554 50.36 1038.7 68 93 53 89 326 11.4 5.554 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\BRA4_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 51.8445 2711.8 8.7 scans 41% 147 m/z 5.1% 0.00655% 8124 0.9 48 9749 269116 243931 2-3 13: 147 355 281 430 295 341 208 357 356 221 148 503 149 0.632 45.81 1235.3 70 95 64 92 503 6.8 2.058 6.033 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0867 770.6 7.1 scans 70% 77 m/z 0.078% 0.160% 34 3.9 227 516794 6853496 5996005 1-4 17: 77 45 78 79 76 62 59 75 63 47 46 61 92 64 93 80 58 0.996 4.37 16.6 100 99 99 99 77 194.4 73.552 -0.284 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1758 825.0 10.2 scans 64% 57 m/z (56) 0.90% 0.0222% 388 0.3 79 44704 0.0471% 949865 907308 2006325 1-0 13: 57 41 87 39 45 59 69 58 70 83 102 95 42 0.932 6.03 -136.6 73 98 92 98 102 9.7 1.492 0.143 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5897 835.8 15.7 scans 61% 207 m/z 0.40% 0.0607% 458 2.9 109 99748 2587758 2343483 2-1 20: 207 208 209 192 133 97 193 177 165 147 115 163 211 176 89 104 103 194 117 134 0.783 6.53 -141.0 80 100 82 99 207 85.4 61.674 0.062 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6888 864.4 8.7 scans 80% 69 m/z 1.2% 0.0666% 644 2.6 139 33280 2838395 2698925 2-1 18: 69 41 55 83 42 57 39 98 70 97 56 43 53 80 79 54 38 68 0.922 7.71 9.1 99 99 92 98 98 31.6 5.200 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2574 983.4 >7 scans 17% 208 m/z (134) 0.72% 0.0319% 1416 999.0 103 56378 0.107% 1363008 1095506 4557893 0-4 9: 208 125 284 267 203 252 179 178 89 0.227 12.22 37.1 90 97 82 99 281 64.2 38.783 0.037 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6777 994.3 10.0 scans 86% TIC 0.21% 0.122% 1489 1.6 197 192702 0.158% 5235706 5035155 6730347 3-0 0.960 13.22 30.7 94 96 92 98 110 58.3 8.754 -0.544 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1040 ?? Decane 12.8182 998.0 7.0 scans 3.9% 57 m/z 15% 0.000631% 1512 1.0 19 2601 26891 20401 10-1 4: 57 85 43 71 0.631 12.90 -2.0 65 74 40 72 142 4.6 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1022 ? Octanal 12.9328 1001.0 7.8 scans 68% TIC 1.4% 0.0437% 1532 1.4 138 27208 1862436 1754381 1-8 0.882 12.96 -173.8 77 99 89 98 110 15.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1016 ? Limonene 13.9086 1027.4 8.8 scans 44% TIC 0.64% 0.0646% 1698 1.5 147 63440 2756005 2473927 1-3 0.569 13.89 52.1 77 98 67 96 136 32.0 4.768 0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1087 1032.9 10.7 scans 92% 79 m/z 0.033% 1.72% 1732 1.1 649 1228356 73353838 65931386 2-4 20: 79 108 107 77 51 91 78 50 80 90 89 65 39 109 63 53 52 74 105 62 0.997 14.11 53.9 92 100 100 100 108 286.5 19.467 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4540 1042.2 9.0 scans 88% 91 m/z 0.076% 0.264% 1790 1.3 284 534437 11259560 10133547 2-4 19: 91 92 120 65 63 39 51 50 62 121 90 64 93 89 74 66 61 38 52 0.983 14.44 57.4 91 100 98 100 120 91.2 10.289 0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1772 1061.8 11.3 scans 86% 105 m/z 0.090% 0.421% 1913 2.3 302 447665 17934052 16660112 2-1 19: 105 77 123 51 46 50 106 78 74 124 75 52 79 94 73 64 53 49 38 0.970 15.17 64.4 89 99 97 99 123 107.5 12.696 0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN 98-86-2 ? Acetophenone 15.2598 1064.0 >12 scans 64% 105 m/z 0.30% 0.0966% 1927 2.0 167 132511 0.311% 4116542 3851074 13247709 0-2 19: 105 77 121 43 107 106 51 50 108 78 96 74 75 62 46 76 125 140 89 0.943 15.29 -181.7 77 96 92 99 120 47.7 8.148 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4334 1068.7 8.9 scans 72% 95 m/z 0.10% 0.331% 1956 1.6 325 405526 14130012 13254663 1-3 19: 95 81 124 43 79 53 109 39 41 82 65 96 66 51 67 77 80 50 63 0.906 15.43 67.0 88 100 92 100 124 98.0 9.087 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2185 1090.0 9.4 scans 5.4% 132 m/z (193) 6.6% 0.00554% 2089 1.4 40 6089 236111 218341 1-1 7: 132 117 115 131 106 92 116 0.703 16.25 -184.6 69 98 76 97 132 21.1 27.249 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1002 Undecane 16.6123 1101.1 8.3 scans 59% 57 m/z 0.87% 0.0503% 2156 1.1 138 46458 2145212 1934788 2-1 20: 57 71 43 41 85 56 55 111 70 283 126 69 268 39 42 98 82 84 99 83 0.804 16.59 1.1 88 96 88 95 156 16.3 1.400 0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1016 Nonanal 16.7847 1108.3 8.2 scans 88% 57 m/z (91) 0.11% 0.640% 2185 1.0 452 345226 27291156 24239396 5-4 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 67 96 42 39 71 54 45 0.984 16.82 85.9 80 98 98 100 124 29.0 0.412 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9682 1116.1 8.9 scans 89% TIC 0.10% 0.369% 2216 1.1 366 379133 0.652% 15734006 14973084 27773332 1-0 0.981 16.97 91.4 82 99 97 100 128 86.8 5.616 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0515 1119.6 9.7 scans 76% 91 m/z 0.083% 0.316% 2230 1.6 297 489723 13493057 12290344 8-3 19: 91 92 122 65 51 77 63 93 89 78 103 104 123 50 52 62 74 64 90 0.967 17.05 93.6 82 100 99 100 122 101.2 11.564 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1012 ? Nicotine 17.6412 1144.5 23.2 scans 2.0% TIC 20% 0.000368% 2330 2.6 12 1966 15676 15676 0-0 0.062 25.78 -10.8 74 100 100 100 162 0.0 0.000 -8.137 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0722 1162.7 8.3 scans 76% 73 m/z 0.25% 0.122% 2403 1.5 205 158438 5226168 4810677 2-3 20: 73 355 267 356 268 269 251 74 193 249 323 339 250 179 75 59 45 162 270 263 0.915 18.13 -169.0 80 99 89 99 355 86.7 17.867 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1018 Contamination 12.25min 18.3325 1173.7 7.6 scans 10% 281 m/z (125) 5.6% 0.00369% 2447 1.6 36 7156 157317 146337 2-2 9: 281 282 265 193 75 191 103 267 249 0.531 12.25 20.6 82 92 35 92 281 22.9 39.952 6.082 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7056 1189.5 8.5 scans 73% 98 m/z 0.67% 0.105% 2510 1.2 199 60168 4497406 4201543 1-1 20: 98 55 69 82 111 43 41 67 125 70 39 97 83 95 107 53 81 71 100 91 0.926 18.71 138.7 79 100 94 99 153 8.5 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8284 1194.7 8.9 scans 65% 70 m/z 0.90% 0.0879% 2531 1.0 174 44851 3745415 3390354 1-3 20: 70 55 83 41 43 57 69 84 39 96 56 81 67 42 97 93 54 72 68 98 0.857 18.83 142.0 77 100 93 100 122 13.0 0.556 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1194 1207.0 8.3 scans 51% 82 m/z 0.82% 0.0284% 2580 1.3 102 49423 1210294 1045326 1-9 9: 82 81 43 39 54 83 53 88 38 0.934 19.12 149.9 79 99 91 98 97 16.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2522 1212.6 10.0 scans 10% 119 m/z (56) 4.0% 0.00635% 2603 1.1 41 10095 270837 235269 3-1 4: 119 91 134 120 0.686 13.76 13.1 72 79 61 78 134 16.7 16.290 5.495 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8136 1236.3 11.1 scans 26% 57 m/z 0.15% 0.235% 2698 1.3 253 267321 10052824 9316879 3-4 16: 57 45 75 87 89 72 101 59 85 60 73 132 62 61 46 131 0.811 19.81 168.8 79 100 81 99 144 6.2 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 20.0285 1245.4 3.2 scans 4.9% 122 m/z (60) 0.97% 0.0129% 2734 2.6 103 41680 552608 517620 4-6 3: 122 105 77 0.904 20.03 174.7 76 100 98 100 122 51.9 25.276 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 9.1 scans 43% 57 m/z (103) 0.83% 0.0503% 2783 1.3 123 48747 2144011 1963679 2-3 8: 57 71 85 170 112 72 127 171 0.949 20.32 -0.2 90 94 92 95 170 16.0 1.687 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1034 ? Decanal 20.5333 1264.1 8.0 scans 81% 57 m/z 0.21% 0.372% 2820 1.0 375 188545 15856844 14426698 4-3 19: 57 41 55 43 82 70 71 68 83 44 56 67 112 81 69 96 84 42 39 0.954 20.57 -142.9 78 97 98 98 138 19.7 0.277 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1066 b-Cyclocitral 21.0014 1278.1 9.1 scans 90% TIC 0.12% 0.654% 2899 0.9 471 316991 27889065 26019228 2-2 0.985 21.00 192.8 81 100 99 100 155 0.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1042 Phytol 21.2782 1286.5 8.1 scans 58% 57 m/z (137) 1.3% 0.0551% 2946 1.0 139 29923 2349700 2204362 1-2 13: 57 56 70 41 55 71 85 95 126 67 96 72 98 0.946 35.35 -10.9 80 85 84 85 196 0.0 0.000 -14.069 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1004 Blank_Nonanal 21.2782 1286.5 9.1 scans 57% TIC 1.2% 0.0439% 2946 1.0 137 32433 0.0574% 1873417 1704814 2445076 0-2 0.795 16.82 -4.9 80 84 76 83 124 11.7 0.727 4.463 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4441 1291.4 7.1 scans 17% 281 m/z 4.5% 0.00510% 2974 1.1 47 8929 217599 200989 2-2 13: 281 147 73 369 282 283 249 265 370 207 371 148 191 0.723 21.56 -147.3 74 98 69 96 369 13.1 7.894 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 21.9624 1307.0 >8 scans 20% 85 m/z (175) 4.6% 0.00646% 3062 0.7 56 8795 0.0141% 275251 275251 600620 0-0 11: 85 137 99 127 84 98 113 141 110 112 57 0.748 33.32 40.0 68 84 82 87 226 0.0 0.000 -11.357 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0085 1308.4 8.0 scans 31% 175 m/z (138) 0.38% 0.0441% 3070 1.0 125 106439 1882751 1751479 3-3 14: 175 190 176 119 147 80 115 117 191 128 129 131 159 132 0.874 22.01 208.0 77 100 87 99 190 35.9 8.168 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9022 1335.2 8.7 scans 56% 69 m/z (85) 0.13% 0.376% 3221 1.5 324 295736 16031501 14252008 5-2 9: 69 43 109 86 110 128 67 95 127 0.945 22.91 221.6 74 97 95 98 127 40.0 1.526 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 22.9932 1337.9 >21 scans 64% 60 m/z (127) 0.24% 0.398% 3237 0.2 256 165468 16985187 15524992 1-6 15: 60 73 115 129 98 45 87 61 101 74 96 59 130 54 158 0.967 22.70 -137.4 70 90 87 94 158 19.2 0.563 0.297 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8308 1363.1 9.8 scans 33% 57 m/z (72) 0.75% 0.0496% 3379 1.0 114 53708 2114391 1963675 1-2 10: 57 85 71 56 84 42 70 98 86 157 0.792 23.86 -0.9 82 90 69 88 184 15.5 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0882 1371.6 7.4 scans 71% 73 m/z 0.10% 0.348% 3422 1.0 374 382863 14833295 13668394 6-5 18: 73 341 429 342 325 147 430 431 82 74 55 326 68 207 56 44 45 327 0.868 24.17 -152.2 78 98 73 99 429 97.5 6.785 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5434 1386.8 7.5 scans 67% 71 m/z 0.42% 0.0774% 3499 1.1 181 95383 3299300 3046162 1-4 18: 71 57 85 43 41 70 84 113 127 99 56 155 42 72 126 112 86 58 0.892 24.54 249.5 78 99 89 97 169 20.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1856 1408.2 7.9 scans 39% 43 m/z 0.38% 0.0347% 3608 1.0 115 105743 1479882 1317319 6-3 15: 43 103 145 116 115 86 146 44 151 74 61 73 87 158 88 0.902 25.24 -151.7 78 100 94 99 145 40.7 12.634 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.3805 1414.7 8.9 scans 78% 84 m/z (153) 0.15% 0.174% 3641 1.8 230 261324 7422313 7068539 1-3 19: 84 133 162 161 42 85 92 118 117 51 65 78 134 82 39 63 104 52 44 0.977 25.89 257.7 72 93 89 94 162 58.9 6.546 -0.512 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1080 ? Solanone 25.7766 1428.0 7.4 scans 63% 93 m/z 0.31% 0.0935% 3708 1.0 202 130254 3983658 3627484 10-1 17: 93 43 121 136 79 91 71 77 194 41 94 81 108 123 107 137 39 0.851 25.78 272.7 79 100 86 99 194 30.6 2.310 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4785 1451.4 8.0 scans 43% 189 m/z (73) 2.6% 0.0261% 3827 1.0 97 15537 1113206 1018207 1-2 15: 189 204 69 91 148 105 120 107 205 171 153 160 154 190 129 0.819 45.98 -28.3 61 66 49 70 204 31.1 10.383 -19.497 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5145 1452.6 7.9 scans 11% 73 m/z (68) 4.1% 0.00550% 3833 1.3 43 9820 234482 217953 3-0 15: 73 267 355 207 251 99 163 268 357 356 75 281 193 89 253 0.594 18.09 411.0 60 93 64 95 355 18.7 18.472 8.422 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1030 1472.3 6.7 scans 12% 221 m/z 0.97% 0.0294% 3933 0.9 114 41748 1256113 1196470 2-1 16: 221 73 147 281 267 355 223 282 148 222 356 443 191 268 269 357 0.875 27.12 297.4 75 97 81 96 355 21.8 3.658 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1703 1474.5 8.3 scans 63% 57 m/z 0.19% 0.126% 3944 1.1 245 210309 0.241% 5390269 4990330 10265910 1-0 20: 57 71 85 43 41 56 99 55 70 198 98 42 127 113 84 112 168 126 69 72 0.939 27.21 -1.3 93 94 88 93 198 31.7 1.671 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN GLAU_R~1-N1082 ? Tetradecane 4-methyl 27.8368 1499.4 8.4 scans 60% 71 m/z (118 98) 0.53% 0.163% 4057 1.3 225 75965 6971666 6327362 2-3 19: 71 57 43 85 70 41 55 91 168 169 79 99 56 81 133 113 39 67 109 0.813 27.84 314.1 70 92 95 99 212 8.2 0.132 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1032 ? Myosmine 28.0434 1507.2 14.5 scans 18% 118 m/z 1.3% 0.0264% 4092 1.4 77 30647 1127127 1064426 2-3 14: 118 146 143 134 116 145 104 52 132 51 119 90 106 64 0.499 27.93 320.5 70 94 62 92 146 40.8 28.213 0.112 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6574 1530.3 7.9 scans 82% 43 m/z (139) 0.057% 0.669% 4196 0.9 489 711328 0.700% 28531714 26124230 29817995 3-10 19: 43 69 41 151 136 107 67 93 125 109 83 53 121 39 81 68 108 91 77 0.966 28.67 332.9 77 99 97 99 194 28.3 0.336 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0930 1546.6 7.5 scans 79% 71 m/z 0.096% 0.489% 4270 1.1 452 419345 0.599% 20853937 18761441 25515684 2-0 20: 71 57 43 85 41 70 55 113 56 177 141 99 112 84 220 69 97 183 42 135 0.956 29.09 342.9 77 98 94 98 220 51.9 1.320 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5122 1562.4 8.5 scans 93% TIC 0.012% 4.79% 4341 0.7 1297 3375539 204232739 183327924 3-2 0.993 29.61 -150.7 80 99 97 99 503 217.2 2.809 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7631 1571.8 8.0 scans 84% 123 m/z 0.018% 0.930% 4383 0.9 589 2149025 39625859 35959278 1-4 18: 123 43 135 124 107 95 91 79 109 41 77 39 81 93 53 67 97 105 0.984 29.77 357.8 79 98 97 99 193 46.7 0.629 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9413 1578.5 9.3 scans 71% TIC 0.095% 0.484% 4414 1.0 384 427211 20625163 18096496 2-2 0.868 29.94 362.1 76 98 85 96 254 9.5 0.061 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1680 1587.0 7.9 scans 59% 57 m/z (153) 0.37% 0.139% 4452 1.2 224 109623 0.214% 5925843 5694127 9115787 1-0 19: 57 85 71 43 41 99 55 113 70 127 56 98 155 69 39 72 86 83 42 0.922 30.38 -7.9 81 84 94 86 212 2.9 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4957 1599.9 7.9 scans 88% 191 m/z 0.019% 0.944% 4507 0.9 601 2136476 40250575 38116515 2-2 20: 191 206 192 57 163 74 91 175 41 115 73 107 88 77 207 128 147 161 133 105 0.989 30.50 375.1 81 100 98 100 206 158.9 6.983 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8186 1613.5 8.3 scans 29% 124 m/z (59) 1.1% 0.0350% 4562 1.2 110 35336 1492138 1349211 2-3 6: 124 137 180 138 181 216 0.668 30.81 384.1 69 93 87 96 180 29.1 6.975 0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8664 1615.5 9.6 scans 46% 162 m/z (59) 0.46% 0.0979% 4570 1.2 170 86770 4171523 3877524 2-2 15: 162 147 161 105 163 77 148 145 131 51 65 103 115 62 89 0.881 30.88 -0.5 87 89 73 91 204 20.8 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2200 1630.3 11.2 scans 86% TIC 0.037% 1.46% 4630 0.6 633 1087031 62345731 55628708 3-2 0.966 31.18 395.3 77 97 95 98 180 135.2 4.560 0.042 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5110 1642.6 8.8 scans 75% 43 m/z (165) 0.24% 0.177% 4679 1.0 238 169071 7557551 6986268 2-1 19: 43 98 111 166 55 85 71 41 127 151 82 83 68 67 39 69 123 59 81 0.976 31.52 -0.1 95 97 97 98 166 43.4 3.320 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7844 1654.0 9.1 scans 16% 193 m/z (43) 1.2% 0.0169% 4726 1.0 73 33820 722994 664524 2-2 7: 193 197 151 194 208 152 196 0.713 31.80 -0.5 67 76 39 79 208 17.5 5.765 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9154 1659.5 8.3 scans 57% 71 m/z (138) 0.98% 0.0804% 4748 0.6 161 41176 3427818 3403163 1-0 20: 71 83 57 85 82 43 55 41 69 99 70 84 113 56 111 67 97 58 183 112 0.931 31.92 -0.2 80 87 90 91 219 6.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0500 1665.2 6.6 scans 41% 221 m/z 0.38% 0.0738% 4771 0.9 182 104686 3144388 2950001 2-1 20: 221 73 147 207 222 295 341 356 355 223 281 296 74 325 148 342 208 297 343 267 0.814 32.08 -1.2 95 97 90 97 355 30.6 2.809 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2301 1672.8 8.4 scans 47% 57 m/z 0.46% 0.0709% 4801 1.6 162 87817 3022262 2886787 1-1 20: 57 43 71 85 41 149 56 99 105 113 55 183 70 42 77 182 69 100 127 83 0.738 32.24 -0.3 88 91 71 89 226 7.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4396 1681.6 9.8 scans 45% 57 m/z (73) 0.69% 0.0959% 4837 0.7 159 58778 0.113% 4088507 3591347 4813476 2-2 20: 57 85 56 41 197 55 70 99 157 113 111 127 141 69 169 196 198 58 93 83 0.820 32.44 -0.1 83 91 87 91 226 5.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6663 1691.1 8.6 scans 74% 205 m/z (73) 1.1% 0.170% 4875 1.1 240 36268 7262019 6922520 1-2 20: 205 91 119 43 105 162 93 107 79 159 147 41 145 77 106 187 121 81 131 146 0.958 32.67 -0.4 94 96 93 99 220 13.3 0.309 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8599 1699.2 7.6 scans 25% 70 m/z (149) 0.98% 0.0412% 4908 1.6 114 41206 1757820 1479136 11-2 3: 70 201 221 0.738 32.87 -0.3 65 76 68 80 186 2.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9284 1702.1 8.1 scans 52% 71 m/z 0.12% 0.108% 4920 0.9 201 313702 4603236 4156095 4-3 12: 71 43 111 159 56 243 155 72 173 143 89 73 0.897 32.93 -0.2 96 98 95 97 243 31.7 2.478 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0843 1708.7 7.2 scans 41% 83 m/z (216) 2.9% 0.0302% 4946 1.0 109 13709 1287969 1147283 1-1 20: 83 97 56 55 57 69 70 43 41 84 71 85 67 125 112 98 126 96 42 39 0.915 33.09 -0.0 90 95 96 97 224 4.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3039 1717.9 7.5 scans 73% 57 m/z (109) 0.27% 0.142% 4983 0.8 227 145412 6072296 5591809 3-1 16: 57 71 43 85 41 55 56 99 70 113 42 84 98 112 72 39 0.960 33.37 -2.9 89 93 95 98 226 23.5 1.066 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8918 1728.2 7.5 scans 38% 71 m/z (144) 1.3% 0.0359% 5083 0.9 112 29130 1530286 1283161 9-1 11: 71 57 43 85 70 197 196 99 56 113 42 0.831 33.90 -0.1 89 99 93 97 197 20.5 3.343 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2696 1733.6 6.9 scans 20% 57 m/z (99) 1.7% 0.0137% 5147 0.9 77 23349 586989 586989 0-0 16: 57 71 85 210 211 41 98 183 43 182 159 93 123 127 141 113 0.839 34.27 0.0 80 87 70 86 211 15.8 4.224 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3889 1735.3 14.4 scans 97% 221 m/z 0.0079% 8.45% 5167 0.2 1573 5142686 11.2% 359996564 346654129 477087914 2-0 20: 221 147 281 222 327 148 282 45 324 205 191 265 457 313 87 251 224 163 179 266 0.995 34.39 452.3 81 100 99 100 415 184.2 1.374 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5489 1737.6 9.0 scans 18% 123 m/z (127) 5.1% 0.0170% 5194 1.1 76 7883 725502 717825 1-0 10: 123 163 67 86 82 125 138 197 68 135 0.719 34.61 451.3 60 91 73 93 6 0.0 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8045 1741.3 14.6 scans 91% 91 m/z 0.023% 2.13% 5237 0.3 677 1758403 90828807 88111260 1-1 20: 91 155 199 90 65 184 92 44 89 120 63 137 39 106 77 64 156 51 200 134 0.988 34.79 452.3 81 100 98 100 199 184.7 7.439 0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8978 1742.6 7.7 scans 24% 68 m/z (70) 1.4% 0.0321% 5253 1.5 108 28001 1367843 1260911 2-4 2: 68 224 0.873 34.90 -0.1 84 92 85 92 224 15.0 1.930 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6929 1754.0 9.2 scans 33% 123 m/z (85) 0.83% 0.0547% 5388 1.1 126 48965 2331006 1994818 5-4 15: 123 193 209 195 210 124 224 181 165 167 211 179 194 148 131 0.888 35.70 451.3 71 97 85 96 224 16.2 1.666 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9267 1757.3 9.9 scans 41% TIC 0.34% 0.0812% 5427 1.2 196 116381 0.108% 3462267 3148992 4600491 2-0 0.624 35.94 450.9 72 96 56 94 238 2.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4940 1765.4 6.8 scans 32% 73 m/z 0.32% 0.111% 5523 1.1 219 124362 4767883 4419532 2-4 20: 73 221 147 295 207 222 281 369 223 296 341 148 74 208 297 282 355 327 370 209 0.919 36.58 448.9 77 99 92 99 369 32.4 2.187 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.3 scans 25% 209 m/z (57) 1.1% 0.0267% 5642 1.1 97 34711 1141148 1070589 2-1 17: 209 224 181 210 165 167 105 178 225 166 239 211 89 103 194 179 193 0.787 37.20 449.2 73 98 85 99 224 31.0 10.202 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3004 1777.0 8.8 scans 54% 71 m/z (199) 0.83% 0.0769% 5660 1.2 154 48540 0.112% 3279364 2891163 4770879 1-5 20: 71 57 85 43 99 113 84 69 127 55 41 169 70 141 155 111 56 126 112 86 0.966 38.91 -23.0 78 83 93 82 254 0.0 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3825 1778.2 9.0 scans 38% 191 m/z (199) 2.9% 0.0422% 5674 1.2 114 13830 1797904 1621796 2-3 13: 191 121 95 109 107 105 192 93 149 133 177 103 193 0.906 34.14 499.0 62 86 77 85 220 21.6 3.556 3.246 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0560 1787.8 8.6 scans 53% TIC 0.65% 0.0440% 5788 0.9 147 61651 1877773 1711461 1-2 0.855 38.06 448.1 75 98 85 95 225 26.8 3.327 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5596 1795.0 9.3 scans 81% 73 m/z 0.019% 4.74% 5873 1.0 1232 2121594 202193277 190659687 2-3 20: 73 147 221 355 430 281 341 431 207 356 401 222 148 295 267 282 223 432 459 283 0.844 38.59 446.9 80 99 79 100 429 393.9 10.232 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8034 1910.8 9.8 scans 96% 68 m/z 0.019% 6.12% 6084 0.4 1386 2133778 260848631 246974909 2-2 20: 68 95 82 123 69 57 81 55 83 43 67 97 71 41 96 109 124 79 85 56 0.999 39.94 541.7 80 99 100 99 278 73.7 0.283 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8961 1922.3 7.0 scans 71% 58 m/z (221) 0.50% 0.122% 6100 1.0 221 80276 5197852 4797729 0-3 12: 58 43 71 59 85 109 41 95 110 124 250 210 0.971 39.88 554.0 76 99 98 99 250 20.9 0.894 0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.1983 1959.7 8.1 scans 34% 159 m/z (99) 3.3% 0.0198% 6151 0.9 83 12180 847297 775295 3-2 15: 159 119 105 161 91 120 132 146 93 145 160 117 122 107 162 0.805 39.14 603.0 71 97 81 95 272 8.9 0.000 1.057 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2025 1960.2 >8 scans 35% TIC 3.3% 0.00838% 6152 0.9 84 11988 357123 331288 1-0 0.753 40.24 586.3 74 96 71 94 272 9.1 1.174 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3105 1973.6 7.0 scans 58% TIC 0.17% 0.0415% 6170 1.0 170 238363 1769116 1710573 3-0 0.938 40.31 598.7 78 98 92 98 223 35.2 4.295 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1110 Phytol 40.3878 1983.2 7.6 scans 46% TIC 0.85% 0.0371% 6183 1.1 168 47341 0.105% 1580817 1580817 4472699 0-0 0.754 40.66 -34.0 85 92 68 90 278 20.7 1.515 -0.274 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6092 2010.7 7.4 scans 67% 221 m/z (69) 0.43% 0.0938% 6221 1.0 192 94231 3999028 3737606 2-2 20: 221 73 147 295 281 207 222 223 369 296 283 282 148 297 74 355 208 370 341 267 0.939 40.63 630.6 76 97 98 100 369 29.0 2.283 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1254 Phytol 40.8418 2039.5 7.5 scans 72% 82 m/z (119) 1.1% 0.0797% 6260 1.4 174 34484 3397765 3134766 2-2 15: 82 81 95 68 55 67 96 41 124 278 94 53 137 86 80 0.966 40.87 -3.2 96 99 97 99 278 20.2 1.352 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BQLD_R~1-N1056 ? Homosalate 40.9959 2058.6 8.4 scans 27% 138 m/z 2.4% 0.0149% 6286 0.9 80 16526 636669 581330 3-0 15: 138 120 109 125 69 262 124 121 139 92 82 65 67 93 68 0.711 41.00 672.8 73 97 73 95 262 10.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1144 ? Sclareoloxide 41.1016 2071.7 9.5 scans 53% 109 m/z (70) 1.4% 0.0864% 6304 1.0 163 27319 3680946 3490229 1-1 16: 109 81 95 262 43 123 177 121 107 93 137 135 133 91 136 244 0.863 41.13 683.9 75 99 85 98 262 30.0 3.368 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2397 2088.8 8.1 scans 78% 79 m/z (191) 0.45% 0.174% 6328 1.1 247 88438 7427444 6895261 2-2 20: 79 67 93 95 80 55 91 41 108 81 77 94 107 59 87 78 135 105 122 66 0.968 41.26 -2.2 96 99 97 99 264 16.4 0.441 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4534 2115.3 8.5 scans 90% 205 m/z 0.14% 0.736% 6364 0.6 513 275040 31366770 29853393 2-1 20: 205 57 217 175 189 177 220 55 41 91 261 191 203 77 109 192 206 161 163 105 0.967 41.49 -81.3 85 100 97 100 276 32.3 0.397 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5602 2123.3 17.1 scans 54% TIC 1.0% 0.0487% 6382 1.2 157 38846 0.0803% 2077857 1985409 3420550 1-0 0.867 41.76 725.6 76 97 82 96 272 40.6 6.681 -0.201 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 41.7332 2133.0 7.7 scans 17% 272 m/z (58) 8.7% 0.00841% 6411 1.2 56 4664 358641 339162 0-5 8: 272 189 148 187 161 202 273 190 0.610 41.87 733.6 69 96 62 93 272 14.9 7.066 -0.137 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8330 2138.6 8.2 scans 41% 57 m/z (74) 2.4% 0.0260% 6428 1.0 95 16793 1109188 1032700 1-1 19: 57 71 125 69 84 43 85 79 126 55 97 70 83 82 41 182 107 123 99 0.891 41.48 19.6 61 70 79 76 268 2.5 0.000 0.350 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9965 2147.8 7.9 scans 84% TIC 0.072% 0.476% 6456 1.0 428 558626 20299381 18517074 2-5 0.933 42.01 745.8 79 99 95 99 272 12.3 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.1688 2157.5 7.8 scans 27% 97 m/z (113) 4.7% 0.0106% 6485 1.0 63 8627 454781 434412 0-1 19: 97 137 55 107 57 257 133 41 95 79 109 120 135 67 121 94 53 80 253 0.693 42.05 6.9 66 73 49 76 272 5.1 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3300 2166.5 8.5 scans 89% 73 m/z 0.065% 0.621% 6512 1.1 465 624391 26453770 24915646 2-3 20: 73 147 281 221 355 207 341 503 282 74 148 222 283 504 356 430 415 295 357 505 0.974 42.37 757.5 75 93 96 99 503 70.8 2.312 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.6529 2184.7 11.6 scans 36% 159 m/z (149) 5.7% 0.0347% 6567 1.1 93 7087 1478655 1351894 1-1 20: 159 81 255 41 229 43 93 70 55 121 103 118 227 270 115 147 80 169 65 69 0.718 42.40 14.3 65 76 64 74 272 4.1 0.000 0.254 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2905 2220.5 10.6 scans 20% 128 m/z (219) 8.8% 0.00898% 6675 0.9 48 4610 382735 333459 2-3 17: 128 278 141 133 263 79 105 161 149 157 77 91 93 92 185 134 129 0.521 43.31 -0.9 83 93 49 89 278 11.3 5.631 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BQLD_R~1-N1054 ?? Manool 45.1577 2327.0 8.5 scans 66% 137 m/z (136) 0.90% 0.147% 6992 1.3 209 44711 6274195 5729564 2-4 19: 137 81 95 69 93 257 55 71 107 123 109 79 41 67 121 91 80 105 94 0.913 45.16 863.3 68 92 78 91 272 16.1 0.595 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1589 2327.1 8.7 scans 75% TIC 0.91% 0.163% 6991 1.6 224 44691 6975254 6322691 2-2 0.846 44.90 14.9 82 83 71 82 272 16.3 0.531 0.258 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.5361 2348.8 20.4 scans 9.1% TIC 11% 0.00233% 7055 0.7 30 3521 0.00299% 99459 89981 127365 0-4 0.190 45.56 -1.6 70 82 16 77 290 0.0 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7911 2363.5 7.9 scans 73% 73 m/z 0.34% 0.107% 7098 1.2 199 118908 4561940 4287845 2-3 20: 73 355 147 221 281 356 207 357 282 222 429 74 341 148 283 415 358 267 430 205 0.905 45.78 0.9 98 98 88 98 503 17.1 0.739 0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1228 ?? C18:2-butanoate 45.9700 2373.7 8.0 scans 68% 67 m/z (138) 1.3% 0.0637% 7129 1.1 152 29883 2715852 2530250 2-1 20: 67 81 95 55 82 68 96 54 150 79 69 41 109 110 74 80 59 294 83 136 0.871 46.00 -1.9 69 76 62 74 294 15.2 1.002 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.0999 2381.2 8.2 scans 76% 79 m/z (270) 0.86% 0.0929% 7151 1.0 176 46900 3960222 3580256 2-6 20: 79 67 95 93 80 108 81 55 41 91 107 94 121 87 77 69 136 135 59 78 0.940 46.13 -2.0 93 97 94 97 292 11.7 0.443 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1150 ?? UNK 46.46min 46.4021 2398.6 11.2 scans 48% 69 m/z (177) 3.3% 0.0242% 7202 1.2 78 12226 1033854 951019 1-3 18: 69 71 109 137 217 95 68 107 81 123 175 125 43 70 147 39 235 41 0.801 46.47 909.3 67 94 81 96 235 9.5 1.484 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.4021 2398.6 11.2 scans 31% 69 m/z (53) 6.6% 0.0159% 7202 1.2 63 6160 678415 624058 1-3 18: 69 71 109 137 217 95 68 107 81 123 175 125 43 70 147 39 235 41 0.566 46.86 -26.3 61 75 39 72 290 2.2 0.000 -0.457 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4311 2400.3 9.1 scans 20% 177 m/z (82) 10% 0.00343% 7207 2.5 43 3988 0.00602% 146238 135011 256435 0-2 2: 177 290 0.688 46.49 -3.7 73 80 45 76 290 6.8 2.459 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7622 2419.3 7.5 scans 46% 74 m/z (133) 2.2% 0.0144% 7263 1.0 73 17795 616299 550439 5-3 11: 74 87 298 143 75 101 255 213 199 299 88 0.833 46.76 924.2 72 97 82 95 298 12.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4388 2515.9 8.7 scans 26% 148 m/z (97) 6.8% 0.00345% 7547 1.0 34 5922 147152 133693 3-2 3: 148 95 123 0.559 48.48 977.7 64 91 53 87 286 5.2 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9411 2544.8 7.6 scans 74% 73 m/z 0.66% 0.0506% 7632 1.0 138 61013 2158475 1973458 2-5 19: 73 147 221 355 429 281 430 356 207 431 222 148 357 74 341 283 296 223 205 0.848 48.95 994.4 73 96 89 99 429 35.9 6.731 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8515 2712.2 8.3 scans 62% 73 m/z 1.2% 0.0273% 8125 1.4 98 33168 1165395 1088243 3-3 20: 73 147 221 429 357 281 207 503 222 341 356 431 279 148 74 325 504 401 342 149 0.764 51.86 1081.3 77 99 77 97 503 14.2 2.098 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1139 771.4 5.2 scans 86% 77 m/z (83) 0.063% 0.125% 38 3.8 271 780916 0.127% 8077909 7401120 8175944 1-5 14: 77 45 78 79 62 76 59 75 63 47 61 46 92 64 0.991 4.37 17.4 99 100 99 100 77 231.2 72.592 -0.257 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1281 823.8 11.9 scans 30% 57 m/z (56) 1.5% 0.0121% 380 0.7 61 32638 781844 706044 1-5 5: 57 102 69 53 68 0.747 6.03 -137.8 65 98 79 95 102 8.7 0.000 0.095 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5154 833.9 16.3 scans 59% 207 m/z 0.53% 0.0380% 445 3.1 102 92569 2446420 2325076 1-1 19: 207 208 191 192 133 193 210 161 163 147 209 165 73 117 119 177 135 75 134 0.665 6.53 -142.9 78 100 82 99 207 79.6 61.058 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6288 862.9 8.6 scans 68% 69 m/z 2.1% 0.0273% 634 2.6 107 23117 1758240 1603711 2-2 19: 69 41 55 83 39 42 57 97 70 53 43 80 54 56 79 50 81 68 65 0.801 7.71 7.6 98 99 84 98 98 28.8 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2056 982.0 9.3 scans 45% 281 m/z 0.40% 0.0478% 1409 2.0 135 122962 3079939 2764401 2-3 20: 281 43 282 283 99 108 41 191 249 265 193 69 55 133 207 68 284 111 73 251 0.552 12.22 35.7 93 100 79 99 281 91.7 46.437 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1022 ? Octanal 12.9128 1000.5 7.7 scans 63% 57 m/z (59) 3.1% 0.0238% 1529 1.3 107 15716 1538298 1351505 2-5 17: 57 43 41 84 56 55 44 69 82 68 42 67 39 85 81 53 71 0.949 12.96 -174.3 74 97 93 99 110 11.1 1.093 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2180 1008.7 10.2 scans 87% TIC 0.14% 0.166% 1581 1.9 248 352325 10740651 9606055 2-3 0.966 13.22 45.1 92 98 97 98 110 68.2 7.555 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1016 Limonene 13.8910 1027.0 8.8 scans 53% TIC 1.9% 0.0237% 1695 1.2 113 25688 1527632 1404882 2-0 0.705 13.89 51.7 83 97 84 96 136 20.7 3.324 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0769 1032.0 10.6 scans 90% 79 m/z 0.11% 0.399% 1726 1.6 377 445574 25695349 23289699 2-3 20: 79 108 107 77 51 91 78 50 80 89 90 63 65 109 39 52 53 74 105 62 0.989 14.11 53.0 93 100 99 100 108 167.2 19.712 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4329 1041.6 9.1 scans 87% 91 m/z 0.11% 0.137% 1786 1.4 245 427695 8875409 8224931 1-5 19: 91 92 120 65 63 89 39 51 50 121 62 90 64 93 61 66 38 74 122 0.970 14.44 56.8 91 100 97 100 120 79.3 10.486 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 14.9990 1057.0 8.1 scans 39% 70 m/z (82) 5.7% 0.00792% 1882 1.7 61 8747 0.00884% 510314 436179 569097 2-2 12: 70 83 55 57 69 67 39 84 53 97 58 56 0.887 18.83 4.3 73 78 73 81 122 1.9 0.000 -3.831 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1620 1061.4 >11 scans 83% 105 m/z 0.22% 0.104% 1910 0.9 212 225822 6758540 6155427 2-1 20: 105 77 123 51 46 94 124 106 109 50 78 74 76 75 79 52 73 37 104 63 0.954 15.17 64.0 87 98 95 98 123 73.5 12.028 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN 98-86-2 ? Acetophenone 15.2558 1063.9 9.1 scans 78% 105 m/z 0.10% 0.186% 1926 1.2 304 479517 11994764 10826872 1-3 20: 105 77 120 51 106 50 78 43 74 121 76 63 75 62 65 52 39 91 49 107 0.981 15.29 -181.8 79 98 97 99 120 108.2 12.681 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4199 1068.4 8.7 scans 68% 95 m/z 0.15% 0.168% 1954 1.4 280 324730 10849608 9665974 2-5 18: 95 81 124 79 43 53 109 39 41 82 65 96 66 67 51 80 63 52 0.892 15.43 66.7 87 99 90 99 124 85.9 9.416 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1002 Undecane 16.5971 1100.4 8.4 scans 39% 57 m/z 3.3% 0.00812% 2153 1.2 70 14746 523091 487503 1-1 12: 57 43 41 156 85 55 70 95 113 107 99 98 0.698 16.59 0.4 84 91 76 89 156 8.8 1.584 0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7724 1107.8 8.3 scans 83% 57 m/z (123) 0.33% 0.186% 2183 1.0 283 148414 11982708 10390096 4-5 19: 57 41 56 55 43 98 70 44 69 82 68 95 67 96 39 42 71 54 45 0.979 16.82 85.4 79 97 96 97 124 15.5 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9572 1115.6 8.6 scans 73% 71 m/z 0.21% 0.146% 2214 1.3 264 226830 9456390 8556711 2-4 18: 71 95 43 110 58 128 41 85 55 84 57 69 72 70 56 42 113 67 0.958 16.97 90.9 81 99 95 99 128 66.3 6.336 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0451 1119.4 9.9 scans 79% 91 m/z 0.095% 0.231% 2229 1.6 297 519975 14890688 13194137 9-4 19: 91 92 122 65 77 63 51 93 89 78 39 103 123 104 50 62 64 52 74 0.971 17.05 93.4 82 100 99 100 122 101.3 11.632 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0605 1162.2 7.8 scans 85% TIC 0.19% 0.135% 2401 1.4 267 257670 8745265 8045218 3-2 0.949 18.13 -169.5 80 100 92 99 355 113.2 18.034 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN M4942-N1002 ?? Pyranone 18.5156 1181.5 13.8 scans 33% 101 m/z (71) 3.7% 0.00815% 2478 0.0 62 13363 0.0137% 524976 480078 881972 3-0 7: 101 72 45 54 73 112 137 0.871 20.04 -209.0 68 94 78 94 144 28.1 20.210 -1.526 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6980 1189.2 8.6 scans 59% 98 m/z (281) 1.4% 0.0495% 2509 1.3 151 35587 3191110 3002212 1-1 20: 98 55 69 82 111 43 41 112 70 44 42 125 39 57 67 97 107 81 95 83 0.813 18.71 138.4 76 99 98 99 153 5.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1125 1206.7 8.4 scans 49% 82 m/z 1.4% 0.0113% 2579 1.4 81 34615 731275 667786 1-3 10: 82 81 43 39 54 53 83 41 38 52 0.852 19.12 149.6 76 100 88 99 97 13.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2423 1212.2 9.3 scans 17% 119 m/z (56) 4.3% 0.00454% 2601 1.1 45 11404 292881 276893 3-0 5: 119 91 134 120 89 0.775 13.76 12.7 74 80 66 80 134 17.8 15.952 5.485 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1012 ?? Nicotine 19.5788 1226.4 12.6 scans 5.9% 133 m/z 7.9% 0.00103% 2658 1.1 21 6297 66502 62220 2-0 2: 133 135 0.265 25.78 71.1 64 100 100 100 162 0.0 0.000 -6.199 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8031 1235.9 10.5 scans 12% 57 m/z 0.53% 0.0417% 2696 1.5 133 93852 2684651 2409612 2-4 13: 57 45 75 89 72 85 60 59 61 62 132 131 90 0.724 19.81 168.4 72 95 67 93 144 2.1 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 20.1697 1251.4 >16 scans 14% TIC 0.71% 0.0424% 2758 1.6 202 69418 2731096 2623932 1-0 0.596 22.03 -57.7 79 94 82 97 175 0.0 0.000 -1.864 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.1857 1252.0 >16 scans 17% 70 m/z (99) 0.36% 0.172% 2761 0.9 218 138225 11109946 10803345 1-0 20: 70 83 55 35 116 41 129 74 59 39 114 49 33 125 43 44 36 40 98 62 0.628 16.82 -39.4 60 73 64 73 124 2.4 0.000 3.371 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1004 ?? Octanoic acid 20.1857 1252.0 >16 scans 15% 70 m/z 0.55% 0.0429% 2761 0.9 208 89324 2767619 2691241 1-0 20: 70 83 55 35 116 41 129 74 59 39 114 49 33 125 43 44 36 40 98 62 0.567 19.87 183.7 66 88 49 90 144 4.4 0.000 0.315 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 20.3947 1259.9 4.3 scans 13% 105 m/z 0.35% 0.0304% 2796 2.9 176 138613 0.0312% 1962022 1934213 2008578 0-5 11: 105 122 77 106 123 76 74 75 94 104 124 0.974 20.03 189.2 75 95 93 95 122 89.6 25.976 0.366 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1034 ? Decanal 20.5375 1264.2 8.2 scans 83% 57 m/z 0.31% 0.223% 2821 1.0 342 159480 14357173 13124362 1-3 20: 57 41 55 43 82 70 71 68 83 44 67 81 56 112 69 96 95 84 39 42 0.971 20.57 -142.8 73 91 94 98 138 18.2 0.284 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 20.7176 1269.6 6.4 scans 32% 281 m/z 1.3% 0.00778% 2851 1.2 69 35679 500986 452860 2-2 17: 281 282 283 193 249 265 177 207 297 267 266 251 191 205 134 268 194 0.815 12.25 116.5 73 94 68 96 281 49.4 51.878 8.467 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.0045 1278.2 10.7 scans 73% TIC 0.35% 0.224% 2900 1.2 312 140587 14445704 13384141 1-1 0.893 21.00 192.9 79 99 86 99 155 0.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.1432 1282.4 12.8 scans 65% 94 m/z 0.076% 0.281% 2923 0.8 328 650637 18125223 16614365 1-2 20: 94 138 77 95 66 51 65 39 107 79 139 45 55 78 50 96 40 76 63 38 0.934 20.98 197.4 77 97 92 98 152 0.0 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4437 1291.4 6.1 scans 10% 147 m/z (95) 8.8% 0.00214% 2974 0.9 39 5655 0.00256% 137983 137983 164806 0-0 5: 147 148 283 369 370 0.658 21.56 -147.3 68 95 58 96 369 9.8 6.275 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0086 1308.4 7.7 scans 26% 175 m/z (138) 0.92% 0.0153% 3069 1.3 89 53996 989177 915521 2-3 6: 175 176 191 190 159 131 0.719 22.01 208.0 73 97 78 98 190 24.3 7.497 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9101 1335.4 9.2 scans 60% 69 m/z (85) 0.18% 0.248% 3223 1.1 314 273063 15981843 13982279 5-4 14: 69 43 109 86 110 56 128 67 127 95 111 58 82 44 0.976 22.91 221.8 71 93 92 97 127 37.9 1.453 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.1822 1343.6 >20 scans 79% 73 m/z 0.20% 0.432% 3269 0.1 327 248111 27875378 24637640 1-13 20: 73 60 57 129 41 115 55 98 43 69 87 61 42 101 39 56 70 83 84 97 0.972 22.70 -131.7 77 96 95 99 158 23.2 0.501 0.486 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.1822 1343.6 >20 scans 81% 73 m/z (166) 0.20% 0.491% 3269 0.1 331 243039 31611963 27940219 1-13 20: 73 60 57 129 41 115 55 98 43 69 87 61 42 101 39 56 70 83 84 97 0.969 25.35 194.4 75 95 94 99 162 0.0 0.000 -2.172 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1006 ? Tridecane 23.6905 1358.9 6.6 scans 22% TIC 3.0% 0.00156% 3355 0.9 60 16095 100693 95875 1-0 0.626 23.86 -5.1 73 78 60 76 184 0.0 0.000 -0.172 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0813 1371.3 7.4 scans 66% 73 m/z 0.056% 0.479% 3421 0.9 527 876978 30896259 28909756 2-3 20: 73 341 429 342 325 147 343 430 431 74 207 327 148 75 251 311 191 59 193 267 0.960 24.17 -152.5 80 100 95 99 429 158.3 9.025 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7035 1392.1 8.2 scans 62% 43 m/z (84) 0.96% 0.0401% 3526 1.1 137 51468 2587903 2286288 1-3 20: 43 83 58 82 55 41 142 56 127 113 85 69 70 111 39 71 67 68 93 128 0.947 24.70 252.5 69 91 88 98 170 4.6 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1032 ?? Dodecane 24.8611 1397.4 12.3 scans 51% 71 m/z (87) 1.9% 0.0267% 3553 1.9 99 25943 1722165 1634012 1-1 15: 71 57 85 43 127 84 70 113 99 41 126 155 56 42 72 0.876 20.36 -2.8 62 67 78 78 170 4.0 0.000 4.503 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.8611 1397.4 12.3 scans 46% 71 m/z (178) 1.8% 0.0242% 3553 1.9 94 26913 1562937 1482935 1-1 15: 71 57 85 43 127 84 70 113 99 41 126 155 56 42 72 0.936 24.54 260.1 72 97 93 96 169 9.4 0.987 0.319 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1988 1408.7 7.8 scans 67% 43 m/z 0.18% 0.0669% 3610 0.9 189 272718 4310238 3900794 7-7 15: 43 145 103 116 115 86 73 74 61 44 117 104 146 144 158 0.968 25.24 -151.2 78 98 96 100 145 69.4 13.427 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.3859 1414.9 8.7 scans 80% 84 m/z 0.083% 0.231% 3642 1.5 333 594678 14876627 13825548 1-4 20: 84 133 162 161 42 119 92 118 85 130 65 78 82 134 51 117 39 63 54 159 0.932 25.89 257.9 75 95 85 95 162 87.6 6.933 -0.506 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1699 1474.5 7.1 scans 58% 57 m/z (163) 0.28% 0.0772% 3944 1.0 228 177853 0.147% 4971293 4708545 9463494 1-0 20: 57 71 43 85 41 198 55 99 56 70 98 112 113 42 69 127 141 126 84 72 0.982 27.21 -1.3 94 96 93 96 198 30.1 1.743 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8370 1499.4 7.7 scans 39% 71 m/z (121) 0.64% 0.0658% 4057 1.5 179 77531 4238875 3953552 1-3 14: 71 57 43 85 70 169 99 56 113 140 127 133 72 197 0.850 27.84 314.1 61 92 77 91 212 8.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1032 ?? Myosmine 27.9426 1503.4 20.3 scans 19% 118 m/z (71) 2.3% 0.0245% 4075 2.6 79 21449 0.0248% 1578964 1510053 1596562 5-0 12: 118 146 145 119 183 186 62 189 108 78 104 138 0.675 27.93 316.7 67 94 72 96 146 34.5 19.205 0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6575 1530.3 8.0 scans 69% 43 m/z (166) 0.11% 0.295% 4196 0.9 357 417949 19041331 15635295 4-11 15: 43 69 41 151 136 107 125 67 93 109 53 121 39 108 68 0.956 28.67 332.9 76 99 96 99 194 23.9 0.448 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0926 1546.6 7.6 scans 67% 71 m/z 0.18% 0.181% 4270 1.1 342 264151 0.271% 11699053 11364931 17446305 1-0 20: 71 57 43 85 177 41 70 141 55 113 56 112 220 99 84 183 135 97 149 69 0.899 29.09 342.9 76 98 89 96 220 46.6 1.856 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5082 1562.2 7.6 scans 81% 73 m/z 0.044% 0.789% 4340 1.0 658 1114656 50814296 48111399 3-2 20: 73 281 147 327 282 341 503 283 399 221 328 148 74 325 342 417 505 207 149 383 0.984 29.61 -150.9 80 99 97 99 503 110.7 2.833 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7656 1571.9 7.9 scans 74% 123 m/z 0.027% 0.471% 4384 0.9 501 1811752 30379839 27629827 1-4 18: 123 43 135 124 107 91 95 79 109 77 39 93 67 81 53 105 97 125 0.920 29.77 357.9 79 99 91 99 193 42.9 0.733 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9427 1578.6 8.6 scans 52% 71 m/z 0.10% 0.323% 4414 0.8 393 454285 20795514 19104194 1-4 19: 71 85 57 43 99 113 41 69 127 55 155 70 56 83 169 86 126 112 42 0.931 29.94 362.2 72 94 91 93 254 11.4 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1688 1587.1 7.6 scans 42% 57 m/z 0.36% 0.0713% 4452 1.1 225 136865 0.109% 4591486 4478331 7017148 1-0 20: 57 71 85 43 41 99 55 113 127 56 70 155 69 183 112 141 42 140 169 83 0.854 30.38 -7.8 80 84 83 83 212 0.0 0.000 -0.208 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5265 1601.2 8.3 scans 87% 191 m/z 0.016% 0.914% 4513 0.8 686 2982482 58876834 55145662 2-2 20: 191 206 192 57 163 175 115 91 41 107 207 73 77 88 147 128 161 133 117 121 0.993 30.50 376.4 80 100 99 100 206 184.0 7.202 0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8252 1613.7 8.8 scans 19% 124 m/z (207) 1.3% 0.0176% 4563 1.0 90 36354 1134147 1037510 3-2 5: 124 137 180 138 168 0.903 30.81 384.3 64 88 73 88 180 28.2 9.863 0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8854 1616.3 9.3 scans 31% TIC 0.86% 0.0177% 4573 1.0 133 57452 1142250 1089906 0-1 0.672 30.88 0.3 87 90 62 90 204 23.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2313 1630.8 11.9 scans 80% TIC 0.053% 0.862% 4632 0.6 568 938936 1.09% 55527165 52662524 70171484 2-0 0.954 31.18 395.8 78 98 93 98 180 125.2 4.856 0.053 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5153 1642.7 10.3 scans 59% 43 m/z (94) 0.60% 0.0787% 4680 1.2 177 82079 5069800 4847252 1-1 20: 43 85 98 55 127 111 41 167 99 151 82 69 83 107 67 68 70 84 183 56 0.953 31.52 0.0 86 89 88 92 166 26.3 2.188 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8004 1654.7 9.0 scans 12% 193 m/z (84) 1.4% 0.0112% 4728 0.8 70 34863 721342 673802 2-1 5: 193 194 151 175 170 0.646 31.80 0.2 62 72 32 75 208 16.2 5.383 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9161 1659.6 8.0 scans 49% 71 m/z (109) 0.89% 0.0719% 4748 0.5 175 55856 4629768 4120934 1-2 17: 71 57 83 85 55 69 41 99 183 70 155 127 111 112 97 141 126 0.930 31.92 -0.1 79 85 92 88 219 3.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0496 1665.2 6.6 scans 16% 221 m/z 0.99% 0.0211% 4771 1.1 117 50303 1359477 1263507 2-1 9: 221 73 147 295 222 207 341 355 281 0.382 32.08 -1.2 87 95 77 96 355 21.0 3.241 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1718 1670.3 >9 scans 54% TIC 0.92% 0.0434% 4791 0.9 194 53966 0.106% 2796288 2662897 6824016 1-0 0.820 32.20 420.0 71 93 75 92 206 30.4 2.454 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2331 1672.9 8.9 scans 56% 57 m/z (84 157) 0.36% 0.125% 4802 1.4 221 137595 8110246 7306640 6-1 12: 57 71 85 183 99 56 113 70 182 42 199 141 0.884 32.24 -0.2 82 94 88 95 226 10.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 >11 scans 62% TIC 0.48% 0.0702% 4836 1.1 208 102767 0.136% 4523948 4351269 8755341 0-1 0.840 32.44 -0.3 80 85 81 85 226 6.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6777 1691.6 9.0 scans 66% 205 m/z (171) 1.1% 0.134% 4877 1.0 247 41616 8637498 8087873 2-7 20: 205 105 119 93 43 107 159 79 162 77 147 187 146 91 123 131 81 121 106 145 0.939 32.67 0.1 94 96 91 99 220 14.3 0.337 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8642 1699.4 7.4 scans 17% 70 m/z (149) 0.93% 0.0310% 4909 1.4 126 53599 2001837 1838869 1-3 2: 70 202 0.784 32.87 -0.1 69 78 75 85 186 2.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9280 1702.1 8.0 scans 46% 71 m/z (149) 0.15% 0.0954% 4919 0.9 208 319333 6142410 5265021 3-9 10: 71 43 159 243 155 72 173 143 89 73 0.969 32.93 -0.2 94 96 93 100 243 32.8 2.482 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0844 1708.7 7.4 scans 35% 97 m/z (179) 2.9% 0.0251% 4946 1.0 116 16741 1619080 1455510 1-1 20: 97 83 55 57 70 43 56 69 41 84 71 85 98 54 82 126 112 67 96 125 0.930 33.09 -0.0 88 90 94 96 224 6.9 0.357 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3064 1718.0 7.4 scans 74% 57 m/z (121) 0.20% 0.159% 4984 0.9 290 242995 10272898 9238656 4-2 19: 57 71 43 85 41 55 99 56 70 113 69 84 42 226 98 112 126 83 58 0.989 33.37 -2.8 96 98 99 99 226 31.9 1.212 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.0998 1731.2 8.8 scans 59% 109 m/z (168) 0.43% 0.172% 5118 1.0 276 115698 0.206% 11127470 10117100 13261767 9-0 19: 109 95 77 121 191 107 182 91 135 119 93 220 81 137 79 97 189 192 123 0.873 34.14 452.0 76 98 91 98 220 40.8 2.185 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2674 1733.6 8.0 scans 18% 57 m/z (162) 1.8% 0.0141% 5146 1.0 86 26670 912886 837574 0-1 15: 57 71 85 43 210 41 128 183 169 70 154 196 141 97 184 0.845 34.27 -0.0 85 95 87 93 211 16.5 3.683 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3849 1735.3 17.6 scans 76% 355 m/z 0.0097% 5.56% 5166 0.7 1335 5126601 6.87% 358134003 342683916 442273483 2-0 20: 355 356 221 281 401 357 282 266 399 326 339 325 328 191 460 268 383 311 329 249 0.880 34.39 452.3 80 99 81 99 415 181.5 1.851 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5537 1737.7 8.4 scans 32% 123 m/z (154) 2.5% 0.0395% 5195 0.9 138 19819 2547781 2361824 1-2 10: 123 163 196 67 125 82 122 139 138 124 0.868 34.61 451.4 69 91 90 97 6 0.0 0.000 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9599 1743.5 >21 scans 89% 91 m/z 0.015% 3.29% 5264 0.1 899 3166087 212379802 200607339 1-1 20: 91 155 199 90 65 184 120 92 89 44 63 106 39 137 77 64 156 51 200 109 0.956 34.79 454.5 80 100 98 99 199 256.2 8.113 0.174 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1086 1745.6 >21 scans 29% TIC 0.72% 0.00998% 5289 0.7 142 68939 0.0727% 642632 642632 4680245 0-0 0.729 33.90 17.3 76 89 68 85 197 27.3 0.000 1.213 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6340 1753.1 8.0 scans 27% 71 m/z (325 211) 1.2% 0.0403% 5378 1.1 154 38639 0.0682% 2598998 2598998 4390546 0-0 20: 71 97 83 191 69 81 137 177 95 67 109 153 55 72 136 82 57 209 41 43 0.918 35.70 450.4 62 91 83 90 224 9.1 0.350 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7167 1754.3 8.7 scans 42% 123 m/z (211) 0.29% 0.0906% 5392 1.0 204 169417 5837533 5315308 8-2 11: 123 193 124 105 125 175 77 131 194 149 133 0.931 35.70 451.6 69 94 83 93 224 14.1 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4564 1764.9 6.8 scans 29% 221 m/z 0.72% 0.0339% 5517 1.1 148 68413 2182632 2032563 1-1 20: 221 73 147 295 207 222 281 369 296 208 223 341 148 297 282 355 370 371 74 265 0.839 36.58 448.4 76 98 80 96 369 24.8 2.805 -0.123 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.7096 1768.5 >10 scans 33% 179 m/z (74) 1.4% 0.0391% 5560 0.0 130 34311 0.148% 2520502 2520502 9527871 0-0 13: 179 97 151 168 106 43 148 163 201 222 92 81 68 0.915 36.70 450.0 73 97 89 97 220 40.0 9.425 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2061 1775.6 8.3 scans 18% 209 m/z (85) 1.1% 0.0224% 5644 0.9 105 43065 1445621 1341579 3-1 12: 209 224 167 181 210 178 103 166 225 194 165 193 0.820 37.20 449.3 71 95 83 98 224 33.0 9.958 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1142 ?? Widdrol hydroxyether 37.9605 1786.4 9.7 scans 38% 109 m/z (195) 2.4% 0.0499% 5772 0.7 144 20419 3213378 3028774 1-1 19: 109 177 77 192 95 84 81 121 93 238 87 107 123 97 90 161 136 94 135 0.935 37.98 447.8 64 87 78 92 238 20.3 1.993 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 9.0 scans 50% 57 m/z (129) 0.67% 0.0647% 5788 1.1 168 73344 4166984 3778511 1-2 18: 57 71 85 43 56 225 41 99 55 113 157 127 70 196 183 141 72 224 0.932 38.06 448.1 71 97 95 98 225 29.4 3.062 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5615 1795.0 >26 scans 90% TIC 0.015% 10.8% 5874 1.6 1409 3209895 698163186 652310383 2-1 0.993 38.59 446.9 80 99 97 99 429 410.0 8.467 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.5757 1795.2 >26 scans 39% 147 m/z (429) 0.018% 4.85% 5875 1.5 928 2767708 312870190 302259332 2-0 20: 147 221 148 223 222 548 133 205 131 209 268 282 149 191 325 145 330 189 414 388 0.798 32.10 546.4 63 90 63 86 355 205.6 0.000 6.474 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1016 Octadecane 38.8348 1798.9 10.3 scans 34% 57 m/z 0.68% 0.0380% 5920 1.0 142 73139 2451600 2298298 1-0 18: 57 71 85 43 41 99 55 113 111 97 254 98 154 182 69 42 58 255 0.788 38.91 -1.1 81 85 68 82 254 15.6 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4535 1867.4 7.6 scans 39% 74 m/z (123) 1.0% 0.0297% 6024 1.0 125 45390 1916547 1774987 3-2 13: 74 87 143 75 229 213 228 129 60 101 211 256 88 0.856 39.45 505.9 66 92 86 99 256 16.9 1.841 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1018 ? Neophytadiene 39.7711 1906.8 7.6 scans 89% 68 m/z 0.12% 0.584% 6079 0.8 582 403720 37629299 35527654 2-1 20: 68 95 82 57 69 123 55 43 81 83 67 41 71 97 96 109 111 56 79 70 0.991 39.94 537.7 79 98 98 98 278 28.9 0.246 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8921 1921.8 7.7 scans 62% 58 m/z 0.49% 0.0868% 6099 1.1 234 101512 5591834 5192686 2-3 14: 58 43 71 59 55 95 109 110 124 83 123 56 82 96 0.925 39.88 553.5 75 96 92 95 250 23.2 0.985 0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.2032 1960.3 7.7 scans 11% 159 m/z (85) 8.1% 0.00504% 6151 0.9 51 6142 324957 322287 1-0 15: 159 161 146 121 132 163 160 134 120 93 237 117 429 103 89 0.688 39.14 603.6 61 92 64 89 272 6.5 0.000 1.062 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3159 1974.3 8.4 scans 78% TIC 0.049% 0.212% 6171 1.0 349 1009749 0.318% 13654902 12263134 20472048 9-0 0.969 40.31 599.4 79 99 97 98 223 71.2 4.159 0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N406_R~1-N1110 Phytol 40.3897 1983.5 7.9 scans 53% 81 m/z (237) 0.60% 0.114% 6183 1.4 228 81833 7402514 6391631 10-3 12: 81 82 95 123 68 79 67 96 109 124 110 278 0.900 40.66 -33.7 87 95 85 94 278 26.5 1.347 -0.272 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5232 2000.0 >10 scans 23% TIC 2.0% 0.0101% 6206 1.4 94 24639 654537 645998 0-1 0.603 40.63 619.9 71 95 86 98 369 14.3 2.286 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1254 ? Phytol 40.8543 2041.1 8.0 scans 67% 81 m/z (221) 0.78% 0.108% 6262 1.5 222 63682 6990532 6503796 2-1 15: 81 82 95 123 68 79 67 73 96 109 278 124 429 53 147 0.781 40.87 -1.6 74 80 76 92 278 20.3 0.839 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0007 2059.2 8.3 scans 36% 138 m/z 0.75% 0.0434% 6287 0.8 161 66072 2795637 2617094 2-1 16: 138 109 120 69 121 124 149 193 65 95 139 82 104 262 93 76 0.745 41.00 673.4 75 99 86 98 262 21.7 1.830 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2516 2090.3 8.1 scans 88% 79 m/z (191) 0.10% 0.596% 6330 0.9 550 474977 38376482 36843864 1-2 20: 79 67 93 95 80 91 55 108 81 121 41 77 94 107 135 87 59 78 105 122 0.997 41.26 -0.7 96 97 98 100 264 37.2 0.457 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1146 ?? Methyl-b-ionone 41.2746 2093.2 8.5 scans 4.6% 191 m/z (264) 0.45% 0.0207% 6333 1.1 100 109559 1336840 1268003 3-2 8: 191 192 174 173 229 188 187 262 0.445 41.29 702.8 61 95 33 87 229 12.8 1.631 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4506 2115.0 7.7 scans 64% 205 m/z 0.44% 0.152% 6363 0.8 293 111464 9807964 9130059 3-1 17: 205 217 175 189 177 220 232 91 261 203 233 206 192 77 161 163 135 0.870 41.49 -81.6 84 99 85 98 276 20.3 0.478 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5657 2123.6 >10 scans 29% TIC 2.7% 0.0123% 6383 1.2 111 18130 0.0327% 797818 763383 2105145 1-0 0.708 41.76 725.9 68 92 69 93 272 27.0 5.878 -0.195 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 41.7463 2133.8 8.0 scans 3.4% 272 m/z (85) 12% 0.00222% 6413 0.8 32 3979 142983 140425 1-0 9: 272 91 108 171 273 80 202 190 92 0.201 42.40 -36.6 61 83 25 75 272 8.3 0.000 -0.653 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8384 2139.0 9.3 scans 18% 57 m/z 2.4% 0.00703% 6429 1.2 80 20615 452751 434697 0-1 20: 57 71 85 43 125 99 69 70 97 252 127 56 53 107 112 197 113 163 98 169 0.512 41.48 20.0 65 74 58 71 268 2.1 0.000 0.355 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0161 2148.9 8.0 scans 92% TIC 0.025% 1.18% 6459 0.7 802 1943303 76283447 72919471 2-2 0.981 42.01 746.9 80 100 98 100 272 18.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3278 2166.4 12.1 scans 95% 73 m/z 0.013% 5.26% 6512 0.4 1387 3739201 339180629 321178757 2-3 20: 73 281 207 341 148 295 267 356 325 208 74 265 357 327 205 191 133 131 343 279 0.980 42.37 757.4 73 91 91 98 503 221.8 2.557 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8526 2252.0 8.1 scans 48% 71 m/z (205) 1.7% 0.0265% 6770 1.1 114 28501 1707326 1578512 2-3 19: 71 85 43 127 267 99 69 239 113 70 84 72 86 266 169 238 141 183 56 0.929 43.94 -4.7 65 69 84 84 282 5.2 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1234 ? Thunbergol 45.1732 2327.9 8.8 scans 38% 95 m/z (120) 7.8% 0.0147% 6993 0.8 78 6325 950176 798441 3-3 16: 95 81 107 105 123 148 53 141 67 82 147 117 149 96 135 163 0.775 44.90 15.7 76 84 69 81 272 4.8 0.000 0.272 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5356 2348.8 9.7 scans 60% 95 m/z (193) 3.0% 0.0475% 7055 1.0 133 16486 3060664 2695326 4-2 16: 95 109 207 125 124 137 81 121 67 82 135 93 107 96 120 91 0.849 45.56 -1.6 63 70 75 71 290 0.0 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7635 2361.9 8.9 scans 91% 73 m/z (400) 0.088% 0.451% 7093 1.2 457 564889 29054824 28030321 1-3 20: 73 355 147 221 281 356 357 207 282 222 429 341 148 74 295 415 283 223 327 267 0.985 45.78 -0.7 98 99 97 99 503 40.1 0.770 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1077 2381.7 7.7 scans 82% 79 m/z 0.15% 0.363% 7152 1.0 446 322275 23406583 21627618 1-5 20: 79 67 95 93 80 108 81 55 91 41 107 94 77 121 69 135 59 109 78 149 0.927 46.13 -1.5 97 98 94 99 292 32.1 0.517 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.3869 2397.7 11.5 scans 18% 69 m/z 0.93% 0.0382% 7199 1.3 126 53125 2462777 2318084 4-4 20: 69 81 43 123 67 83 93 149 105 79 85 111 125 91 72 77 53 84 147 110 0.256 46.86 -27.2 65 79 19 71 290 2.4 0.000 -0.472 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1150 ?? UNK 46.46min 46.3999 2398.5 9.7 scans 30% 191 m/z (177) 0.40% 0.0620% 7201 0.9 159 122201 3992672 3632554 6-6 12: 191 137 109 95 192 217 235 121 135 193 149 218 0.557 46.47 909.2 64 89 49 96 235 31.3 3.887 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4135 2399.3 13.6 scans 2.7% 177 m/z (69) 3.5% 0.00341% 7204 2.5 41 14190 0.00586% 219530 195887 377252 0-6 15: 177 139 236 134 203 176 190 39 178 291 206 86 183 273 58 0.303 46.49 -4.7 63 81 17 74 290 8.8 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN HCMIX_~1-N1022 ?? Henicosane 46.6325 2411.9 8.5 scans 19% 85 m/z (168) 7.8% 0.00531% 7241 0.6 49 6382 341935 289790 3-2 15: 85 71 70 110 127 169 67 163 155 69 104 181 125 197 98 0.691 46.28 20.2 62 78 71 74 296 0.0 0.000 0.350 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7630 2419.4 8.4 scans 68% TIC 0.44% 0.0636% 7263 1.0 183 111479 4097558 3574561 4-4 0.870 46.76 924.3 78 98 85 97 298 33.2 3.297 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1152 ?? UNK 47.18min 47.1112 2439.4 9.2 scans 18% 109 m/z (85) 3.8% 0.00705% 7322 1.2 53 12964 454286 397044 6-3 6: 109 123 235 278 137 153 0.604 47.18 935.0 60 89 49 84 278 8.1 2.301 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5050 2462.1 7.7 scans 81% 138 m/z 0.32% 0.102% 7389 1.0 241 154151 6585156 6338430 1-3 20: 138 120 121 57 139 43 55 71 41 70 69 111 85 56 65 92 306 168 83 93 0.940 47.50 949.3 79 99 95 99 168 28.9 1.441 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6951 2473.0 6.6 scans 11% 221 m/z (131) 15% 0.00147% 7421 0.9 29 3169 0.00175% 94693 83719 112661 3-0 4: 221 296 369 295 0.576 44.32 1025.7 65 98 68 94 369 7.9 7.202 3.375 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN TAB_REP1-N1222 ?? Sclareol 47.9min 47.9259 2486.3 >7 scans 21% TIC 12% 0.00130% 7460 0.0 41 3867 0.00292% 84033 76041 187982 2-0 0.463 47.95 -1.3 62 75 29 72 272 3.8 0.861 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4448 2516.2 8.6 scans 69% 148 m/z (295) 1.1% 0.0327% 7548 1.1 124 43279 2111301 1982255 2-2 17: 148 95 123 105 149 161 77 69 137 109 108 135 163 147 162 122 168 0.918 48.48 978.0 69 93 85 92 286 13.5 1.185 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9371 2544.5 7.6 scans 65% 73 m/z (119) 1.3% 0.0211% 7631 1.0 105 36208 1361281 1283923 2-4 20: 73 147 221 355 429 281 430 356 207 431 148 279 267 74 75 282 369 223 296 325 0.846 48.95 994.1 70 95 86 98 429 28.6 7.440 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9371 2544.5 7.6 scans 62% 73 m/z 1.3% 0.0193% 7631 1.0 103 36076 1244324 1173612 2-4 20: 73 147 221 355 429 281 430 356 207 431 148 279 267 74 75 282 369 223 296 325 0.817 51.86 913.6 72 93 77 92 503 7.9 0.595 -2.921 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP2.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3575 2626.2 8.3 scans 34% 87 m/z (111) 6.3% 0.00478% 7872 0.9 48 7907 308118 273084 3-8 8: 87 42 74 75 101 326 199 59 0.723 50.36 1039.2 61 92 72 88 326 10.4 4.772 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1439 772.1 5.3 scans 89% 77 m/z (74) 0.060% 0.157% 44 3.5 246 635924 7077387 6076445 0-7 13: 77 45 78 79 62 76 59 75 63 47 61 46 92 0.996 4.37 18.1 99 100 99 100 77 207.7 71.349 -0.227 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5796 835.6 18.7 scans 76% 177 m/z 0.44% 0.0446% 456 4.7 98 87111 2011906 1890839 1-0 18: 177 210 193 115 192 163 176 119 165 134 103 178 179 88 161 73 99 194 0.821 6.53 -141.2 80 100 81 99 207 76.9 61.417 0.052 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6888 864.4 9.1 scans 32% 98 m/z 3.4% 0.0122% 644 2.5 60 11084 550340 494815 2-2 18: 98 69 41 55 83 39 42 97 53 57 81 79 80 38 43 50 54 99 0.485 7.71 9.1 90 94 49 91 98 28.3 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.4008 987.1 >11 scans 39% 281 m/z 1.4% 0.0130% 1442 10.0 63 27630 587367 545746 0-2 9: 281 93 193 283 69 284 285 80 91 0.463 12.22 40.8 89 96 79 97 281 43.3 47.844 0.181 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1022 ? Octanal 12.9310 1000.9 7.9 scans 40% 57 m/z 3.5% 0.0156% 1532 1.4 78 10873 703965 658621 1-4 17: 57 43 56 41 44 55 82 42 69 39 68 81 85 110 67 100 54 0.786 12.96 -173.9 73 96 78 94 110 11.2 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2368 1009.2 10.0 scans 77% 81 m/z 0.27% 0.0886% 1584 1.9 152 141135 3997267 3678572 1-3 19: 81 110 53 39 67 79 41 82 77 68 65 55 50 40 54 52 62 63 80 0.934 13.22 45.6 92 98 92 97 110 42.6 7.891 0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1016 ? Limonene 13.9086 1027.4 8.7 scans 62% 68 m/z (125) 1.6% 0.0507% 1698 1.6 121 23569 2288350 2073898 3-2 12: 68 57 93 67 94 121 79 107 53 92 39 69 0.877 13.89 52.1 74 84 70 97 136 21.0 3.018 0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1925 1035.1 15.8 scans 86% 79 m/z 0.015% 3.83% 1746 0.3 906 2532322 172645592 159113176 0-8 20: 79 108 107 77 51 91 78 50 89 90 109 65 39 53 52 105 62 38 75 92 0.997 14.11 56.1 92 100 100 100 108 400.2 19.514 0.083 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4759 1042.8 8.5 scans 88% 91 m/z 0.030% 0.516% 1794 1.1 425 1277041 23274552 21985559 1-7 19: 91 92 120 65 63 39 89 51 62 50 121 90 93 64 66 38 74 41 52 0.994 14.44 58.0 91 99 98 100 120 138.1 10.580 0.034 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0142 1057.4 7.9 scans 43% 55 m/z (45) 4.7% 0.0119% 1885 1.5 62 8073 539260 461321 1-5 17: 55 70 83 57 41 69 39 67 42 98 97 84 80 52 53 68 81 0.855 18.83 4.7 76 83 77 83 122 0.0 0.000 -3.816 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1807 1061.9 9.9 scans 86% 105 m/z 0.11% 0.242% 1913 1.7 256 344312 0.269% 10910697 10171136 12122677 2-0 20: 105 77 123 51 46 50 106 78 124 74 76 75 52 79 49 53 66 39 38 80 0.968 15.17 64.5 89 99 97 99 123 91.4 12.767 0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN 98-86-2 ? Acetophenone 15.2681 1064.3 >10 scans 58% 120 m/z 0.44% 0.0464% 1928 2.1 125 86988 2094415 1944275 0-2 15: 120 105 77 107 121 51 106 125 74 81 96 78 75 52 49 0.901 15.29 -181.4 77 99 93 99 120 39.1 9.793 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4292 1068.6 8.4 scans 59% 95 m/z (108) 0.69% 0.0515% 1956 1.4 123 55898 2323060 1984336 1-10 19: 95 81 124 79 43 120 109 53 39 65 66 41 82 96 63 125 51 52 123 0.790 15.43 66.9 83 97 95 99 124 34.4 7.889 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1002 Undecane 16.6087 1100.9 7.5 scans 42% 57 m/z (267) 2.1% 0.0153% 2155 1.0 77 18291 692625 662196 1-1 9: 57 71 43 85 41 70 156 86 127 0.893 16.59 0.9 88 93 88 95 156 9.5 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1016 Nonanal 16.7840 1108.3 8.8 scans 78% 57 m/z (73) 0.46% 0.163% 2185 1.1 213 83209 7390557 6410376 4-5 19: 57 41 56 55 70 43 98 44 82 69 95 68 81 96 67 71 42 45 54 0.984 16.82 85.9 80 99 98 99 124 13.2 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9629 1115.9 8.5 scans 58% 71 m/z (108) 0.81% 0.0442% 2215 1.5 120 47342 1993816 1849055 1-1 18: 71 95 110 43 58 85 84 72 56 55 57 70 59 106 96 45 121 44 0.966 16.97 91.2 77 96 95 99 128 30.3 6.398 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0904 1121.3 11.6 scans 94% 91 m/z 0.014% 2.02% 2237 1.0 683 2613708 91376496 83610668 2-4 20: 91 92 122 65 77 51 63 93 39 89 78 103 104 50 62 90 52 64 123 66 0.995 17.05 95.3 82 99 97 100 122 231.3 11.480 0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0769 1162.9 9.0 scans 73% 73 m/z 0.43% 0.0724% 2404 1.5 151 88321 3264916 3122554 2-3 19: 73 355 267 356 357 268 252 269 251 74 193 75 237 191 249 323 359 177 223 0.887 18.13 -168.8 79 99 85 98 355 67.4 19.868 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7109 1189.7 8.7 scans 40% 55 m/z (113) 3.5% 0.0206% 2511 1.1 82 11016 932793 859150 2-1 19: 55 98 69 82 43 125 67 39 97 110 99 123 80 96 84 79 95 83 107 0.912 18.71 138.9 72 97 91 97 153 2.7 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN M4942-N1002 ? Pyranone 19.0232 1202.9 13.7 scans 43% 144 m/z (103) 2.4% 0.0248% 2564 1.3 72 15804 1118981 1020884 1-3 13: 144 43 44 73 95 101 72 111 55 131 45 68 115 0.884 20.04 -187.6 74 97 90 97 144 32.7 20.703 -1.019 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1018 ? Pyranone 19.0232 1202.9 13.7 scans 34% 144 m/z 2.5% 0.0155% 2564 1.3 65 14961 699892 638535 1-3 13: 144 43 44 73 95 101 72 111 55 131 45 68 115 0.808 18.22 159.4 75 96 76 95 144 31.7 24.076 0.802 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1024 ?? p-Cymene 19.2410 1212.1 10.0 scans 7.4% 134 m/z (57) 10% 0.00149% 2601 1.7 22 3845 0.00171% 67458 67458 77062 0-0 2: 134 119 0.338 13.76 12.6 69 86 62 85 134 9.7 19.198 5.484 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1012 ?? Nicotine 19.6967 1231.4 8.3 scans 0.25% 133 m/z 13% 0.000240% 2678 1.7 14 2860 10801 9638 2-0 8: 133 79 105 135 131 77 72 34 0.202 25.78 76.1 60 100 100 100 162 0.0 0.000 -6.081 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8107 1236.2 10.7 scans 27% 57 m/z 0.20% 0.172% 2697 1.3 216 185514 7778559 7276365 2-4 16: 57 45 75 87 89 72 101 59 85 88 73 62 61 60 131 77 0.850 19.81 168.7 76 99 89 98 144 5.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1004 ?? Dodecane 20.3131 1257.4 9.3 scans 0.84% 57 m/z (99) 2.3% 0.00853% 2782 1.4 48 16212 384625 345902 6-2 4: 57 85 95 137 0.555 20.32 -0.3 69 89 45 84 170 7.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5439 1264.4 8.8 scans 11% 57 m/z (49) 0.34% 0.155% 2821 1.0 220 113165 7012168 6447290 2-1 10: 57 83 81 67 95 69 96 84 110 128 0.856 16.82 -27.0 67 72 77 73 124 3.8 0.000 3.729 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1266 Octanoic acid 20.6720 1268.3 4.6 scans 9.1% 60 m/z 0.38% 0.0568% 2843 2.8 200 99547 0.0945% 2559886 2517807 4258710 0-1 15: 60 85 69 73 97 101 115 87 88 45 108 86 74 111 89 0.778 22.03 -40.8 83 91 68 93 175 0.0 0.000 -1.362 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 20.7959 1272.0 2.1 scans 8.5% 122 m/z 0.28% 0.0213% 2864 2.1 169 135299 961866 868092 1-3 7: 122 105 77 106 123 76 104 0.946 20.03 201.3 75 96 88 96 122 90.5 28.815 0.767 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0120 1278.5 8.5 scans 70% 137 m/z 0.59% 0.0948% 2901 1.2 186 65160 4275074 4014003 1-3 19: 137 152 123 109 81 67 91 79 77 95 93 119 41 153 107 55 53 39 65 0.917 21.00 193.2 66 86 77 86 155 0.0 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2416 1285.4 8.0 scans 18% 281 m/z 2.2% 0.00529% 2940 1.2 46 17270 238380 220399 3-2 17: 281 282 283 207 284 193 77 136 251 133 267 91 93 249 179 265 125 0.581 12.25 132.3 73 97 61 95 281 34.2 55.694 8.991 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1042 ? Phytol 21.2977 1287.0 8.2 scans 28% 71 m/z (77) 7.8% 0.00880% 2949 1.2 53 4962 396584 350677 3-1 10: 71 86 57 56 70 85 126 96 111 110 0.731 35.35 -10.4 75 83 73 82 196 0.0 0.000 -14.049 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.3851 1289.7 16.1 scans 79% TIC 0.22% 0.0586% 2964 1.1 173 173513 0.119% 2643593 2471514 5362820 1-0 0.974 20.98 204.7 78 97 92 99 152 0.0 0.000 0.402 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4601 1291.9 7.0 scans 5.0% 281 m/z 5.5% 0.00278% 2977 0.8 34 7041 125540 105464 1-11 12: 281 147 73 249 282 283 369 207 265 370 191 371 0.598 21.56 -146.8 71 95 49 92 369 11.6 11.859 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0167 1308.6 >9 scans 49% TIC 0.79% 0.0138% 3071 0.6 84 48807 622970 571979 1-0 0.860 22.01 208.2 78 98 81 98 190 23.8 8.098 0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0923 1371.7 7.7 scans 70% TIC 0.11% 0.274% 3423 1.1 318 341017 12351781 10915383 5-5 0.770 24.17 -152.1 79 99 89 99 429 97.6 9.405 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5428 1386.7 8.4 scans 56% 57 m/z (87) 1.2% 0.0321% 3499 0.8 100 30960 1448866 1347761 2-3 8: 57 71 85 113 84 99 72 141 0.944 24.54 249.4 74 98 93 97 169 11.3 1.267 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7346 1393.1 8.3 scans 51% TIC 1.2% 0.0194% 3532 0.8 95 30623 874906 828511 3-0 0.788 24.70 253.5 70 93 77 95 170 3.8 0.159 0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1006 ?? Tridecane 24.8657 1397.5 11.6 scans 28% 71 m/z (87) 2.9% 0.0121% 3553 1.7 57 13308 548590 547003 0-1 9: 71 43 85 57 113 155 72 112 138 0.721 23.86 33.5 67 80 76 77 184 2.0 0.000 1.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1030 ?? 7,10,13-Hexadecatrienoic acid, methyl ester 24.9300 1399.7 23.5 scans 30% TIC 4.0% 0.00944% 3565 0.8 61 9465 0.0140% 425698 397684 630920 0-1 0.572 41.24 10.2 68 73 42 71 264 0.0 0.000 -16.310 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.3816 1414.8 8.9 scans 79% 84 m/z (71) 0.13% 0.185% 3641 1.8 234 293526 8381880 7489647 3-4 18: 84 133 162 161 42 85 92 78 118 130 82 51 65 134 117 63 39 104 0.933 25.89 257.8 73 96 85 95 162 61.5 6.903 -0.510 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7819 1428.1 7.7 scans 22% 93 m/z (148) 4.7% 0.00787% 3709 1.1 53 8150 354920 321581 2-3 8: 93 194 121 136 52 155 154 126 0.711 25.78 272.8 62 95 69 91 194 7.9 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1048 1472.3 6.6 scans 10% 221 m/z 0.88% 0.0318% 3933 0.9 117 43797 1437159 1361920 4-2 18: 221 73 147 281 355 222 267 223 282 443 207 268 283 269 265 249 251 358 0.909 27.12 297.4 75 97 84 96 355 23.4 4.023 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1697 1474.5 7.6 scans 62% 57 m/z (178) 0.30% 0.0837% 3944 1.0 186 125884 0.142% 3775823 3613217 6399331 1-0 18: 57 71 43 85 41 56 99 55 113 98 42 126 112 70 69 141 198 72 0.983 27.21 -1.3 93 95 92 95 198 24.3 1.707 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N407_R~1-N1114 ?? Caryophyllene 27.8439 1499.7 17.3 scans 54% TIC 1.1% 0.0874% 4058 1.4 180 34461 0.120% 3940611 3751133 5407886 1-0 0.684 27.84 314.3 69 94 71 95 204 12.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9224 1502.6 9.1 scans 31% 118 m/z (156) 0.72% 0.0390% 4071 1.2 109 53399 1757661 1633752 8-2 6: 118 146 145 78 104 90 0.908 27.93 315.9 72 96 83 95 146 52.4 23.180 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3905 1520.2 8.8 scans 25% 80 m/z (93) 1.3% 0.0156% 4151 0.9 70 27994 703239 641177 1-4 7: 80 171 104 170 103 78 63 0.808 28.39 326.8 69 96 84 95 171 31.4 20.127 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6550 1530.2 7.7 scans 72% 43 m/z 0.090% 0.313% 4196 0.9 346 429636 14145473 13052334 3-10 17: 43 69 41 151 136 107 67 125 93 109 53 121 39 81 108 79 91 0.880 28.67 332.8 78 99 87 98 194 23.1 0.447 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0901 1546.5 7.5 scans 79% 71 m/z (184) 0.14% 0.341% 4269 1.1 352 275395 0.387% 15369500 14193119 17440431 1-3 20: 71 57 43 85 41 55 177 70 141 113 56 99 112 220 84 69 183 97 135 149 0.963 29.10 342.6 66 88 92 92 227 7.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0901 1546.5 7.5 scans 73% 71 m/z 0.14% 0.283% 4269 1.1 337 264401 0.322% 12793040 11813861 14511160 1-3 20: 71 57 43 85 41 55 177 70 141 113 56 99 112 220 84 69 183 97 135 149 0.864 29.09 342.8 73 95 83 96 220 42.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5068 1562.2 8.5 scans 93% TIC 0.029% 1.49% 4340 1.1 717 1295765 67424288 62286859 2-3 0.987 29.61 -150.9 79 98 97 99 503 122.4 2.911 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6532 1567.7 8.0 scans 79% 177 m/z 0.048% 0.479% 4365 0.9 427 799190 21600142 20759223 2-1 20: 177 43 178 135 91 77 93 121 105 107 159 149 133 79 95 122 192 157 41 119 0.913 29.68 355.2 61 82 64 82 192 51.3 1.445 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7554 1571.5 8.3 scans 74% TIC 0.064% 0.206% 4382 1.4 298 598043 9291058 8514110 1-1 0.934 29.77 357.5 76 96 93 98 193 24.3 0.664 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.3262 1593.0 10.1 scans 34% 57 m/z (153) 0.91% 0.0578% 4479 1.8 116 42363 2607356 2343593 1-1 16: 57 43 85 98 41 82 212 55 99 127 56 42 126 121 151 179 0.944 30.38 -1.9 82 88 90 91 212 13.8 1.416 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5145 1600.7 7.8 scans 87% 191 m/z 0.022% 0.691% 4511 0.8 514 1719525 31147202 29992547 1-2 20: 191 206 192 57 163 91 175 74 41 115 107 207 77 73 88 147 128 161 133 105 0.976 30.50 375.9 80 100 98 100 206 137.5 7.170 0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1098 Olivetol 30.8186 1613.5 8.6 scans 68% 124 m/z 0.13% 0.250% 4562 1.0 293 288580 11310778 10214305 2-6 17: 124 137 55 180 125 81 138 54 82 109 96 53 39 123 110 68 181 0.939 30.81 384.1 80 100 93 99 180 78.2 7.143 0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8794 1616.0 >8 scans 60% TIC 0.52% 0.0588% 4572 1.7 187 74367 0.249% 2652798 2436967 11221363 0-2 0.928 30.88 0.0 85 85 76 87 204 41.7 4.968 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2088 1629.9 9.4 scans 77% 111 m/z 0.098% 0.420% 4628 0.7 365 393273 18957930 17499056 3-3 20: 111 109 137 180 43 67 110 124 152 95 41 112 39 81 79 77 69 165 93 65 0.972 31.18 394.9 77 97 94 98 180 80.7 4.890 0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5086 1642.5 10.0 scans 43% 43 m/z (72) 0.98% 0.0396% 4679 1.3 107 39195 1784934 1700577 1-1 18: 43 166 57 111 85 123 151 82 55 127 58 54 41 68 39 107 99 108 0.867 31.52 -0.2 91 98 87 96 166 21.1 3.852 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1038 ?? Contamination 24.09min 31.6616 1648.9 7.2 scans 9.7% 73 m/z (71) 3.9% 0.00776% 4705 1.1 54 9905 0.00959% 349696 333245 432180 1-0 15: 73 341 237 429 342 223 207 343 325 238 357 147 431 133 251 0.524 24.09 518.1 61 89 67 88 429 13.8 6.512 7.568 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9183 1659.7 9.3 scans 30% TIC 0.64% 0.0288% 4748 0.6 108 59762 1299977 1161345 1-2 0.618 31.92 -0.0 64 71 38 68 219 3.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0671 1665.9 6.7 scans 27% 221 m/z 0.91% 0.0243% 4773 1.0 102 42532 1096614 988156 4-1 19: 221 73 147 222 207 295 325 355 223 281 267 342 208 341 148 429 74 296 357 0.814 32.08 -0.5 95 97 77 96 355 19.2 3.511 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2383 1673.1 9.7 scans 33% 57 m/z 0.68% 0.0446% 4802 1.1 124 56578 2013290 1881588 1-2 19: 57 71 43 85 56 41 70 55 99 105 183 199 113 156 83 211 42 141 72 0.546 32.24 0.0 78 94 66 90 226 5.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4361 1681.4 8.5 scans 60% 57 m/z (211) 0.37% 0.123% 4837 1.0 197 103648 5583979 4989630 1-3 20: 57 71 85 56 43 197 41 196 55 99 113 69 141 70 127 168 83 97 42 155 0.966 32.44 -0.3 85 88 91 88 226 7.0 0.127 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6775 1691.6 8.4 scans 71% 205 m/z 0.82% 0.164% 4877 1.0 248 47112 7409149 6634618 3-2 20: 205 91 119 105 43 93 107 159 79 147 162 41 131 77 121 106 146 69 133 67 0.911 32.67 0.1 95 96 90 97 220 15.9 0.413 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8611 1699.3 7.8 scans 28% 70 m/z (149) 0.52% 0.0442% 4908 1.1 123 73317 1993483 1799288 2-3 1: 70 0.788 32.87 -0.2 70 81 67 80 186 1.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9266 1702.0 8.1 scans 47% 71 m/z (156) 0.17% 0.0928% 4919 0.7 170 225600 4183494 3854691 4-2 11: 71 43 159 243 72 155 173 143 215 89 73 0.904 32.93 -0.3 94 98 96 99 243 28.4 2.775 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0860 1708.7 7.6 scans 34% 83 m/z (179) 2.8% 0.0309% 4946 1.1 98 13395 1393949 1131791 3-0 17: 83 97 55 41 56 69 70 57 42 43 84 112 82 98 54 110 68 0.940 33.09 0.0 88 93 94 95 224 6.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3056 1718.0 8.2 scans 61% 57 m/z (108) 0.46% 0.0757% 4984 1.0 168 83488 0.130% 3415109 3415109 5858543 0-0 19: 57 71 43 85 41 99 56 226 70 55 154 42 113 112 84 98 72 168 155 0.928 33.37 -2.8 90 96 93 97 226 17.1 1.038 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8871 1728.2 >10 scans 21% TIC 2.7% 0.00518% 5082 1.0 70 14205 0.0186% 233691 210450 838222 0-2 0.575 33.90 -0.1 82 95 76 93 197 15.2 4.711 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2684 1733.6 7.4 scans 45% 57 m/z (173) 0.78% 0.0441% 5147 0.9 131 49268 1989375 1852792 1-0 18: 57 71 85 43 98 41 211 210 59 97 70 182 212 141 113 183 58 96 0.929 34.27 0.0 90 94 92 97 211 23.3 3.158 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3623 1735.0 8.6 scans 94% 73 m/z 0.019% 2.55% 5162 0.9 937 2005528 114934907 106701041 2-2 20: 73 221 147 281 356 282 222 267 207 283 148 358 223 385 416 75 149 417 133 191 0.994 34.39 452.0 81 100 99 100 415 113.1 1.457 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8074 1741.3 14.2 scans 89% 91 m/z 0.028% 1.58% 5238 0.3 581 1358757 71584878 65634094 1-2 20: 91 155 199 90 65 184 92 89 120 44 137 63 106 39 77 64 200 51 134 107 0.990 34.79 452.3 80 99 98 99 199 164.6 8.025 0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8977 1742.6 8.0 scans 16% 68 m/z 0.85% 0.0229% 5253 1.4 92 45040 1032852 921968 1-3 4: 68 69 97 154 0.366 34.90 -0.1 86 92 37 86 224 20.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6935 1754.0 9.0 scans 31% 123 m/z (96) 1.2% 0.0321% 5388 1.2 100 30263 1447189 1316294 6-2 15: 123 193 175 195 121 209 149 124 210 178 166 105 131 194 147 0.783 35.70 451.3 67 93 77 91 224 9.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9379 1757.5 9.3 scans 51% 91 m/z (85) 0.34% 0.115% 5429 1.1 188 110897 5221793 4942920 2-4 16: 91 155 184 65 199 44 97 148 89 119 39 51 156 187 188 157 0.759 35.94 451.1 68 95 66 92 238 6.5 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1079 1759.9 9.2 scans 49% 71 m/z (161) 0.67% 0.0747% 5458 1.3 153 57129 3368681 3212089 1-1 19: 71 85 57 43 127 99 113 69 155 55 154 70 169 111 141 56 86 75 112 0.962 29.94 543.5 71 92 94 98 254 0.0 0.000 6.167 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5111 1765.7 6.9 scans 12% 221 m/z (91) 1.0% 0.0370% 5526 1.1 122 35715 1668887 1538745 2-2 16: 221 73 147 295 281 369 341 223 117 296 355 209 148 370 297 342 0.780 36.58 449.2 72 97 77 98 369 18.6 2.326 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2048 1775.6 8.2 scans 15% 209 m/z (210 211) 2.8% 0.00928% 5643 0.9 57 13674 418617 392134 2-2 1: 209 0.559 37.20 449.3 63 94 58 94 224 17.5 9.582 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3051 1777.0 10.1 scans 50% 85 m/z (177) 1.5% 0.0459% 5661 1.3 113 24835 2069329 1890022 1-2 20: 85 71 57 43 210 99 141 84 41 113 127 155 197 69 70 56 111 211 82 86 0.931 38.91 -23.0 78 84 92 83 254 0.0 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0554 1787.8 8.4 scans 59% 57 m/z (79) 0.80% 0.0518% 5788 0.9 131 48071 2336966 2160275 1-1 19: 57 71 85 43 56 225 41 99 55 113 224 127 69 141 42 70 72 83 183 0.928 38.06 448.1 74 99 96 98 225 24.8 3.565 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5672 1795.1 9.1 scans 94% 73 m/z 0.020% 2.42% 5875 1.0 877 1908587 109289730 102920959 2-2 20: 73 147 221 355 281 431 207 401 357 74 295 267 342 282 325 223 343 327 402 283 0.994 38.59 447.0 80 99 99 100 429 260.3 8.817 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4439 1866.2 7.7 scans 55% 74 m/z 0.62% 0.0409% 6023 1.0 129 61848 1844199 1740500 2-3 17: 74 87 43 143 75 213 55 41 256 129 225 59 101 227 199 102 88 0.807 39.45 504.7 69 94 73 92 256 20.2 2.480 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1018 ? Neophytadiene 39.7591 1905.3 7.3 scans 92% 68 m/z 0.14% 0.548% 6077 0.9 475 276197 24711068 23322914 1-2 20: 68 95 82 69 123 57 55 43 81 67 83 41 71 97 96 109 124 111 79 56 0.990 39.94 536.2 79 99 98 99 278 25.2 0.281 -0.177 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8837 1920.7 7.7 scans 74% 43 m/z 0.48% 0.105% 6098 1.1 209 79050 4775963 4377124 2-4 20: 43 58 71 59 57 85 55 109 69 95 41 110 124 113 83 81 56 70 123 96 0.922 39.88 552.4 77 98 92 96 250 22.5 1.152 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.1930 1959.1 7.8 scans 37% 159 m/z (239) 3.7% 0.0138% 6150 1.1 72 10275 622021 620594 2-0 13: 159 119 105 161 120 115 93 160 94 108 187 145 188 0.784 40.24 585.2 71 97 75 95 272 8.6 1.423 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.1930 1959.1 7.8 scans 20% 159 m/z 3.7% 0.00667% 6150 1.1 53 10448 300927 300236 2-0 13: 159 119 105 161 120 115 93 160 94 108 187 145 188 0.559 39.14 602.4 65 88 43 85 272 8.5 2.586 1.052 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3093 1973.5 >8 scans 52% TIC 0.30% 0.0205% 6170 0.9 119 128161 926976 883287 1-0 0.892 40.31 598.6 76 99 89 98 223 29.0 5.958 0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1110 Phytol 40.3866 1983.1 7.8 scans 85% 81 m/z 0.20% 0.386% 6183 1.1 381 185151 17411278 15537765 8-5 20: 81 82 95 68 123 57 43 69 79 55 67 41 83 96 71 124 109 97 278 111 0.972 40.66 -34.1 94 97 95 97 278 43.0 1.277 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6139 2011.3 6.9 scans 48% 221 m/z (161) 1.3% 0.0229% 6221 1.1 97 27760 1032571 976946 2-3 19: 221 73 147 295 281 207 222 369 296 148 282 223 267 297 355 74 357 370 265 0.812 40.63 631.2 72 98 86 98 369 17.2 3.114 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1254 Phytol 40.8542 2041.0 7.9 scans 82% 82 m/z (184) 0.38% 0.217% 6262 1.3 267 100190 9789753 8646021 2-4 16: 82 81 95 68 123 57 43 79 67 71 96 41 109 124 278 53 0.989 40.87 -1.7 97 99 99 99 278 36.0 1.809 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2898 2095.1 10.2 scans 94% 79 m/z 0.018% 4.26% 6336 0.5 1127 2044536 192180850 181971071 2-4 20: 79 93 67 95 91 108 121 55 81 41 77 94 107 135 87 78 105 122 69 53 0.990 41.26 4.1 98 97 96 99 264 86.7 0.592 0.032 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4723 2117.7 7.2 scans 76% 205 m/z (237) 0.42% 0.192% 6367 0.8 276 92125 8674225 8185022 2-1 18: 205 217 175 57 220 189 177 232 261 91 191 203 192 206 163 233 219 176 0.959 41.49 -78.9 83 100 96 99 276 18.3 0.440 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5602 2123.3 8.2 scans 53% 187 m/z (69) 1.0% 0.0712% 6382 1.0 155 36560 3210256 2891647 1-7 9: 187 159 272 119 188 160 273 131 146 0.941 41.76 725.6 74 97 88 97 272 38.3 6.152 -0.201 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 41.7438 2133.6 8.6 scans 13% 175 m/z (95) 9.2% 0.00593% 6412 0.8 44 4207 267337 240537 0-1 20: 175 107 119 159 135 202 189 187 91 161 257 131 145 147 148 106 117 128 79 191 0.612 41.87 734.2 65 94 52 89 272 15.5 0.000 -0.126 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0526 2151.0 10.7 scans 95% 74 m/z 0.0087% 5.72% 6465 0.4 1279 4422305 258219011 238919361 3-2 20: 74 87 143 270 55 43 227 75 41 69 57 239 129 83 185 171 199 97 59 101 0.999 42.01 749.0 80 99 99 99 272 33.5 0.069 0.042 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3394 2167.1 8.9 scans 86% 73 m/z 0.10% 0.397% 6513 0.8 361 361207 17909021 16722380 2-3 20: 73 147 281 341 207 355 429 222 148 430 415 74 505 342 267 223 401 399 265 356 0.960 42.37 758.1 75 92 94 99 503 61.3 2.883 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1612 2213.2 7.9 scans 12% 187 m/z (57) 5.8% 0.00486% 6653 0.6 41 6568 219145 214820 3-0 9: 187 161 272 145 253 188 119 159 163 0.457 43.24 -4.2 81 95 46 91 272 13.2 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1234 ? Thunbergol 45.1565 2326.9 8.5 scans 47% 95 m/z (96) 4.0% 0.0227% 6991 1.4 85 9574 1024169 963488 1-2 18: 95 137 107 192 93 69 109 123 121 94 136 108 204 217 177 148 159 203 0.702 44.90 14.7 75 83 61 80 272 7.2 0.704 0.256 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7994 2363.9 7.5 scans 60% 73 m/z (82) 0.83% 0.0443% 7100 1.0 127 46471 1997683 1847010 2-2 20: 73 355 147 221 356 282 429 357 207 222 208 281 148 295 283 74 327 503 279 415 0.872 45.78 1.3 94 97 87 96 503 13.2 1.078 0.023 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1228 ?? C18:2-butanoate 46.0119 2376.2 10.4 scans 96% 67 m/z 0.035% 3.30% 7136 0.5 974 1087520 149061575 141669040 2-1 20: 67 55 82 96 79 41 109 69 110 80 83 123 93 59 97 135 136 77 121 124 0.997 46.00 0.6 60 59 75 63 294 109.2 1.257 0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1577 2384.5 10.2 scans 92% 67 m/z (294) 0.020% 4.60% 7161 0.5 1138 1884243 207586282 190478821 1-3 20: 67 95 93 108 55 41 107 121 77 135 69 109 149 122 78 87 59 136 43 74 0.993 46.13 1.3 93 92 96 99 292 88.3 0.602 0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7622 2419.3 8.0 scans 85% 74 m/z 0.12% 0.281% 7263 1.1 323 302350 12702044 11914307 2-3 20: 74 87 43 143 75 55 298 255 41 57 69 199 83 129 97 88 267 59 101 71 0.955 46.76 924.2 79 99 97 99 298 60.2 3.463 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9358 2544.5 8.0 scans 54% 73 m/z 1.8% 0.0173% 7632 1.2 79 21052 783510 726822 2-4 19: 73 221 147 429 281 207 430 295 431 357 401 205 279 296 325 369 327 415 342 0.780 48.95 994.1 71 95 76 97 429 23.3 8.772 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 51.1312 2670.8 8.7 scans 31% 74 m/z (169) 5.8% 0.00481% 8003 1.8 39 6617 216824 196700 2-6 9: 74 87 326 98 283 57 199 101 88 0.628 50.36 1083.8 62 90 61 86 326 9.7 0.000 0.774 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8568 2712.5 8.4 scans 34% 73 m/z 2.6% 0.00970% 8126 1.3 59 14630 437522 406993 2-1 17: 73 147 221 341 429 91 355 281 357 503 282 356 325 208 223 431 205 0.528 51.86 1081.6 68 95 60 91 503 11.1 3.589 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6254 2871.8 10.3 scans 17% 221 m/z (264) 7.9% 0.00429% 8595 1.6 31 4900 193658 166856 2-2 7: 221 73 356 147 369 222 296 0.501 45.81 1395.3 63 95 52 89 503 5.6 0.000 8.813 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0862 770.6 6.7 scans 72% 77 m/z 0.066% 0.322% 34 3.3 216 512015 7167535 6312511 1-4 14: 77 45 78 79 76 62 59 75 63 61 47 92 46 80 0.970 4.37 16.6 100 100 98 99 77 185.6 73.675 -0.285 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 6.1954 825.6 >11 scans 58% 57 m/z (56) 0.78% 0.0438% 391 0.3 76 43062 0.0883% 972948 925798 1959480 1-0 9: 57 59 87 41 45 39 102 38 95 0.870 6.03 -136.0 69 93 88 95 102 9.8 1.691 0.162 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5939 835.9 14.4 scans 67% 207 m/z 0.32% 0.114% 458 3.1 107 105149 2536963 2297545 2-2 20: 207 208 209 193 133 163 210 147 148 161 164 149 176 194 73 59 135 81 60 89 0.819 6.53 -140.9 80 100 82 99 207 84.1 61.840 0.066 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6948 864.6 9.3 scans 72% 69 m/z 1.6% 0.0770% 645 2.4 103 20907 1710165 1538393 1-3 20: 69 55 41 83 39 42 57 98 97 70 80 52 79 43 53 56 68 81 40 38 0.868 7.71 9.3 98 99 87 98 98 25.3 6.057 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.4695 988.9 >8 scans 16% 94 m/z 1.7% 0.0147% 1453 999.0 53 19354 0.0262% 326272 300543 581409 0-1 11: 94 79 66 265 179 251 103 284 205 54 91 0.324 12.22 42.6 88 96 76 99 281 36.1 47.130 0.249 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.7015 994.9 17.4 scans 82% TIC 0.42% 0.0988% 1493 1.5 123 80031 0.134% 2192617 2138431 2973616 1-0 0.949 13.22 31.3 93 96 92 98 110 36.3 8.714 -0.521 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1040 Decane 12.8355 998.4 8.1 scans 18% 57 m/z (94) 6.7% 0.00673% 1516 1.0 35 5028 149341 149341 0-0 12: 57 43 112 70 85 71 111 99 56 98 281 113 0.793 12.90 -1.6 80 85 72 90 142 5.3 0.000 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1022 ? Octanal 12.9535 1001.6 8.1 scans 80% TIC 0.66% 0.203% 1536 1.4 193 51236 4523404 4118698 3-4 0.963 12.96 -173.2 79 99 97 99 110 20.6 1.149 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1016 Limonene 13.9264 1027.9 8.3 scans 79% 68 m/z 0.35% 0.240% 1701 1.2 199 96077 5331896 4777588 2-5 20: 68 93 67 79 94 121 92 107 91 77 53 39 41 80 81 136 95 105 65 122 0.920 13.89 52.6 90 99 92 99 136 40.5 4.124 0.034 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1112 1032.9 12.6 scans 91% 79 m/z 0.087% 1.21% 1732 1.9 350 390531 26947021 24506026 2-3 20: 79 108 107 77 51 91 78 50 80 90 89 63 65 109 39 52 74 105 62 76 0.992 14.11 53.9 92 100 99 100 108 154.5 19.491 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4695 1042.6 9.7 scans 91% 91 m/z 0.039% 0.912% 1793 1.4 347 854864 20247696 18097351 2-5 20: 91 92 120 65 63 39 89 51 62 90 50 121 93 64 38 74 66 61 41 52 0.989 14.44 57.8 91 100 98 100 120 111.9 10.412 0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1944 1062.3 20.6 scans 88% TIC 0.078% 0.683% 1915 1.5 289 433759 0.869% 15159216 14723889 19284123 1-0 0.982 15.17 64.9 89 99 98 99 123 101.7 12.426 0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN 98-86-2 ? Acetophenone 15.2688 1064.3 >12 scans 69% 105 m/z 0.15% 0.289% 1928 2.7 195 218041 0.739% 6419246 5982036 16399271 0-2 16: 105 77 51 124 74 121 106 50 65 76 62 125 52 49 61 96 0.980 15.29 -181.4 77 96 94 98 120 49.5 6.444 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 15.4424 1069.0 10.1 scans 21% 95 m/z (119) 1.4% 0.0295% 1958 1.7 59 22783 656308 555820 3-2 10: 95 91 81 109 63 65 92 96 121 125 0.556 15.43 67.3 68 90 55 90 124 22.1 13.849 0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.5309 1071.4 8.5 scans 76% 56 m/z (80) 0.50% 0.221% 1972 1.2 186 67283 4918845 4501851 7-2 17: 56 55 70 69 41 84 83 43 42 57 68 39 82 97 73 54 45 0.985 18.83 18.7 71 73 79 76 122 1.9 0.000 -3.299 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1002 Undecane 16.6189 1101.3 8.2 scans 55% 57 m/z 0.49% 0.120% 2157 1.1 146 68801 2684993 2444784 2-2 18: 57 43 71 85 41 55 56 70 69 84 42 58 127 157 112 156 121 80 0.853 16.59 1.3 93 98 91 97 156 19.7 0.000 0.032 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1016 Nonanal 16.7936 1108.7 8.3 scans 89% 57 m/z 0.10% 1.12% 2186 1.1 435 336690 25036662 23104001 4-5 20: 57 41 56 55 43 98 70 44 69 82 68 95 81 96 67 39 42 71 54 45 0.981 16.82 86.3 82 98 98 99 124 26.8 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 16.9223 1114.2 5.6 scans 8.9% 82 m/z 5.5% 0.00113% 2208 1.5 28 6172 25231 25231 0-0 5: 82 81 103 54 39 1.000 19.12 57.1 62 77 56 77 97 3.3 0.000 -2.199 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9778 1116.5 >9 scans 43% TIC 1.4% 0.0149% 2218 0.8 79 22664 331906 331906 0-0 0.818 16.97 91.8 76 96 82 97 128 20.0 6.382 0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0587 1119.9 11.3 scans 64% 91 m/z 0.25% 0.179% 2231 2.1 145 132135 3972799 3522369 9-2 17: 91 92 122 65 89 63 77 123 111 103 104 78 85 50 64 62 105 0.920 17.05 93.9 81 99 94 99 122 50.1 11.901 0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1006 Contamination 18.13min 18.0776 1163.0 8.0 scans 81% 73 m/z 0.20% 0.272% 2404 1.5 214 166039 6051911 5541158 2-3 20: 73 355 267 356 357 268 269 251 193 74 249 191 339 237 270 323 75 265 253 59 0.939 18.13 -168.7 80 100 92 99 355 91.8 18.333 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.0776 1163.0 8.0 scans 77% 73 m/z (162 106) 0.19% 0.269% 2404 1.5 209 174293 5988848 5483417 2-3 20: 73 355 267 356 357 268 269 251 193 74 249 191 339 237 270 323 75 265 253 59 0.949 18.09 121.4 73 96 93 98 355 93.1 19.891 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1024 ?? p-Cymene 19.7665 1234.3 13.8 scans 1.6% 119 m/z (57) 2.4% 0.0193% 2690 1.6 44 13917 430069 384598 4-1 1: 119 0.681 13.76 34.8 66 78 62 78 134 14.7 11.202 6.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8244 1236.8 10.8 scans 41% 57 m/z 0.098% 0.717% 2700 0.9 312 344434 15917801 14880720 2-4 15: 57 45 75 87 89 72 101 59 85 60 73 62 132 61 131 0.927 19.81 169.3 79 99 98 100 144 7.7 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 20.0516 1246.4 4.2 scans 0.68% 60 m/z (120) 8.1% 0.00495% 2738 1.5 37 4167 0.00525% 110046 92172 116504 1-2 5: 60 115 88 108 35 0.472 22.03 -62.7 61 86 54 89 175 0.0 0.000 -1.982 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 20.2287 1253.8 2.8 scans 6.4% 105 m/z 0.42% 0.0347% 2768 2.4 122 79489 770158 686834 0-9 8: 105 122 77 123 76 106 75 47 0.853 20.03 183.1 72 93 78 93 122 68.3 31.371 0.200 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1004 ? Dodecane 20.3191 1257.7 11.2 scans 27% 57 m/z (97) 1.3% 0.0485% 2784 1.8 80 26138 1076387 1002909 0-3 9: 57 71 85 82 43 112 162 137 72 0.897 20.32 -0.0 77 80 74 83 170 11.4 2.027 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5422 1264.4 8.2 scans 91% 57 m/z (121) 0.15% 0.973% 2821 1.0 402 213623 21595476 20076744 3-2 20: 57 41 43 55 82 70 71 68 83 56 44 67 112 69 81 95 96 84 42 39 0.998 16.82 -27.0 71 73 87 76 124 4.9 0.000 3.727 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.0062 1278.3 8.3 scans 84% TIC 0.25% 0.412% 2900 1.0 275 133159 9144185 8357957 2-2 0.966 21.00 193.0 71 90 83 90 155 0.0 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1006 ?? Arosol 21.0995 1281.1 >11 scans 14% 94 m/z (74 85) 2.4% 0.0171% 2916 1.1 47 13845 381597 346365 0-1 5: 94 66 95 65 50 0.695 20.98 196.1 65 91 83 91 152 2.0 0.000 0.116 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1591 1282.9 6.8 scans 20% 281 m/z 0.60% 0.0342% 2926 1.5 78 56320 760689 670081 2-5 16: 281 282 89 283 58 193 265 207 133 251 191 267 208 268 249 266 0.564 12.25 129.8 74 98 58 96 281 61.6 61.862 8.908 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1042 ? Phytol 21.2837 1286.6 8.3 scans 49% 57 m/z (283) 2.2% 0.0554% 2947 1.2 93 14934 1230407 1113793 3-3 11: 57 56 70 71 85 126 95 111 83 96 82 0.946 35.35 -10.8 79 83 84 82 196 0.0 0.000 -14.063 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4590 1291.9 6.8 scans 33% 281 m/z (56) 2.4% 0.0192% 2977 0.9 61 14068 428156 380480 2-3 17: 281 147 73 282 369 283 207 370 249 265 148 74 371 250 284 251 193 0.828 21.56 -146.8 75 99 81 98 369 16.2 7.032 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1040 ?? Nonanoic acid 22.8776 1334.5 14.5 scans 29% 73 m/z (70 71) 0.40% 0.253% 3217 0.3 153 83510 5619469 5024276 1-6 18: 73 60 115 129 98 61 87 45 74 101 59 93 116 130 51 158 81 80 0.787 22.70 -140.8 64 94 67 92 158 11.5 0.565 0.182 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8321 1363.1 9.4 scans 49% 57 m/z (72) 0.93% 0.0864% 3379 1.0 107 36312 1917681 1743243 2-1 12: 57 71 85 41 70 69 56 84 83 184 42 113 0.896 23.86 -0.9 86 93 86 91 184 12.8 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0942 1371.8 7.3 scans 66% 73 m/z 0.10% 0.485% 3423 1.0 306 315407 10781332 10064592 2-3 19: 73 341 429 342 325 147 343 430 431 74 326 207 96 45 432 148 251 81 75 0.779 24.17 -152.0 79 99 91 99 429 93.4 9.316 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5411 1386.7 7.2 scans 67% TIC 0.55% 0.0665% 3499 1.3 139 60740 0.0936% 1477505 1477505 2077093 0-0 0.903 24.54 249.4 77 99 89 97 169 15.4 1.229 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1032 ?? Dodecane 25.1704 1407.7 11.0 scans 45% 71 m/z (145 82) 1.8% 0.0487% 3605 1.1 76 18776 1082732 972889 2-2 15: 71 57 85 56 99 111 70 113 127 212 112 42 155 126 72 0.854 20.36 7.5 67 76 84 75 170 2.7 0.000 4.812 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.3930 1415.1 10.4 scans 61% 84 m/z (99) 0.47% 0.0990% 3643 2.0 110 71910 2197057 2068865 1-2 17: 84 133 162 161 42 119 92 134 78 130 80 51 116 65 132 160 106 0.885 25.89 258.1 70 94 75 93 162 30.0 7.412 -0.499 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7017 1425.5 8.4 scans 51% 159 m/z (173) 0.36% 0.0892% 3695 1.0 119 92194 1980520 1765819 5-3 14: 159 174 160 131 129 128 115 89 143 117 144 75 116 175 0.834 42.45 14.9 62 65 52 66 272 0.0 0.000 -16.744 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0122 1435.8 8.2 scans 5.6% 160 m/z 8.4% 0.00305% 3748 1.2 23 4011 67703 66641 0-1 5: 160 115 145 117 153 0.758 27.08 -187.0 61 90 54 88 160 11.8 25.422 -1.065 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1108 1472.5 6.7 scans 22% 221 m/z 0.78% 0.0632% 3934 0.9 116 43550 1404509 1262133 4-3 19: 221 73 147 281 222 267 355 148 282 283 223 268 356 445 269 207 149 251 205 0.883 27.12 297.6 76 97 83 97 355 22.9 3.917 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1675 1474.4 >10 scans 38% TIC 0.45% 0.0242% 3944 1.0 131 74795 0.173% 538838 519055 3839072 1-0 0.815 27.21 -1.4 93 96 75 93 198 19.4 2.187 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8358 1499.4 8.0 scans 36% 71 m/z 0.89% 0.0705% 4056 1.3 114 38029 1566040 1421983 2-3 16: 71 57 43 85 70 168 41 169 99 67 91 113 79 153 127 212 0.603 27.84 314.1 62 92 55 88 212 6.7 0.346 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1032 ?? Myosmine 28.0436 1507.2 12.8 scans 17% 118 m/z (77) 3.3% 0.0256% 4092 0.9 50 10145 569489 496499 3-1 12: 118 146 125 145 78 69 133 116 104 121 68 115 0.615 27.93 320.5 62 90 54 94 146 22.5 19.922 0.113 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6634 1530.5 8.2 scans 93% 43 m/z 0.022% 2.83% 4197 0.8 705 1524804 62835082 59092355 2-2 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 81 39 68 79 108 55 91 0.990 28.67 333.1 80 99 99 99 194 44.1 0.391 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0855 1546.3 7.5 scans 73% 71 m/z 0.14% 0.430% 4268 1.3 293 226742 0.519% 9550780 8687448 11517215 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 69 183 97 42 140 72 58 0.907 29.10 342.4 68 90 89 88 227 5.8 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5282 1563.0 7.6 scans 59% 73 m/z 0.19% 0.312% 4343 1.1 243 172993 6945276 6495004 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 55 74 69 148 83 70 504 416 0.739 29.61 -150.1 78 99 92 99 503 41.6 2.927 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6386 1567.1 8.3 scans 65% 177 m/z (126) 0.12% 0.358% 4362 0.9 245 278065 7954563 7677207 1-1 19: 177 43 178 91 159 93 77 149 79 105 119 133 121 135 107 122 41 109 162 0.815 29.68 354.6 62 87 54 84 192 30.5 1.543 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7449 1571.1 15.7 scans 73% TIC 0.11% 0.164% 4380 1.1 208 303468 0.299% 3655414 3655414 6635158 0-0 0.954 29.77 357.1 77 97 94 98 193 17.1 0.675 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9344 1578.3 15.9 scans 79% TIC 0.15% 0.595% 4412 1.3 275 216873 13213351 12048009 1-1 0.919 29.94 361.9 74 94 88 94 254 7.2 0.069 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.3063 1592.2 8.4 scans 34% 71 m/z (106) 1.0% 0.0604% 4476 1.5 100 32747 1341773 1244754 0-1 18: 71 85 112 212 55 182 70 97 99 94 39 155 84 58 54 113 44 181 0.937 30.38 -2.7 87 93 89 90 212 14.0 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4875 1599.5 8.0 scans 77% 191 m/z 0.057% 0.462% 4506 1.0 292 589681 10260768 9614307 2-3 20: 191 206 192 57 163 74 175 91 115 147 41 88 107 207 73 128 77 161 60 65 0.944 30.50 374.7 80 99 93 99 206 79.9 7.467 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8051 1612.9 8.2 scans 33% 124 m/z (71) 0.90% 0.0594% 4560 1.0 99 37556 1318587 1235089 2-6 7: 124 137 125 54 138 180 181 0.922 30.81 383.5 73 97 88 96 180 28.2 8.038 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8653 1615.4 10.3 scans 69% 162 m/z (124) 0.54% 0.186% 4570 1.3 154 62414 4148976 3697551 3-3 19: 162 147 161 105 77 91 134 115 119 131 132 145 144 103 79 204 51 63 65 0.890 30.88 -0.6 85 88 71 92 204 13.7 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1776 1628.5 8.9 scans 76% 111 m/z 0.18% 0.411% 4623 0.9 264 180816 9142066 8271458 2-1 20: 111 109 137 43 67 180 110 41 124 152 95 71 85 69 57 39 79 112 81 77 0.928 31.18 393.5 77 96 89 100 180 53.7 4.138 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5029 1642.2 9.2 scans 71% 43 m/z (113) 0.40% 0.176% 4678 1.1 160 84925 3919175 3523163 2-1 19: 43 98 111 166 55 151 82 71 41 127 85 107 68 59 83 67 81 69 123 0.966 31.52 -0.5 97 100 98 99 166 31.8 3.945 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9108 1659.4 8.5 scans 48% 71 m/z (143) 1.6% 0.0724% 4747 0.6 103 20042 1607699 1508854 2-1 18: 71 83 57 85 43 55 97 99 69 127 70 84 113 125 56 112 42 155 0.958 31.92 -0.3 81 86 92 89 219 3.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N407_R~1-N1128 ?? Caryophyllene oxide 32.0401 1664.8 8.9 scans 41% 43 m/z (221) 4.1% 0.0535% 4769 0.8 93 8265 1188405 1134472 1-1 20: 43 71 57 146 55 105 177 41 68 122 83 98 91 70 178 69 139 110 150 81 0.732 31.90 419.0 60 90 58 92 220 6.3 0.000 0.140 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0708 1666.1 6.6 scans 34% 221 m/z 1.0% 0.0359% 4774 1.1 89 31054 798341 745353 2-2 18: 221 73 147 295 222 207 223 341 355 281 342 209 356 325 267 296 74 205 0.844 32.08 -0.3 95 97 79 95 355 16.5 3.470 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N407_R~1-N1124 ?? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1747 1670.4 11.0 scans 15% 109 m/z (57) 5.5% 0.0145% 4791 0.7 43 6097 323421 297550 0-2 7: 109 123 138 206 190 208 175 0.318 32.20 420.1 61 90 36 84 206 7.5 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2290 1672.7 8.7 scans 55% 57 m/z (199) 0.83% 0.0937% 4801 1.4 116 40932 0.102% 2081323 2010274 2263499 2-2 15: 57 43 71 85 183 41 56 99 113 182 127 70 149 42 226 0.908 32.24 -0.4 87 92 87 93 226 5.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4344 1681.4 10.2 scans 34% 57 m/z (159) 1.1% 0.0724% 4836 0.8 98 29588 1607183 1465075 2-1 18: 57 85 71 197 56 41 196 113 149 55 168 109 99 141 127 111 198 42 0.866 32.44 -0.3 82 89 78 87 226 3.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6652 1691.1 8.4 scans 45% 91 m/z 2.8% 0.0568% 4875 1.1 106 11932 1262467 1149875 1-2 19: 91 119 79 159 105 93 107 43 147 162 145 41 146 160 135 220 77 39 121 0.708 32.67 -0.4 92 95 66 93 220 7.8 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9250 1702.0 7.8 scans 64% 71 m/z (177) 0.21% 0.129% 4919 0.9 148 156582 2871471 2672095 6-6 13: 71 43 159 111 56 72 155 173 143 89 243 73 215 0.957 32.93 -0.3 94 95 90 99 243 22.6 2.330 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0844 1708.7 7.2 scans 44% 57 m/z (159) 4.2% 0.0300% 4946 0.8 78 8042 666122 666122 0-0 19: 57 83 97 98 56 69 70 111 84 71 99 96 82 68 67 112 54 42 126 0.883 33.09 -0.0 89 99 94 97 224 5.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3028 1717.8 7.5 scans 78% 57 m/z (110) 0.35% 0.187% 4983 0.8 181 95898 4152514 3827247 6-2 20: 57 71 43 85 41 55 99 56 70 69 113 42 83 98 84 112 155 58 126 168 0.977 33.37 -3.0 97 99 97 98 226 19.9 1.203 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8837 1728.1 7.3 scans 29% TIC 2.3% 0.00895% 5081 1.1 61 14298 0.0169% 198810 198810 375031 0-0 0.656 33.90 -0.2 86 91 65 86 197 13.5 4.917 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2597 1733.5 8.3 scans 30% 57 m/z (173) 2.6% 0.0211% 5145 1.1 61 13070 470190 430803 1-1 18: 57 71 182 85 43 86 210 41 98 183 212 211 58 139 83 141 100 128 0.780 34.27 -0.1 85 95 84 93 211 11.6 3.656 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3595 1734.9 8.8 scans 93% 73 m/z 0.036% 2.16% 5162 1.2 596 932141 48106726 45147235 2-3 20: 73 355 147 221 356 401 357 282 222 402 74 327 267 148 207 283 223 385 416 75 0.983 34.39 451.9 80 100 98 100 415 70.4 1.396 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7314 1740.2 10.7 scans 84% 91 m/z 0.057% 1.08% 5225 0.7 375 594159 24023167 21346444 3-5 20: 91 155 199 90 65 184 92 44 89 120 63 137 106 77 39 64 200 156 51 134 0.970 34.79 451.2 80 99 96 99 199 106.1 8.027 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8967 1742.6 9.9 scans 38% 69 m/z (43) 1.6% 0.0757% 5253 1.6 98 20866 1681190 1517391 3-1 16: 69 68 83 55 97 41 82 111 70 67 84 125 123 96 126 112 0.863 34.90 -0.1 89 98 93 98 224 12.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5514 1766.3 7.0 scans 22% 221 m/z (199) 1.9% 0.0322% 5533 1.0 78 17294 715619 644568 3-4 17: 221 73 147 295 208 281 223 297 296 205 148 267 282 342 343 371 370 0.727 36.58 449.8 70 95 65 95 369 12.3 2.459 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1895 1775.4 8.2 scans 65% 209 m/z 0.23% 0.195% 5642 1.0 188 146500 4330870 4098776 2-1 20: 209 224 181 165 210 167 178 166 105 179 104 225 103 194 77 91 115 193 152 97 0.889 37.20 449.1 79 99 88 99 224 61.5 10.750 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1016 ? Octadecane 37.2976 1776.9 8.9 scans 51% 85 m/z (91) 1.5% 0.0668% 5659 1.3 98 21540 1483537 1284891 1-4 16: 85 71 57 43 113 126 84 127 141 155 125 112 72 156 56 100 0.939 38.91 -23.1 77 82 88 81 254 0.0 0.000 -1.612 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3832 1778.2 8.4 scans 41% 220 m/z (112) 4.1% 0.0414% 5674 1.0 82 8127 919292 823126 3-5 11: 220 93 123 109 105 135 187 133 104 192 177 0.775 34.14 499.0 61 86 72 84 220 17.3 4.476 3.247 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0473 1787.7 8.0 scans 64% 57 m/z (169) 0.85% 0.0802% 5787 1.2 118 39842 1781640 1718788 1-1 17: 57 71 85 43 56 99 41 55 224 69 113 127 225 70 98 141 155 0.917 38.06 448.0 72 98 92 96 225 22.5 3.655 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5733 1795.2 8.5 scans 90% 73 m/z 0.053% 1.32% 5876 1.1 469 639771 29404195 27385015 2-3 20: 73 429 147 221 355 430 281 341 431 356 74 401 357 148 342 282 267 223 325 459 0.974 38.59 447.1 80 100 97 99 429 137.7 8.622 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8053 1798.5 10.7 scans 45% 85 m/z (140) 1.5% 0.0525% 5915 1.2 87 21845 1165039 1164900 0-1 20: 85 113 69 141 169 42 41 70 86 99 55 210 67 72 238 58 124 110 97 68 0.766 36.21 -52.4 66 92 82 88 240 8.6 0.000 2.594 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4422 1866.0 7.8 scans 16% 74 m/z 3.6% 0.00894% 6022 1.2 41 9257 198492 179989 5-2 15: 74 102 75 73 256 229 213 87 143 171 228 211 101 185 60 0.482 39.45 504.5 65 93 47 88 256 8.0 3.920 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.7882 1908.9 9.4 scans 95% 68 m/z 0.022% 8.23% 6082 0.5 1135 1543671 182723662 171437014 2-1 20: 68 95 82 123 69 81 57 55 67 83 43 97 41 71 109 96 124 111 79 110 0.998 39.94 539.8 80 100 100 99 278 63.8 0.316 -0.148 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8844 1920.8 7.6 scans 57% TIC 0.82% 0.0846% 6098 1.3 137 41280 1878855 1648568 1-3 0.786 39.88 552.5 74 97 78 94 250 16.1 1.371 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3006 1972.4 8.1 scans 64% 149 m/z (71) 0.27% 0.0935% 6168 1.2 123 124945 2076933 1859478 2-9 10: 149 223 150 104 76 167 65 224 121 50 0.901 40.31 597.5 73 95 91 99 223 25.6 4.302 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N406_R~1-N1110 Phytol 40.3809 1982.4 7.5 scans 81% 81 m/z (249) 0.41% 0.346% 6182 1.3 247 81211 7697309 7215937 2-5 12: 81 82 95 68 123 43 79 67 124 96 109 278 0.958 40.66 -34.8 90 96 94 96 278 28.1 1.290 -0.281 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6099 2010.8 7.0 scans 34% 221 m/z (109) 2.2% 0.0234% 6221 1.0 68 15217 521437 482796 2-7 20: 221 73 147 295 207 281 296 355 222 267 369 297 371 401 209 149 370 265 325 208 0.791 40.63 630.7 73 99 81 97 369 12.4 3.347 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1254 Phytol 40.8378 2039.0 7.7 scans 65% 82 m/z 0.85% 0.108% 6259 1.3 144 39942 2410108 2220849 1-5 19: 82 95 81 123 57 68 43 96 67 71 278 55 69 41 79 109 97 124 111 0.835 40.87 -3.7 94 95 81 94 278 21.6 2.255 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9889 2057.7 7.9 scans 41% 138 m/z 1.6% 0.0356% 6285 1.1 85 21133 791633 757360 1-3 14: 138 109 120 69 124 121 65 139 262 82 53 81 92 68 0.760 41.00 671.9 78 99 76 98 262 12.2 2.056 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2315 2087.8 7.9 scans 72% 79 m/z (191) 0.84% 0.142% 6326 1.1 156 40116 3165481 2915369 2-2 19: 79 67 93 95 80 55 108 91 121 41 81 94 77 39 107 87 59 78 66 0.925 41.26 -3.2 94 99 93 98 264 11.4 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4210 2111.3 8.6 scans 69% 205 m/z 0.61% 0.246% 6358 1.1 203 55292 5463552 4959522 3-3 20: 205 217 175 57 189 220 177 232 261 41 203 163 192 191 206 135 218 190 115 77 0.843 41.49 -85.3 82 98 83 98 276 14.6 0.518 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5556 2123.1 8.1 scans 33% 187 m/z (69) 2.8% 0.0363% 6381 1.0 76 12111 0.0429% 807559 761092 952001 1-0 10: 187 159 173 272 160 145 225 257 188 130 0.813 41.76 725.4 69 94 69 93 272 22.5 8.776 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9907 2147.5 7.8 scans 90% 74 m/z 0.062% 0.925% 6455 1.0 415 540979 20540610 19117259 2-3 20: 74 87 43 143 55 75 41 227 270 69 57 83 129 239 59 97 101 88 185 171 0.972 42.01 745.5 80 100 97 99 272 10.1 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3473 2167.5 7.5 scans 70% 73 m/z 0.38% 0.139% 6515 1.1 162 87792 3090516 2858473 2-3 20: 73 147 281 221 429 503 282 341 207 356 222 415 504 355 283 430 74 431 461 505 0.858 42.37 758.5 73 95 86 97 503 28.0 2.986 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2965 2277.4 6.8 scans 25% TIC 6.1% 0.00250% 6845 1.0 33 5543 55584 48157 3-0 0.567 44.32 830.1 63 94 54 89 369 8.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7960 2363.7 7.8 scans 53% TIC 1.4% 0.0297% 7099 1.4 76 22959 661258 596614 3-1 0.715 45.78 1.1 92 94 67 91 503 8.3 1.178 0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9117 2370.4 8.4 scans 40% 74 m/z (67) 2.5% 0.0215% 7119 1.4 56 13388 478682 455502 1-3 12: 74 87 199 75 298 255 143 241 129 269 88 185 0.716 45.92 891.7 69 96 73 91 298 10.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0947 2380.9 8.3 scans 79% 79 m/z (264) 0.73% 0.171% 7150 1.3 166 46551 3805990 3584266 1-6 20: 79 95 67 93 80 108 81 55 41 91 94 107 121 135 77 82 53 109 149 78 0.931 46.13 -2.3 93 97 94 97 292 12.1 0.534 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7564 2419.0 9.1 scans 35% TIC 2.2% 0.0146% 7262 1.0 53 14894 325627 298200 2-2 0.616 46.76 923.9 68 92 56 89 298 12.5 5.466 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4914 2461.3 8.0 scans 27% 121 m/z (41) 10% 0.00736% 7387 1.4 33 3336 163535 143192 1-8 10: 121 85 111 57 71 168 98 70 55 93 0.600 47.50 948.5 62 94 63 90 168 5.7 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9406 2544.7 7.4 scans 46% 281 m/z 2.8% 0.0132% 7632 0.8 50 11734 294654 267939 1-5 19: 281 355 429 222 357 431 221 283 295 341 282 356 325 401 205 432 296 369 279 0.601 48.95 994.3 73 98 57 95 429 17.8 12.629 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8492 2712.1 8.3 scans 42% TIC 4.0% 0.00943% 8125 1.1 43 8474 209335 196407 1-5 0.600 51.86 1081.2 67 92 57 87 503 8.3 3.697 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0725 770.3 12.7 scans 64% 77 m/z 0.11% 0.200% 32 3.1 154 277309 4889404 4431113 2-2 19: 77 55 45 79 62 59 43 47 75 83 46 92 58 61 42 51 64 38 37 0.791 4.37 16.3 99 100 97 100 77 133.9 75.258 -0.298 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.1942 825.5 16.7 scans 54% 57 m/z (56) 0.83% 0.0368% 391 0.3 70 39642 0.0538% 898434 831331 1310593 1-0 6: 57 87 59 102 86 69 0.890 6.03 -136.1 70 92 89 94 102 8.9 1.585 0.161 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5914 835.9 14.9 scans 66% 207 m/z 0.35% 0.0958% 458 2.7 98 93204 2334455 2089576 2-3 20: 207 208 209 191 133 177 161 193 165 147 192 163 89 189 103 88 210 115 162 211 0.807 6.53 -140.9 80 100 81 99 207 77.6 62.316 0.063 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6936 864.6 9.3 scans 68% 69 m/z 2.2% 0.0471% 645 2.4 81 14608 1148583 1072982 1-2 19: 69 41 83 55 98 57 39 42 70 80 43 97 53 56 51 79 50 38 68 0.839 7.71 9.3 97 98 84 97 98 20.2 6.183 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2751 983.8 >10 scans 9.9% 283 m/z (43) 1.2% 0.0224% 1420 999.0 64 27318 0.109% 545819 495437 2655290 0-3 12: 283 205 281 118 208 115 265 94 147 76 203 176 0.551 12.22 37.5 83 93 65 94 281 42.0 42.468 0.055 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6842 994.5 10.6 scans 76% 81 m/z (112) 0.42% 0.113% 1490 2.2 116 78345 2762890 2545099 2-1 18: 81 110 53 39 79 67 41 68 65 95 82 54 77 51 50 66 109 52 0.928 13.22 30.9 92 96 91 99 110 35.6 9.442 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1022 ? Octanal 12.9399 1001.2 8.1 scans 78% 43 m/z 0.82% 0.150% 1533 1.4 165 40038 3660347 3435326 1-5 19: 43 57 84 41 56 44 55 69 82 42 67 68 81 39 85 100 72 71 95 0.932 12.96 -173.6 78 99 95 99 110 17.6 1.130 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1016 Limonene 13.9163 1027.6 8.3 scans 66% 68 m/z (108) 1.1% 0.0708% 1699 1.2 109 29205 1726663 1559607 2-3 19: 68 93 67 136 79 92 107 91 53 39 124 77 123 81 94 105 80 95 65 0.841 13.89 52.3 85 98 90 97 136 22.5 4.284 0.024 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0963 1032.5 12.2 scans 92% TIC 0.10% 0.874% 1729 2.0 313 326924 21310930 19872610 3-1 0.982 14.11 53.5 92 100 99 100 108 139.1 19.748 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4564 1042.3 9.4 scans 90% 91 m/z 0.056% 0.535% 1790 1.5 279 580987 13033492 11630393 2-5 20: 91 92 120 65 63 89 39 51 62 50 121 90 93 66 38 74 61 52 41 75 0.984 14.44 57.5 91 100 98 100 120 90.7 10.584 0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0202 1057.6 7.9 scans 61% 70 m/z (138) 1.8% 0.0494% 1886 1.4 92 17470 1204760 1117164 1-3 17: 70 55 83 41 57 69 98 39 42 66 51 93 67 97 84 58 53 0.885 18.83 4.9 76 80 78 84 122 0.0 0.000 -3.810 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1855 1062.0 12.6 scans 90% 105 m/z 0.060% 0.783% 1914 1.3 317 547887 1.07% 19088487 18363436 26065690 2-0 20: 105 77 123 51 46 106 50 78 124 74 76 75 52 79 94 109 104 73 66 90 0.987 15.17 64.6 89 100 98 100 123 113.1 12.751 0.015 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN 98-86-2 ? Acetophenone 15.2752 1064.5 >11 scans 66% 105 m/z 0.12% 0.299% 1929 1.7 211 259185 7308067 6558209 1-2 19: 105 120 51 43 121 78 76 74 65 63 62 107 89 125 52 38 91 37 108 0.965 15.29 -181.2 79 99 96 99 120 70.6 11.151 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.4452 1069.1 9.7 scans 16% 95 m/z (91) 1.7% 0.0201% 1958 1.5 50 18724 489754 416217 5-2 6: 95 81 79 109 96 124 0.539 15.43 67.4 71 91 53 90 124 20.4 16.423 0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1002 Undecane 16.6129 1101.1 8.5 scans 68% TIC 0.72% 0.0735% 2156 1.0 119 45696 1791929 1674971 1-1 0.828 16.59 1.1 94 98 92 97 156 15.4 1.657 0.026 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1016 Nonanal 16.7865 1108.4 8.2 scans 89% 57 m/z 0.10% 0.971% 2185 1.2 416 320255 23655900 21737189 5-4 20: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 39 42 71 54 83 0.983 16.82 86.0 83 99 99 99 124 26.7 0.412 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 16.9204 1114.1 5.3 scans 9.3% 82 m/z (122) 6.2% 0.00211% 2208 1.0 24 5305 51462 51462 0-0 4: 82 54 81 109 0.765 19.12 57.0 62 86 56 84 97 3.9 0.000 -2.201 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9700 1116.2 >9 scans 37% TIC 1.7% 0.0125% 2216 1.0 66 19183 305942 276127 1-0 0.687 16.97 91.5 76 98 70 97 128 18.4 7.833 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0562 1119.8 10.7 scans 61% 91 m/z 0.30% 0.118% 2231 1.6 125 107042 2895128 2627415 5-2 16: 91 92 122 65 77 93 63 89 51 78 103 123 62 90 50 66 0.885 17.05 93.8 80 99 90 98 122 44.4 12.620 0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0781 1163.0 8.9 scans 72% 73 m/z 0.41% 0.119% 2404 1.3 141 79556 2916467 2769388 2-3 19: 73 355 267 357 356 268 270 251 193 74 252 249 323 205 192 154 359 45 59 0.872 18.13 -168.7 79 99 84 98 355 63.4 20.271 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1018 Contamination 12.25min 18.3443 1174.2 7.5 scans 15% 281 m/z (84) 7.0% 0.00410% 2449 0.9 28 4711 100016 90764 1-5 5: 281 282 193 191 283 0.570 12.25 21.1 81 91 29 89 281 17.5 38.885 6.093 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7151 1189.9 8.2 scans 41% 55 m/z (152) 5.7% 0.0181% 2512 0.8 56 5787 441931 393667 1-2 13: 55 111 98 70 91 41 39 71 137 126 53 125 93 0.818 18.71 139.1 68 95 79 96 153 0.0 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1024 ?? p-Cymene 19.7493 1233.6 11.9 scans 2.1% 119 m/z (37 101) 2.4% 0.0163% 2687 2.3 43 13207 399479 380313 2-0 3: 119 92 65 0.737 13.76 34.1 68 78 67 78 134 13.9 10.415 5.992 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8231 1236.7 >20 scans 34% TIC 0.19% 0.404% 2700 1.2 240 172492 9860445 9197612 2-0 0.943 19.81 169.2 77 96 93 98 144 5.6 0.054 0.009 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 20.0327 1245.6 3.6 scans 6.9% 105 m/z 0.59% 0.0276% 2735 2.2 106 55709 673338 571725 1-6 6: 105 122 77 123 106 104 0.901 20.03 174.9 74 95 85 94 122 57.1 28.985 0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3202 1257.7 10.4 scans 30% 57 m/z (107) 1.5% 0.0368% 2784 1.1 70 20822 897450 787136 3-7 6: 57 71 170 84 72 140 0.839 20.32 0.0 81 87 74 91 170 9.1 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1034 ? Decanal 20.5351 1264.2 8.0 scans 90% TIC 0.15% 0.830% 2820 0.9 400 219698 20225519 18570865 4-2 0.984 20.57 -142.8 71 87 92 99 138 20.9 0.274 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.0002 1278.1 8.7 scans 81% 137 m/z 0.29% 0.340% 2899 1.1 245 110221 8299415 7452659 3-2 20: 137 152 109 123 81 67 91 77 79 95 94 93 41 39 107 138 53 55 119 65 0.929 21.00 192.8 75 95 83 95 155 0.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1042 ? Phytol 21.2789 1286.5 8.0 scans 48% 57 m/z (121) 2.3% 0.0453% 2946 1.3 89 14146 1104257 1002520 4-3 10: 57 56 70 85 71 98 95 96 111 100 0.948 35.35 -10.9 78 85 85 84 196 0.0 0.000 -14.068 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4495 1291.6 6.5 scans 15% 147 m/z 4.6% 0.00642% 2976 0.8 39 7090 156440 142597 3-2 11: 147 281 73 282 369 207 148 265 191 371 208 0.731 21.56 -147.1 72 95 69 93 369 11.3 8.514 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 21.9524 1306.7 16.6 scans 29% 57 m/z (156) 4.0% 0.0144% 3061 0.6 49 8065 0.0216% 351575 322254 526186 0-1 13: 57 71 85 43 127 84 98 99 141 112 117 56 55 0.859 33.32 39.7 66 77 75 86 226 0.0 0.000 -11.367 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1040 ?? Nonanoic acid 22.8196 1332.7 11.1 scans 55% 60 m/z (70) 0.66% 0.121% 3207 0.3 125 49783 2959620 2755536 1-0 18: 60 73 115 57 129 87 74 41 61 116 45 55 98 43 101 39 96 42 0.932 22.70 -142.6 68 92 85 92 158 10.0 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8344 1363.2 9.6 scans 50% 57 m/z (72) 1.0% 0.0728% 3379 0.9 99 32965 1774118 1539886 2-4 14: 57 71 85 41 84 56 83 113 184 42 98 141 142 140 0.877 23.86 -0.8 86 91 87 90 184 12.1 1.480 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0930 1371.7 7.2 scans 54% 73 m/z 0.16% 0.278% 3423 1.1 240 194275 6784948 6482145 2-3 16: 73 341 429 342 325 343 147 430 431 82 68 326 67 81 96 74 0.653 24.17 -152.1 78 99 88 99 429 74.4 9.640 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5399 1386.6 7.5 scans 52% TIC 0.65% 0.0608% 3499 1.6 122 50162 0.0678% 1483376 1358070 1651639 1-0 0.676 24.54 249.3 76 99 69 97 169 16.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.3769 1414.6 9.2 scans 75% 84 m/z (125) 0.25% 0.163% 3640 1.9 154 130498 3977644 3780683 1-4 17: 84 133 162 161 42 130 119 118 92 163 65 134 82 78 51 63 159 0.911 25.89 257.6 73 95 84 95 162 40.6 6.932 -0.515 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7040 1425.5 8.5 scans 49% 159 m/z (177) 0.37% 0.0724% 3696 0.9 110 88972 1765714 1652194 5-2 12: 159 174 160 129 144 128 89 175 130 73 117 103 0.874 42.45 14.9 61 64 47 64 272 0.0 0.000 -16.742 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0133 1435.9 7.2 scans 7.0% 160 m/z (57 92) 7.7% 0.00340% 3748 1.1 26 4234 0.00355% 82852 82852 86480 0-0 1: 160 0.494 27.08 -186.9 62 96 65 94 160 12.3 22.442 -1.064 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1084 1472.4 7.0 scans 20% 221 m/z 0.73% 0.0618% 3933 0.9 115 45031 1506525 1418442 3-2 19: 221 73 147 281 267 282 443 148 357 268 223 207 191 323 269 205 446 117 283 0.896 27.12 297.5 76 97 83 96 355 23.0 4.001 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 8.1 scans 69% 57 m/z (94) 0.28% 0.172% 3944 1.3 181 117555 0.315% 4204302 3853325 7673544 1-0 20: 57 71 85 43 41 99 56 198 55 70 98 126 113 127 112 42 72 84 69 169 0.989 27.21 -1.4 95 97 96 97 198 24.6 1.842 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6645 1530.5 8.2 scans 92% 43 m/z 0.024% 2.29% 4197 0.8 651 1331131 55825837 51907045 2-8 20: 43 69 41 151 136 107 67 125 93 109 83 53 121 81 39 68 55 108 79 91 0.988 28.67 333.1 80 99 99 99 194 42.3 0.422 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0878 1546.4 7.4 scans 79% 71 m/z (179) 0.13% 0.505% 4269 1.1 311 241360 0.623% 12324637 11670584 15176565 1-0 20: 71 57 43 85 41 70 55 141 56 99 113 112 84 69 183 97 220 42 140 127 0.930 29.09 342.7 68 91 84 93 220 29.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0878 1546.4 7.4 scans 77% 71 m/z (166) 0.13% 0.494% 4269 1.1 308 242555 0.608% 12037532 11398716 14811159 1-0 20: 71 57 43 85 41 70 55 141 56 99 113 112 84 69 183 97 220 42 140 127 0.961 29.10 342.5 71 94 95 94 227 6.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5240 1562.8 8.1 scans 62% TIC 0.15% 0.385% 4343 1.1 271 211315 9397381 8663028 2-1 0.714 29.61 -150.3 77 99 93 98 503 47.0 3.001 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6763 1568.6 >11 scans 46% 84 m/z (123) 0.63% 0.125% 4368 0.9 138 52226 3047177 3047177 0-0 7: 84 143 70 164 175 154 112 0.896 29.68 356.1 68 91 74 93 192 12.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7460 1571.2 16.7 scans 70% TIC 0.12% 0.143% 4380 1.4 189 266477 0.229% 3496503 3496503 5578545 0-0 0.917 29.77 357.2 77 97 88 98 193 17.0 0.816 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8316 1574.4 7.9 scans 17% 105 m/z (97) 2.1% 0.0243% 4395 1.0 67 15575 592023 560265 0-1 18: 105 121 161 94 204 79 93 107 91 133 77 147 80 119 117 108 162 149 0.687 29.85 359.3 67 97 77 95 204 12.3 3.413 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9366 1578.3 9.1 scans 77% 71 m/z (167) 0.14% 0.580% 4413 0.8 286 225299 14153205 12786296 2-2 20: 71 85 57 43 99 113 127 155 55 70 69 41 84 56 86 169 72 83 42 112 0.986 29.94 361.9 76 97 97 100 254 7.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3168 1592.6 8.4 scans 34% 57 m/z (147) 0.85% 0.0555% 4477 1.3 101 38405 0.0729% 1352922 1352922 1775877 0-0 20: 57 71 43 85 41 56 70 99 112 98 182 83 86 141 69 42 100 72 54 179 0.871 30.38 -2.3 88 96 82 91 212 15.0 0.000 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4880 1599.6 7.9 scans 78% 191 m/z 0.049% 0.466% 4506 1.0 303 673607 11356018 10745348 2-3 20: 191 206 192 57 163 175 41 91 115 207 107 73 77 88 161 147 128 119 74 193 0.942 30.50 374.8 80 99 93 99 206 83.7 7.636 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N406_R~1-N1098 ? Olivetol 30.7991 1612.6 9.4 scans 31% 55 m/z (71) 0.90% 0.0729% 4559 1.1 100 36502 1776378 1523042 1-3 15: 55 180 125 81 165 109 82 151 153 96 123 68 181 110 150 0.761 30.81 383.2 74 99 80 98 180 28.7 8.224 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8664 1615.5 9.9 scans 67% 162 m/z (55) 0.39% 0.178% 4570 1.2 159 83877 4338429 4060969 2-2 20: 162 147 161 91 163 77 148 134 105 145 79 119 115 51 50 164 131 144 133 143 0.906 30.88 -0.5 86 90 77 91 204 13.2 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1787 1628.6 9.1 scans 76% TIC 0.18% 0.363% 4623 0.9 263 181654 8861629 8320548 1-0 0.933 31.18 393.6 75 94 87 99 180 53.9 4.212 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5028 1642.2 9.1 scans 73% 43 m/z (197) 0.35% 0.178% 4678 1.2 168 93186 4345149 4067198 1-1 20: 43 98 111 166 55 151 85 82 71 41 57 127 83 123 68 67 69 81 142 126 0.956 31.52 -0.5 96 100 97 99 166 32.5 3.725 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9107 1659.4 8.5 scans 46% 71 m/z (143) 1.4% 0.0780% 4747 0.6 107 23512 1902412 1733860 2-1 18: 71 57 85 43 55 41 69 99 70 113 84 210 111 155 86 42 112 238 0.928 31.92 -0.3 80 87 87 88 219 3.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0542 1665.4 6.5 scans 61% 221 m/z 0.22% 0.185% 4771 1.0 206 149426 4509960 4245924 2-1 20: 221 73 147 222 207 295 341 355 223 325 281 296 267 148 74 297 356 208 343 357 0.867 32.08 -1.0 96 97 92 98 355 35.7 3.014 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2289 1672.7 8.6 scans 61% 57 m/z (197) 0.65% 0.110% 4801 1.4 132 50260 0.118% 2683552 2605263 2874534 5-2 17: 57 71 43 85 183 41 56 99 113 182 42 149 70 100 127 141 211 0.951 32.24 -0.4 86 89 91 92 226 6.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4355 1681.4 10.2 scans 42% 57 m/z (69) 1.0% 0.0913% 4836 0.8 107 30505 0.106% 2224740 1825194 2582209 4-2 19: 57 85 71 43 56 196 197 55 113 99 95 141 169 127 109 96 111 139 165 0.679 32.44 -0.3 82 96 81 94 226 3.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6593 1690.8 8.7 scans 58% 119 m/z (59) 2.8% 0.0861% 4875 1.1 118 11646 2097506 1922178 1-3 19: 119 91 105 93 159 107 43 79 187 220 147 149 146 121 135 131 133 145 134 0.887 32.67 -0.7 92 97 86 97 220 7.7 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9267 1702.0 7.8 scans 55% 71 m/z 0.22% 0.0899% 4919 0.9 133 147518 2191995 2029901 6-6 11: 71 43 159 111 243 72 155 143 89 73 244 0.914 32.93 -0.3 95 96 92 96 243 22.0 2.746 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0802 1708.5 7.2 scans 47% 97 m/z (216) 3.7% 0.0327% 4945 1.1 83 8836 797079 759746 1-1 18: 97 83 55 111 69 70 43 84 56 41 85 67 82 98 125 112 54 96 0.903 33.09 -0.2 90 98 96 98 224 5.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3039 1717.9 7.3 scans 76% 57 m/z 0.27% 0.177% 4983 0.9 197 119578 4329087 3987617 5-1 20: 57 71 43 85 41 55 99 56 70 226 69 113 84 42 112 98 83 140 58 141 0.947 33.37 -2.9 96 98 94 97 226 22.6 1.320 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8925 1728.2 7.4 scans 40% 71 m/z (233) 1.9% 0.0284% 5083 0.9 75 16575 693227 630957 3-1 18: 71 57 43 85 70 197 196 41 72 99 55 127 124 113 56 42 140 98 0.785 33.90 -0.1 85 98 86 95 197 15.1 4.108 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N407_R~1-N1132 ?? Longifolenaldehyde 34.0820 1730.9 8.6 scans 21% 121 m/z (57) 2.9% 0.0349% 5115 1.3 71 11062 852552 661946 8-8 15: 121 95 135 191 155 93 119 137 133 79 65 136 151 177 110 0.621 34.14 451.7 68 96 65 93 220 12.5 0.000 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2661 1733.6 6.6 scans 23% 57 m/z (173) 2.9% 0.0126% 5146 1.0 54 11054 309130 303624 1-0 14: 57 71 210 182 98 211 85 43 41 70 141 69 72 196 0.788 34.27 -0.0 82 92 81 89 211 11.3 4.394 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3511 1734.8 9.0 scans 94% 355 m/z 0.018% 4.45% 5161 1.1 858 1781503 108429547 102079108 2-3 20: 355 73 147 281 356 357 282 222 402 415 74 267 403 283 207 148 223 358 416 75 0.992 34.39 451.8 80 100 99 100 415 103.2 1.448 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7337 1740.3 10.2 scans 86% TIC 0.052% 0.952% 5225 0.6 376 634490 23211769 21563323 2-4 0.951 34.79 451.3 80 99 94 99 199 109.1 8.426 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8937 1742.6 >17 scans 30% 68 m/z (57) 1.8% 0.0448% 5252 0.9 84 17788 1092320 1030292 1-3 3: 68 69 153 0.856 34.90 -0.1 89 99 88 97 224 12.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5135 1765.7 7.5 scans 64% 221 m/z 0.18% 0.320% 5527 1.1 251 179712 7801075 7127420 2-3 20: 221 73 147 207 295 281 222 369 341 223 296 148 282 208 74 355 327 209 280 342 0.945 36.58 449.2 78 99 94 99 369 40.1 2.540 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1942 1775.5 8.4 scans 64% 209 m/z 0.19% 0.204% 5642 1.1 193 165379 4991504 4642341 2-3 20: 209 224 181 165 210 167 178 105 179 166 194 103 77 115 91 152 193 117 182 89 0.899 37.20 449.2 79 99 88 99 224 63.5 10.837 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0519 1787.7 8.0 scans 50% 57 m/z 0.81% 0.0537% 5788 0.9 107 40605 1308720 1170225 2-2 19: 57 71 85 43 225 56 41 99 55 113 127 141 69 70 83 112 98 84 239 0.789 38.06 448.0 72 95 76 92 225 22.9 4.561 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5620 1795.0 9.4 scans 93% 73 m/z 0.026% 2.80% 5874 1.1 665 1230184 68375618 64397855 2-3 20: 73 429 147 221 355 281 341 207 356 401 357 74 148 282 295 267 325 223 222 283 0.980 38.59 446.9 80 100 98 100 429 196.2 8.693 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8264 1798.8 10.3 scans 52% 57 m/z (239) 0.96% 0.0765% 5918 0.7 104 34069 1864163 1726959 2-2 16: 57 85 43 71 41 56 99 254 70 69 98 140 196 100 107 154 0.912 38.91 -1.2 91 98 90 95 254 11.1 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8371 1914.9 13.6 scans 96% 68 m/z 0.014% 16.4% 6090 0.2 1396 2331962 401158343 385016266 1-1 20: 68 95 82 123 69 55 81 57 83 43 67 41 97 71 96 124 111 79 56 85 0.999 39.94 545.8 81 100 100 100 278 85.1 0.372 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9079 1923.7 6.4 scans 61% 58 m/z (243) 0.69% 0.110% 6102 1.1 159 47186 2695565 2459402 0-3 9: 58 43 59 109 110 124 250 137 165 0.963 39.88 555.4 74 98 97 97 250 16.6 1.093 0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3117 1973.8 7.8 scans 64% 149 m/z (99) 0.16% 0.119% 6170 1.1 147 196212 2914225 2629788 2-8 14: 149 150 223 104 76 167 224 65 50 151 132 121 51 77 0.962 40.31 598.9 77 99 96 99 223 31.8 4.699 0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N406_R~1-N1110 ? Phytol 40.3861 1983.0 8.3 scans 22% 81 m/z (147) 2.3% 0.0330% 6183 1.2 70 13937 805384 696707 6-3 11: 81 82 95 123 79 109 124 278 96 279 110 0.578 40.66 -34.2 72 83 45 79 278 11.6 0.000 -0.276 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5892 2008.2 7.4 scans 83% 221 m/z 0.17% 0.336% 6217 1.1 262 193792 8185411 7734630 2-2 20: 221 73 147 295 281 207 222 369 223 296 282 208 148 297 355 74 370 327 283 341 0.957 40.63 628.1 76 94 96 99 369 43.4 2.751 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1254 Phytol 40.8418 2039.5 8.1 scans 40% 95 m/z (55) 1.4% 0.0691% 6261 1.5 105 23116 1685201 1524868 2-2 14: 95 81 82 123 124 68 79 96 109 110 279 53 137 94 0.806 40.87 -3.2 82 87 60 84 278 18.4 3.096 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9935 2058.3 8.4 scans 57% 138 m/z 0.74% 0.0831% 6286 1.1 131 44498 2025968 1930718 1-1 18: 138 109 120 69 121 124 68 83 139 92 65 82 41 93 95 263 67 39 0.919 41.00 672.5 79 99 94 99 262 18.2 1.907 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2374 2088.5 8.0 scans 66% 79 m/z (192) 0.95% 0.121% 6327 1.1 145 34420 2952073 2681956 2-2 18: 79 67 93 80 95 91 81 108 55 121 41 94 77 107 109 122 87 135 0.916 41.26 -2.5 94 99 93 98 264 10.6 0.532 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4268 2112.0 8.6 scans 66% 205 m/z 0.62% 0.205% 6359 1.0 194 52592 5000805 4617008 3-2 20: 205 217 57 175 189 220 177 232 91 55 41 261 176 191 218 192 233 77 276 161 0.827 41.49 -84.6 82 99 80 98 276 14.2 0.000 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6388 2127.7 9.6 scans 74% 69 m/z (43) 0.13% 0.498% 6395 0.7 276 237281 12139432 11431534 5-2 20: 69 93 81 41 133 67 120 79 107 91 95 68 119 55 77 161 53 105 134 109 0.937 41.75 730.2 76 99 92 98 272 13.3 0.000 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9936 2147.7 7.8 scans 85% 74 m/z 0.093% 0.548% 6455 1.1 327 353279 13363547 12672850 2-2 20: 74 87 43 143 55 75 227 41 69 57 239 129 59 270 83 185 88 97 199 171 0.943 42.01 745.7 79 99 94 98 272 8.5 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3295 2166.5 7.6 scans 85% 73 m/z 0.13% 0.425% 6512 1.0 289 247999 10358058 9677137 2-3 20: 73 147 281 221 355 429 503 207 341 282 327 222 504 356 283 148 74 415 505 295 0.950 42.37 757.5 75 94 94 98 503 49.5 2.929 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.6476 2184.4 12.6 scans 21% 91 m/z (149) 10% 0.0222% 6566 1.3 54 3127 542695 535195 0-1 20: 91 117 71 93 80 229 79 41 81 96 94 227 137 55 83 113 131 69 105 120 0.563 42.40 14.0 69 84 46 79 272 3.7 0.000 0.249 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1248 ? Diterpene 42.9min RI2199 42.8720 2197.0 9.2 scans 10% 148 m/z (115) 9.2% 0.00418% 6604 0.9 26 3576 101957 91824 4-0 9: 148 190 133 243 119 131 147 121 120 0.360 42.90 -1.7 75 90 40 84 272 5.4 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN HCMIX_~1-N1020 ? Icosane 43.8572 2252.3 11.3 scans 39% 57 m/z (177) 1.9% 0.0389% 6771 1.4 71 17100 949288 867997 4-3 18: 57 221 192 55 69 239 81 161 112 117 42 56 159 109 120 111 268 217 0.726 43.94 -4.4 72 92 74 88 282 5.3 0.000 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1234 ? Thunbergol 45.1625 2327.3 8.7 scans 36% 81 m/z (99) 9.5% 0.0217% 6992 1.2 51 3449 529568 441601 2-5 20: 81 134 135 137 136 98 57 257 83 123 41 82 43 97 161 96 94 77 138 133 0.561 44.90 15.1 75 85 50 80 272 4.4 0.000 0.261 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7817 2362.9 7.9 scans 80% 73 m/z (323) 0.32% 0.192% 7097 1.1 188 100518 4697992 4418228 2-2 20: 73 355 147 221 281 356 357 207 429 222 341 74 148 282 283 415 327 503 265 191 0.910 45.78 0.3 95 98 89 97 503 18.8 1.004 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1011 2381.3 8.2 scans 72% 79 m/z (222) 0.87% 0.123% 7151 1.0 146 37644 3017098 2733274 2-5 19: 79 93 95 67 80 108 81 55 41 91 94 121 107 77 135 59 122 261 78 0.916 46.13 -1.9 93 98 93 98 292 10.3 0.495 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4210 2399.7 8.8 scans 32% 177 m/z (191) 3.1% 0.0211% 7205 1.0 58 10585 515529 461647 4-4 7: 177 195 138 290 176 196 178 0.717 46.49 -4.3 89 94 65 91 290 10.1 0.000 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7558 2419.0 8.2 scans 35% 74 m/z (180) 3.8% 0.0122% 7262 1.3 46 8667 297667 278429 3-4 13: 74 87 199 255 143 298 75 213 269 90 267 246 299 0.712 46.76 923.9 66 95 71 91 298 10.2 4.878 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1026 ?? Methyl stearate 46.7569 2419.0 9.5 scans 21% TIC 3.7% 0.00574% 7262 1.1 36 8908 140022 138667 2-0 0.484 45.92 940.3 63 90 45 86 298 9.7 7.225 0.837 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5019 2461.9 8.4 scans 33% 138 m/z (95) 5.9% 0.00831% 7388 1.3 38 5515 202433 192639 1-3 6: 138 120 121 168 122 306 0.638 47.50 949.1 70 97 64 93 168 5.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9229 2543.7 8.3 scans 75% 73 m/z 0.52% 0.114% 7629 1.1 142 63395 2784366 2625480 2-4 20: 73 147 221 355 429 281 356 207 430 431 267 357 222 282 74 284 295 415 149 327 0.834 48.95 993.3 72 94 85 99 429 39.5 7.672 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 54.6113 2871.0 9.7 scans 65% TIC 1.2% 0.0529% 8593 1.4 92 27216 1288744 1192747 2-1 0.766 51.86 1240.1 75 98 76 96 503 12.4 1.785 2.753 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 61.6457 3277.0 12.6 scans 34% 221 m/z (133) 6.4% 0.0123% 9784 1.9 37 5095 299821 273316 2-0 9: 221 356 222 148 295 341 342 355 505 0.548 45.81 1800.5 66 96 61 92 503 6.7 0.000 15.834 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0707 770.2 8.4 scans 71% TIC 0.096% 0.188% 31 3.1 191 339400 4239198 3801969 1-4 0.853 4.37 16.2 100 100 98 100 77 164.2 74.068 -0.300 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5849 835.7 15.7 scans 68% 207 m/z 0.47% 0.0788% 458 3.0 94 69577 1775038 1608202 2-2 20: 207 208 191 209 165 103 89 177 192 147 163 149 161 135 176 115 210 164 211 82 0.812 6.53 -141.1 80 100 81 99 207 74.4 61.991 0.057 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6847 864.3 9.1 scans 66% 83 m/z 3.2% 0.0337% 644 2.9 75 10001 759443 703115 1-2 15: 83 41 55 69 39 70 53 43 51 56 57 54 38 68 63 0.817 7.71 9.0 97 98 81 97 98 19.0 6.458 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKSTART-N1002 Contamination 12.22min 13.1417 1006.7 >17 scans 10% 284 m/z (177) 2.3% 0.0128% 1567 999.0 53 14167 0.101% 288402 259951 2274111 0-1 8: 284 250 283 235 192 203 208 282 0.159 12.22 60.4 80 96 64 96 281 33.6 39.668 0.922 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.4924 1016.2 9.9 scans 77% TIC 0.37% 0.111% 1627 2.2 135 86828 2510831 2248720 3-2 0.912 13.22 52.6 88 96 88 98 110 41.2 9.274 0.270 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1022 ? Octanal 13.7138 1022.2 7.7 scans 79% 57 m/z (59) 1.3% 0.106% 1665 1.3 144 23443 2407836 2085128 2-6 19: 57 43 41 84 56 55 44 69 82 68 42 67 39 85 100 81 95 72 71 0.979 12.96 -152.6 77 97 97 100 110 15.0 1.084 0.759 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1016 Limonene 14.5762 1045.5 8.0 scans 87% 68 m/z 0.23% 0.338% 1811 1.2 265 140932 7632751 7065108 2-3 20: 68 93 67 79 94 121 136 92 107 91 77 53 39 80 41 81 108 95 65 105 0.945 13.89 70.2 87 99 94 99 136 54.2 4.176 0.684 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.7327 1049.8 10.6 scans 85% 79 m/z 0.22% 0.358% 1837 1.9 231 147407 8071371 7381017 2-3 20: 79 108 107 77 51 91 78 50 89 65 63 109 39 52 74 53 80 90 105 62 0.981 14.11 70.8 88 100 98 100 108 103.3 19.924 0.624 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 15.0591 1058.6 9.3 scans 90% 91 m/z 0.076% 0.423% 1892 1.5 266 425466 9540683 8656097 2-4 20: 91 92 120 65 63 89 39 51 62 50 121 90 64 38 74 61 52 87 86 76 0.987 14.44 73.8 87 99 98 100 120 86.4 10.519 0.617 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.5574 1072.1 8.1 scans 44% 70 m/z 2.3% 0.0247% 1977 1.5 78 13705 556643 527526 1-1 16: 70 55 83 41 57 69 39 42 93 97 68 67 58 82 84 111 0.744 18.83 19.4 71 77 58 75 122 0.0 0.000 -3.273 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.7168 1076.4 11.7 scans 89% 105 m/z 0.068% 0.682% 2004 1.3 328 475055 0.971% 15366102 14438032 21862992 2-0 20: 105 77 123 51 46 106 50 78 124 74 76 75 52 79 94 39 297 49 38 53 0.982 15.17 79.0 85 100 98 100 123 117.2 12.772 0.547 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN 98-86-2 ? Acetophenone 15.7947 1078.5 >12 scans 79% TIC 0.11% 0.333% 2017 1.4 247 281973 0.788% 7501575 7007932 17742573 0-2 0.980 15.29 -167.2 79 99 97 99 120 78.1 9.987 0.502 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1002 Undecane 17.0019 1117.5 7.9 scans 56% 57 m/z 1.2% 0.0407% 2222 1.2 97 26077 918089 815113 2-1 15: 57 71 43 41 85 93 55 70 56 98 156 39 127 99 80 0.805 16.59 17.5 88 95 85 93 156 13.2 1.847 0.415 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1666 1124.5 8.1 scans 88% 57 m/z 0.19% 0.548% 2250 1.1 335 170364 12339974 10941627 4-5 20: 57 41 56 55 43 98 44 70 69 82 68 81 96 95 39 67 42 71 54 114 0.982 16.82 -166.9 79 98 97 98 124 21.1 0.000 0.352 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.3608 1132.7 >11 scans 41% TIC 2.1% 0.0215% 2282 1.5 77 14872 0.0532% 484360 456394 1197849 1-0 0.622 16.97 108.0 66 94 75 96 128 17.6 5.180 0.393 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.4334 1135.8 10.6 scans 40% 91 m/z 0.71% 0.0517% 2295 1.5 88 45557 1166133 1048307 6-1 10: 91 92 122 65 93 90 63 135 103 75 0.821 17.05 109.8 76 99 83 98 122 32.5 13.664 0.381 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN M4942-N1008 ? Phenylethyl Alcohol 17.4346 1135.8 21.5 scans 49% TIC 0.68% 0.0621% 2295 1.2 97 47919 0.0857% 1399258 1304019 1929617 0-2 0.682 17.89 -188.4 74 97 88 97 122 33.2 11.637 -0.454 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3449 1174.3 8.8 scans 69% 73 m/z 0.45% 0.104% 2449 1.3 141 72226 2345815 2191723 2-2 20: 73 355 267 268 357 269 251 74 356 193 191 249 155 179 75 59 223 341 270 170 0.842 18.13 -157.4 79 99 84 98 355 59.5 17.890 0.214 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1018 ?? Pyranone 18.4919 1180.5 9.1 scans 40% 144 m/z (70 282) 4.5% 0.0176% 2474 1.2 55 7137 396618 356357 2-3 6: 144 101 44 72 135 145 0.850 18.22 137.0 64 91 85 94 144 23.0 17.429 0.271 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN M4942-N1002 ?? Pyranone 18.4919 1180.5 9.1 scans 35% 144 m/z (70) 3.7% 0.0154% 2474 1.2 52 8712 347557 312277 2-3 6: 144 101 44 72 135 145 0.824 20.04 -210.0 69 95 79 96 144 23.6 20.918 -1.550 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.5279 1182.0 9.3 scans 13% 282 m/z (144) 9.2% 0.00662% 2480 2.2 34 3537 149149 147485 0-2 5: 282 97 265 191 123 0.365 12.25 28.9 67 84 2 77 281 17.6 0.000 6.277 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.9878 1201.4 8.9 scans 41% 82 m/z (103) 8.4% 0.0131% 2558 1.0 53 3853 296103 296103 0-0 15: 82 98 111 69 41 97 43 125 126 107 110 70 84 54 83 0.857 18.71 150.6 64 89 80 95 153 0.0 0.000 0.282 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 20.0291 1245.4 3.8 scans 16% 60 m/z (34) 0.55% 0.0581% 2734 2.3 150 58952 1308181 1200525 1-8 4: 60 73 85 115 0.833 22.03 -63.7 61 75 69 83 175 0.0 0.000 -2.005 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 20.0557 1246.5 6.3 scans 8.2% 105 m/z 0.78% 0.0381% 2739 2.0 102 41817 858386 844767 0-6 6: 105 122 77 106 76 104 0.935 20.03 175.8 73 94 87 94 122 54.3 28.238 0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1034 ? Decanal 20.7115 1269.5 8.1 scans 83% 57 m/z 0.22% 0.555% 2850 0.9 345 144558 12513206 11660019 3-2 19: 57 41 55 43 82 70 71 68 83 44 56 112 67 81 69 96 84 42 39 0.953 20.57 -137.5 79 98 99 99 138 18.8 0.296 0.143 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.1767 1283.4 8.7 scans 81% 137 m/z (88) 0.45% 0.260% 2929 1.0 220 72485 5869776 5456720 2-2 20: 137 152 123 109 81 67 91 79 95 41 93 107 39 119 53 65 55 124 110 108 0.931 21.00 198.1 71 94 79 93 155 0.0 0.000 0.176 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1024 ?? Hexadecane 21.2487 1285.6 >18 scans 17% 43 m/z (74) 5.3% 0.0165% 2943 0.8 48 6147 371515 371515 0-0 7: 43 126 56 265 99 251 42 0.495 33.32 18.6 60 72 65 74 226 0.0 0.000 -12.070 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1042 ? Phytol 21.4264 1290.9 8.4 scans 47% 57 m/z (91) 3.2% 0.0410% 2971 1.2 86 9943 924490 847741 5-4 6: 57 71 95 126 85 96 0.810 35.35 -6.5 79 87 85 87 196 0.0 0.000 -13.921 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1038 ? Contamination 21.56min 21.5675 1295.1 6.9 scans 15% 147 m/z 5.5% 0.00537% 2995 1.1 37 5899 120907 106670 2-4 12: 147 281 73 265 207 370 283 369 282 371 148 208 0.691 21.56 -143.6 71 96 64 93 369 10.5 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.1053 1341.3 >4 scans 85% TIC 0.25% 0.143% 3256 1.7 258 127736 3227679 3015065 0-7 0.979 22.70 -134.0 76 94 93 99 158 16.2 0.396 0.409 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1006 Tridecane 23.9170 1365.8 9.5 scans 48% 57 m/z (99) 1.3% 0.0547% 3393 1.0 93 24135 1232500 1139626 1-3 15: 57 85 71 41 84 56 70 83 184 112 42 98 100 154 54 0.731 23.86 1.8 89 96 83 93 184 11.6 0.000 0.055 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1532 1373.7 7.3 scans 59% 73 m/z 0.15% 0.267% 3433 1.1 249 205122 6017552 5606310 2-4 20: 73 341 429 342 147 325 343 430 431 74 326 207 344 327 75 148 45 251 59 432 0.931 24.17 -150.1 79 99 91 99 429 69.2 7.743 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.6130 1389.1 7.4 scans 64% 71 m/z 0.70% 0.0675% 3511 1.2 133 46188 1521901 1410255 1-2 19: 71 57 85 43 41 84 55 127 70 113 99 56 169 155 72 126 212 42 112 0.880 24.54 251.8 75 98 87 96 169 14.9 0.000 0.071 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2394 1410.0 8.1 scans 30% 43 m/z 0.75% 0.0254% 3617 1.0 72 43129 573241 499810 4-4 11: 43 145 103 85 116 115 146 86 155 104 212 0.617 25.24 -149.9 69 100 86 98 145 26.4 13.347 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1004 ?? Nicotine 25.4696 1417.7 10.5 scans 56% 84 m/z (99) 0.57% 0.0760% 3656 1.7 107 57252 1712881 1553726 2-3 17: 84 162 161 118 133 42 82 92 130 134 117 119 65 64 104 52 51 0.863 25.89 260.7 69 92 73 91 162 29.1 7.431 -0.422 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7736 1427.9 8.5 scans 47% 159 m/z (127) 0.49% 0.0563% 3707 0.8 103 65615 1269401 1176844 3-3 8: 159 174 160 131 144 130 117 175 0.873 42.45 17.3 61 65 46 64 272 0.0 0.000 -16.672 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2046 1475.7 8.1 scans 64% 57 m/z (157) 0.33% 0.135% 3950 1.2 178 97131 0.271% 3050585 2957864 6101824 1-0 19: 57 71 85 43 41 99 198 56 70 55 98 113 126 42 112 72 141 127 199 0.983 27.21 -0.1 93 95 93 95 198 24.2 1.858 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6969 1531.7 8.0 scans 92% 43 m/z 0.024% 2.43% 4203 0.7 719 1344538 54719960 50892084 2-9 20: 43 69 41 151 107 136 67 125 93 109 83 53 121 39 81 68 55 108 79 91 0.994 28.67 334.3 80 99 99 99 194 45.5 0.401 0.030 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5323 1563.1 7.4 scans 60% 73 m/z 0.18% 0.280% 4344 1.1 256 176265 6316447 6002173 1-2 20: 73 281 147 327 282 341 415 163 283 221 148 503 399 74 328 416 329 504 342 325 0.906 29.61 -150.0 79 99 94 99 503 35.5 1.919 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7749 1572.3 15.3 scans 68% TIC 0.13% 0.156% 4385 1.3 202 235061 0.238% 3534642 3358648 5358797 1-0 0.940 29.77 358.3 77 98 89 98 193 16.9 0.695 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8504 1575.1 8.6 scans 14% 148 m/z (196) 3.2% 0.0176% 4399 1.8 58 9949 397771 364615 1-2 15: 148 91 161 133 107 79 93 108 119 189 81 147 94 167 104 0.812 29.85 360.0 67 95 71 92 204 9.5 2.661 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9549 1579.0 8.6 scans 76% 71 m/z 0.14% 0.481% 4416 0.7 306 222653 10833401 10063260 1-2 20: 71 85 57 43 99 113 41 69 55 127 155 70 84 56 83 169 126 42 111 86 0.929 29.94 362.6 77 99 95 98 254 8.1 0.070 0.014 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3328 1593.2 >9 scans 42% TIC 0.75% 0.0264% 4480 1.1 120 43227 0.0623% 595309 575856 1402744 1-0 0.877 30.38 -1.7 84 87 81 84 212 15.6 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5039 1600.2 7.9 scans 72% 191 m/z 0.061% 0.389% 4509 1.0 296 528542 8762917 8324836 1-3 19: 191 206 192 57 163 74 175 91 115 88 207 107 73 77 128 147 161 133 121 0.938 30.50 375.4 80 99 91 99 206 81.2 7.500 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8280 1613.9 8.5 scans 41% 124 m/z (71) 0.88% 0.0768% 4563 1.0 120 37120 1729368 1583704 3-4 7: 124 137 180 138 54 181 152 0.956 30.81 384.5 76 98 90 99 180 30.2 6.328 0.021 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8806 1616.1 9.9 scans 31% TIC 0.42% 0.0818% 4573 1.0 136 76142 0.113% 1841933 1727756 2544303 0-2 0.414 30.88 0.1 87 90 43 88 204 16.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2005 1629.5 9.0 scans 58% 111 m/z 0.19% 0.301% 4627 0.9 246 167053 6799435 6273475 2-1 20: 111 109 137 43 67 180 110 41 124 152 95 81 69 79 39 77 53 112 165 93 0.818 31.18 394.5 77 98 83 98 180 56.2 5.226 0.023 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5164 1642.8 10.1 scans 59% 43 m/z (119) 0.91% 0.0871% 4680 1.4 121 35792 1961462 1811937 1-1 19: 43 85 98 166 55 111 127 41 126 151 84 83 99 56 82 155 39 67 69 0.907 31.52 0.1 87 92 86 93 166 19.6 2.625 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 8.2 scans 55% 71 m/z (124) 1.3% 0.0817% 4749 0.7 122 24049 1841449 1697079 1-1 20: 71 57 85 83 43 82 55 99 84 69 70 113 56 210 219 112 111 155 127 97 0.949 31.92 0.1 79 86 90 89 219 4.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0630 1665.8 6.6 scans 50% 221 m/z 0.43% 0.0964% 4773 1.1 157 74669 2170678 2087168 1-2 20: 221 73 147 207 222 295 223 341 355 281 296 148 74 325 342 268 208 297 282 209 0.853 32.08 -0.6 96 98 91 97 355 24.6 2.438 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2401 1673.2 8.6 scans 61% 57 m/z (169) 0.67% 0.110% 4803 1.0 147 48279 2478299 2349189 1-0 18: 57 71 43 85 41 183 55 56 70 113 149 97 105 42 72 182 141 127 0.962 32.24 0.1 90 95 94 94 226 7.6 0.267 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4408 1681.6 9.9 scans 26% 57 m/z 1.0% 0.0401% 4837 0.9 95 30028 904287 808209 1-2 17: 57 71 160 56 43 131 197 41 55 113 159 105 42 109 127 54 168 0.503 32.44 -0.1 81 86 51 83 226 4.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1212 ? Hexadecene 32.6073 1688.6 11.1 scans 18% 98 m/z (71) 6.0% 0.0238% 4865 1.1 54 5424 536787 473121 0-3 7: 98 83 70 97 68 154 54 0.807 33.09 -20.1 73 84 57 81 224 0.0 0.000 -0.478 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6787 1691.6 8.6 scans 42% 205 m/z 2.5% 0.0584% 4877 0.9 115 12761 1316099 1217395 1-3 18: 205 119 91 105 159 162 79 145 107 147 134 77 94 121 146 106 202 92 0.705 32.67 0.1 90 93 62 91 220 8.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8676 1699.6 7.6 scans 23% 70 m/z (149) 1.7% 0.0306% 4909 1.5 76 18462 690898 589713 10-3 3: 70 201 202 0.815 32.87 0.1 73 84 78 80 186 1.9 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9343 1702.4 7.9 scans 46% 71 m/z (105) 0.43% 0.0618% 4921 0.6 109 74571 1393607 1282092 2-5 9: 71 43 111 155 159 72 173 244 174 0.923 32.93 0.1 92 96 88 99 243 16.3 2.260 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.4 scans 79% 57 m/z (177) 0.27% 0.239% 4984 0.9 224 119783 5399873 4835661 5-8 19: 57 71 43 85 41 55 99 56 70 113 226 69 42 84 98 112 127 72 141 0.988 33.37 -2.7 97 99 99 99 226 25.4 1.286 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8340 1727.4 7.8 scans 18% 217 m/z 0.87% 0.0206% 5073 1.2 66 37330 464408 423180 3-4 8: 217 232 218 189 87 157 130 173 0.632 33.83 452.7 61 92 47 92 232 33.3 25.385 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 >10 scans 47% TIC 1.5% 0.0287% 5083 1.1 99 21585 0.0639% 647701 586062 1438770 0-2 0.775 33.90 -0.1 85 90 82 93 197 18.2 3.360 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2714 1733.7 7.3 scans 27% 57 m/z (173) 2.4% 0.0190% 5147 0.9 67 13343 429735 429735 0-0 19: 57 71 85 183 211 43 210 98 127 56 41 162 159 212 113 169 141 69 142 0.785 34.27 0.1 83 95 85 92 211 13.5 4.012 0.004 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3570 1734.9 8.6 scans 94% 73 m/z 0.017% 4.04% 5162 0.8 901 1818670 91183798 83871101 2-3 20: 73 355 147 221 357 74 327 402 148 207 283 223 403 385 149 416 133 45 131 341 0.995 34.39 451.9 81 100 99 100 415 98.0 1.184 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7484 1740.5 10.6 scans 82% 91 m/z 0.063% 0.889% 5228 0.6 380 518707 20020316 18281533 3-3 20: 91 155 199 90 65 184 44 92 120 89 137 63 77 106 39 64 200 134 51 109 0.967 34.79 451.5 80 99 96 99 199 107.7 8.023 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9037 1742.7 7.9 scans 37% 68 m/z (71) 1.7% 0.0557% 5254 1.2 107 19042 1255833 1210896 1-3 2: 68 224 0.867 34.90 -0.0 93 98 96 99 224 13.3 1.560 0.003 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9356 1757.5 9.7 scans 38% 91 m/z (85) 1.1% 0.101% 5429 1.5 126 28351 2288200 2147553 1-3 14: 91 97 83 155 184 131 65 92 111 148 67 39 89 109 0.732 35.94 451.1 62 91 54 87 238 6.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5029 1765.6 7.2 scans 31% 221 m/z 0.61% 0.0843% 5525 1.1 143 53171 1899770 1783814 2-2 19: 221 73 147 207 295 222 281 223 369 341 296 74 370 208 197 148 342 209 327 0.786 36.58 449.1 77 99 85 98 369 21.3 2.230 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.3 scans 62% 209 m/z 0.20% 0.211% 5643 1.0 213 160769 4773172 4601072 1-2 20: 209 224 181 210 165 167 178 105 166 179 103 194 225 77 182 91 89 152 115 117 0.902 37.20 449.2 79 99 89 99 224 68.4 10.324 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3890 1778.2 8.7 scans 42% 191 m/z (71) 3.3% 0.0582% 5675 0.9 102 9701 1311443 1182598 3-2 18: 191 121 95 109 79 205 107 123 105 91 137 93 161 131 108 147 133 187 0.801 34.14 499.0 63 88 76 87 220 19.2 3.556 3.253 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0513 1787.7 8.3 scans 58% TIC 0.69% 0.0657% 5787 1.2 134 47247 1479955 1382282 3-1 0.849 38.06 448.0 76 97 84 95 225 26.5 3.921 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5549 1794.9 9.4 scans 93% 73 m/z 0.024% 2.75% 5873 1.2 709 1310662 61934996 58360158 2-3 20: 73 147 221 429 355 281 341 430 207 356 431 222 74 148 401 267 295 223 342 75 0.986 38.59 446.8 80 99 98 99 429 183.6 6.708 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8176 1798.7 11.2 scans 50% 57 m/z (117) 1.1% 0.0771% 5918 0.8 108 29384 1736792 1626776 1-1 18: 57 43 71 41 98 99 254 69 113 100 72 42 86 56 155 111 225 68 0.915 38.91 -1.3 87 94 88 91 254 10.5 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8589 1917.6 15.5 scans 95% 68 m/z 0.014% 19.4% 6094 0.2 1535 2288539 438718024 414364586 0-2 20: 68 82 123 69 55 57 43 81 67 41 97 71 111 110 56 85 70 53 94 138 1.000 39.94 548.5 81 100 100 100 278 88.6 0.334 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9209 1925.3 6.3 scans 60% 58 m/z (119) 0.65% 0.120% 6104 1.3 176 50102 2722788 2415565 1-2 11: 58 43 59 71 85 109 110 124 113 137 165 0.971 39.88 557.0 74 97 96 97 250 17.7 1.008 0.038 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 40.1983 1959.7 8.2 scans 25% 159 m/z (187) 4.7% 0.0182% 6151 1.0 60 6940 410977 365012 3-0 16: 159 119 105 120 133 117 158 183 132 188 147 145 160 92 93 146 0.754 40.24 585.8 69 95 70 93 272 7.4 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.2060 1960.7 >9 scans 24% TIC 4.3% 0.00603% 6152 0.9 61 7529 135891 135891 0-0 0.639 39.14 604.0 69 93 58 91 272 7.6 1.596 1.065 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3176 1974.5 8.0 scans 50% 149 m/z (225) 0.30% 0.0697% 6171 1.0 119 107056 1569861 1426220 2-7 9: 149 150 223 104 76 167 132 50 206 0.948 40.31 599.6 77 99 94 99 223 25.3 4.490 0.013 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1110 Phytol 40.3902 1983.5 7.6 scans 84% 81 m/z 0.18% 0.712% 6184 1.1 400 178248 16046406 14500733 3-5 20: 81 82 95 68 123 57 43 55 79 69 67 83 41 71 96 109 124 97 111 110 0.954 40.66 -33.7 94 97 93 96 278 43.1 1.161 -0.272 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6051 2010.2 >7 scans 46% TIC 1.2% 0.0264% 6220 0.0 107 26059 0.0702% 595423 555117 1580620 1-0 0.935 40.63 630.1 77 96 96 100 369 15.4 2.067 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1254 Phytol 40.8454 2039.9 8.0 scans 81% 82 m/z (197) 0.58% 0.235% 6260 1.3 218 55978 5301812 4973415 1-5 19: 82 95 81 123 68 57 43 96 67 41 71 55 83 79 69 97 124 111 53 0.972 40.87 -2.8 96 99 98 99 278 27.4 1.582 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9988 2059.0 9.0 scans 56% TIC 1.1% 0.0534% 6287 1.3 122 29486 1202627 1166884 1-1 0.929 41.00 673.2 79 99 94 99 262 15.9 1.696 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2421 2089.1 8.6 scans 59% 79 m/z (191) 1.6% 0.0901% 6328 1.0 127 20308 2029909 1815364 4-3 14: 79 67 93 80 91 95 94 107 59 121 77 56 68 135 0.888 41.26 -1.9 91 96 87 95 264 8.8 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5000 2120.0 11.4 scans 92% 205 m/z 0.059% 3.45% 6372 0.3 737 548352 77724699 71969786 2-1 20: 205 217 57 189 220 177 232 191 261 192 109 77 206 161 163 233 67 105 159 149 0.989 41.49 -76.6 86 100 98 100 276 47.6 0.417 0.010 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5626 2123.5 >8 scans 44% 187 m/z (43) 2.8% 0.0447% 6382 1.2 108 11536 0.123% 1008107 961275 2769462 1-0 12: 187 159 272 160 188 273 253 131 112 155 145 118 0.929 41.76 725.8 62 84 73 88 272 20.7 3.681 -0.198 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6382 2127.7 9.6 scans 72% 69 m/z (43) 0.11% 0.653% 6395 0.7 332 273726 14712049 13565973 4-2 20: 69 93 81 41 67 133 79 120 95 91 68 55 119 77 121 53 161 105 109 134 0.962 41.75 730.2 76 99 94 97 272 15.6 0.000 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 41.7391 2133.4 8.6 scans 14% 189 m/z (98) 12% 0.00912% 6412 1.4 43 2591 205336 186375 1-4 19: 189 272 190 105 133 202 117 159 145 273 131 165 257 162 201 203 161 93 146 0.583 41.87 734.0 66 95 59 92 272 12.0 7.813 -0.131 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9912 2147.5 7.7 scans 82% 74 m/z 0.11% 0.486% 6455 1.0 330 296129 10952037 10380678 2-2 20: 74 87 43 55 143 75 41 227 270 57 69 59 239 129 83 88 101 171 97 185 0.927 42.01 745.5 79 99 93 99 272 8.1 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3283 2166.4 8.0 scans 83% 73 m/z 0.18% 0.289% 6512 1.1 249 174977 6511954 6179954 2-3 20: 73 147 281 221 355 207 429 341 503 222 74 148 356 295 430 504 283 357 282 327 0.946 42.37 757.4 78 98 96 100 503 33.9 1.855 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3088 2221.5 14.5 scans 36% 263 m/z (187) 1.6% 0.0401% 6678 1.3 68 20292 904924 850032 2-1 19: 263 111 124 157 264 144 115 235 110 57 87 173 161 265 77 105 131 185 278 0.652 43.31 0.1 75 79 40 77 278 20.7 9.369 0.002 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8466 2251.7 7.8 scans 47% 71 m/z (177) 2.8% 0.0288% 6769 1.2 75 11599 650367 580668 2-4 18: 71 57 85 43 127 239 267 197 113 141 41 55 126 72 70 84 53 128 0.872 43.94 -5.0 66 70 80 84 282 3.8 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7817 2362.9 7.3 scans 56% 73 m/z 0.86% 0.0535% 7097 1.0 111 37964 1205331 1135347 2-2 20: 73 355 147 221 281 357 341 295 148 207 282 222 223 74 429 283 461 267 503 131 0.828 45.78 0.3 93 94 78 93 503 9.4 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0940 2380.9 8.1 scans 77% 79 m/z (98) 0.91% 0.128% 7149 1.2 161 35872 2902845 2685274 2-5 20: 79 67 95 80 108 81 55 41 91 107 94 121 77 122 135 87 109 78 74 68 0.942 46.13 -2.3 93 97 94 98 292 11.1 0.481 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6708 2471.6 7.6 scans 24% 295 m/z 7.5% 0.00414% 7417 1.1 31 4325 0.00422% 93277 91433 95017 3-1 9: 295 73 147 221 369 341 282 148 296 0.561 44.32 1024.3 68 98 54 92 369 8.6 0.000 3.351 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9223 2543.7 7.9 scans 68% TIC 1.6% 0.0273% 7629 1.2 80 19742 616440 573965 3-4 0.837 48.95 993.3 76 100 85 98 429 20.1 6.333 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8385 2711.4 8.0 scans 55% 73 m/z 2.1% 0.0199% 8123 1.1 64 14962 448372 400730 3-3 18: 73 221 147 355 281 295 429 148 223 222 356 342 503 74 369 279 191 325 0.707 51.86 1080.5 71 94 67 91 503 8.6 1.792 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\GLAU_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6095 2870.9 9.6 scans 41% TIC 2.8% 0.0143% 8592 1.4 52 11525 323807 297354 1-2 0.552 45.81 1394.4 71 96 54 93 503 6.7 0.000 8.797 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2585 775.1 >27 scans 51% 77 m/z (47) 0.40% 0.0505% 63 1.1 110 123516 4490344 4261076 1-1 8: 77 45 53 61 82 46 72 83 0.924 4.37 21.1 97 99 98 100 77 94.4 73.309 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5514 834.8 19.1 scans 67% 207 m/z 0.42% 0.0355% 451 2.9 118 116852 3159317 2997216 1-1 20: 207 208 209 191 133 177 163 104 192 119 147 88 115 89 194 134 161 193 73 75 0.829 6.53 -142.0 80 100 83 99 207 91.9 60.737 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6541 863.5 8.5 scans 92% 55 m/z 0.21% 0.224% 638 2.0 373 229178 19965351 17985800 1-4 20: 55 41 69 83 39 42 57 98 70 56 97 43 80 53 54 40 79 68 51 38 0.993 7.71 8.2 100 99 98 100 98 74.6 3.998 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1018 ?? Pyranone 12.0343 977.6 11.9 scans 17% 144 m/z (70) 11% 0.00190% 1380 3.1 31 4414 0.00241% 169269 169269 214258 0-0 1: 144 0.711 18.22 -65.9 64 87 52 86 144 15.2 23.319 -6.187 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2233 982.5 13.5 scans 43% 281 m/z 0.42% 0.0383% 1412 2.6 130 117441 3411846 3102027 2-1 20: 281 282 283 265 249 133 191 193 71 176 58 72 266 73 93 251 207 209 177 250 0.715 12.22 36.2 93 100 87 99 281 92.1 50.410 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6731 994.2 17.5 scans 55% TIC 0.59% 0.0253% 1488 1.1 137 84018 0.0378% 2256820 2256820 3360562 0-0 0.948 13.22 30.6 93 95 92 99 110 38.0 7.654 -0.549 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.3113 1038.3 13.9 scans 30% 77 m/z (53) 1.8% 0.0216% 1766 0.6 95 27505 1921846 1624143 4-1 20: 77 108 51 78 75 62 39 38 90 76 65 80 109 45 69 52 63 105 96 106 0.909 14.11 59.3 84 96 88 98 108 41.3 18.990 0.202 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4488 1042.1 10.1 scans 91% 91 m/z 0.027% 0.493% 1789 1.4 521 1811717 43853033 39280663 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 121 93 64 66 38 74 52 61 41 0.990 14.44 57.3 91 100 100 100 120 169.4 10.588 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1790 1061.9 >10 scans 80% TIC 0.12% 0.118% 1913 0.7 281 388255 10510521 9971719 2-0 0.978 15.17 64.5 89 100 97 100 123 97.3 11.983 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2269 1063.1 >18 scans 14% 94 m/z (123) 0.46% 0.0581% 1921 1.0 145 107412 0.0852% 5173105 4938229 7574601 2-0 4: 94 109 66 297 0.925 16.11 -207.1 73 95 81 96 109 81.4 31.705 -0.882 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN 98-86-2 ? Acetophenone 15.2764 1064.5 9.5 scans 75% 105 m/z 0.027% 0.546% 1929 1.0 605 1828465 48571505 44060651 2-4 19: 105 77 120 51 50 106 78 74 121 76 63 75 91 52 65 62 38 89 73 0.982 15.29 -181.2 79 98 94 99 120 215.4 12.683 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4317 1068.7 8.9 scans 61% 95 m/z 0.14% 0.117% 1956 1.6 286 341875 10474346 9841372 1-4 17: 95 81 124 79 43 53 109 39 41 82 65 96 66 67 125 40 123 0.920 15.43 67.0 85 96 87 96 124 89.4 9.780 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1002 Undecane 16.6082 1100.9 >8 scans 42% TIC 2.9% 0.00407% 2155 0.5 68 16856 362033 328789 0-1 0.707 16.59 0.9 82 89 61 87 156 9.3 1.849 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7753 1108.0 8.5 scans 78% 57 m/z (139) 0.64% 0.0703% 2183 1.2 210 77394 6251890 5505331 4-4 16: 57 41 56 55 44 70 98 82 69 68 96 95 67 83 54 71 0.982 16.82 85.6 79 97 97 98 124 8.2 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9642 1115.9 19.4 scans 57% TIC 0.50% 0.0505% 2215 1.6 180 98996 0.0673% 4496182 4265409 5983223 6-0 0.727 16.97 91.2 78 99 91 99 128 43.4 5.777 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.1927 1125.6 10.0 scans 65% 91 m/z 0.42% 0.0310% 2254 1.0 142 118507 2757513 2475495 1-5 18: 91 92 122 65 63 52 93 89 77 51 78 103 80 39 50 123 137 62 0.927 17.05 99.6 78 98 89 99 122 48.3 11.584 0.141 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.0841 1163.2 8.8 scans 71% 73 m/z (253 359) 0.32% 0.0628% 2405 1.7 200 153540 5591043 5214473 2-3 20: 73 355 267 356 357 269 251 179 74 193 268 249 270 191 339 358 75 323 59 45 0.908 18.09 121.6 72 96 88 97 355 86.9 18.832 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0841 1163.2 8.8 scans 73% 73 m/z 0.30% 0.0626% 2405 1.7 204 163311 5569603 5194478 2-3 20: 73 355 267 356 357 269 251 179 74 193 268 249 270 191 339 358 75 323 59 45 0.898 18.13 -168.5 80 100 88 99 355 86.1 17.809 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1018 Contamination 12.25min 18.4743 1179.7 8.5 scans 12% 281 m/z (112) 8.1% 0.00112% 2471 1.7 27 6122 99813 86681 3-0 8: 281 282 207 73 193 265 283 191 0.530 12.25 26.6 82 92 52 91 281 21.0 60.905 6.223 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7063 1189.5 19.7 scans 3.8% 145 m/z 2.2% 0.0116% 2511 1.3 101 22453 0.0230% 1035613 1008654 2044787 3-0 20: 145 98 111 82 69 127 125 41 39 70 108 95 83 91 114 102 112 93 106 67 0.745 18.71 138.7 68 90 66 91 153 5.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN M4942-N1002 Pyranone 18.7771 1192.5 19.9 scans 93% TIC 0.054% 0.954% 2522 0.2 598 920092 84854845 78137986 1-7 0.993 20.04 -198.0 80 99 98 99 144 254.1 18.048 -1.265 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1331 1207.6 8.7 scans 43% 82 m/z 1.5% 0.00879% 2582 1.2 81 33026 781517 700408 1-4 9: 82 81 39 54 53 83 97 94 38 0.845 19.12 150.5 76 99 87 99 97 12.7 2.479 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2559 1212.7 9.9 scans 22% 119 m/z (41) 4.1% 0.00430% 2603 1.0 50 11996 382485 354389 3-1 3: 119 134 89 0.886 13.76 13.2 73 76 67 78 134 18.6 13.905 5.499 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8863 1239.4 8.9 scans 80% TIC 0.20% 0.116% 2710 0.6 271 247290 10373949 9447462 2-2 0.948 19.81 171.9 79 98 95 100 144 6.5 0.000 0.072 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1004 ? Dodecane 20.3149 1257.5 11.7 scans 17% 71 m/z (142) 3.4% 0.00772% 2783 1.7 62 14368 686763 613332 1-2 14: 71 57 43 94 59 118 99 70 84 144 98 126 170 141 0.846 20.32 -0.2 70 78 66 83 170 7.9 1.588 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1034 ? Decanal 20.5257 1263.9 8.6 scans 56% 57 m/z 1.2% 0.0354% 2819 0.8 157 41233 3147316 2876997 3-3 17: 57 55 41 70 82 71 68 44 56 83 67 112 81 96 42 54 72 0.817 20.57 -143.1 77 98 81 96 138 8.5 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9944 1277.9 8.6 scans 77% 137 m/z 0.64% 0.0616% 2898 1.1 214 78067 5485069 4977652 2-3 20: 137 152 123 109 67 81 91 77 41 95 93 107 55 39 119 65 53 69 153 79 0.927 21.00 192.6 70 90 78 90 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1006 ? Arosol 21.1544 1282.7 9.6 scans 81% TIC 0.11% 0.130% 2925 1.6 279 444531 11569486 10800713 2-2 0.951 20.98 197.7 78 97 92 99 152 0.0 0.000 0.171 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1266 ?? Octanoic acid 21.4318 1291.1 17.4 scans 49% 60 m/z (117) 1.5% 0.0343% 2972 1.2 107 33041 3052181 2724053 1-2 18: 60 41 85 56 43 73 115 74 87 57 83 42 101 129 70 128 102 61 0.919 22.03 -18.0 68 70 72 75 175 0.0 0.000 -0.602 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1030 ? Contamination 21.50min 21.4619 1292.0 6.6 scans 5.7% 147 m/z 7.1% 0.00144% 2977 1.4 36 6963 128327 118497 5-3 7: 147 282 369 283 249 370 265 0.450 21.50 199.2 72 96 52 94 369 11.3 9.701 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4619 1292.0 6.6 scans 17% 147 m/z (61) 4.5% 0.00442% 2977 1.4 62 11120 393201 363080 5-3 7: 147 282 369 283 249 370 265 0.768 21.56 -146.7 67 91 50 96 369 11.2 3.231 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0086 1308.4 8.4 scans 13% 175 m/z (281) 2.2% 0.00366% 3070 1.0 51 22108 325526 299497 2-4 4: 175 164 129 159 0.775 22.01 208.0 66 96 67 95 190 16.1 9.973 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 22.2341 1315.1 >24 scans 36% 122 m/z (151) 1.8% 0.0232% 3108 1.3 84 27609 2063564 1910577 1-1 6: 122 106 74 37 159 85 0.812 20.03 244.4 70 93 87 96 122 41.9 24.784 2.205 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 22.5098 1323.4 9.1 scans 35% 57 m/z (133) 4.2% 0.00844% 3154 1.6 72 11719 750874 683668 0-2 15: 57 71 43 84 56 97 99 41 141 70 86 155 137 68 96 0.884 33.32 56.4 67 82 85 86 226 0.0 0.000 -10.809 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9501 1336.6 10.1 scans 50% 43 m/z 0.41% 0.0512% 3229 0.6 174 121389 4552257 4115779 3-1 19: 43 69 109 71 86 85 57 41 110 127 128 70 55 56 39 99 68 113 95 0.661 22.91 223.0 75 98 76 96 127 29.6 2.888 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.8398 1363.3 8.9 scans 28% 57 m/z (123) 3.8% 0.00710% 3380 1.3 65 13000 631758 575758 4-2 9: 57 43 85 41 105 70 84 98 127 0.641 23.86 -0.7 74 90 79 89 184 7.8 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.1160 1372.5 7.4 scans 82% 73 m/z 0.10% 0.171% 3427 1.0 379 499488 15256769 14293629 2-2 20: 73 341 429 342 147 325 430 431 74 207 75 59 432 251 45 191 311 267 193 295 0.944 24.17 -151.3 80 100 94 99 429 109.4 8.328 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 24.4100 1382.3 16.2 scans 80% TIC 0.12% 0.436% 3477 0.3 428 407106 38785703 31974727 0-5 0.969 22.70 -93.0 77 94 92 99 158 28.1 0.430 1.714 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1032 ? Dodecane 24.5895 1388.3 7.9 scans 38% 71 m/z (96) 2.3% 0.0106% 3507 1.1 90 21468 943356 913691 1-2 13: 71 57 85 43 84 99 70 113 127 155 126 112 86 0.948 20.36 -11.9 72 76 86 85 170 4.0 0.000 4.231 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 24.5895 1388.3 7.9 scans 37% 71 m/z (94) 2.2% 0.0102% 3507 1.1 88 22457 909950 881335 1-2 13: 71 57 85 43 84 99 70 113 127 155 126 112 86 0.896 24.54 251.0 68 95 93 94 169 8.3 0.885 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.9620 1400.7 10.5 scans 63% 43 m/z 0.67% 0.0398% 3570 1.0 164 74058 3539151 3312390 3-1 19: 43 83 55 41 85 82 56 142 58 71 70 113 69 57 111 39 68 93 127 0.921 24.70 261.1 71 91 85 97 170 6.2 0.000 0.266 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.4124 1415.8 >9 scans 0.96% 145 m/z (163) 0.66% 0.0352% 3646 0.1 143 75493 3133006 2847779 1-0 9: 145 184 98 109 164 125 126 99 137 0.856 25.24 -144.1 64 88 80 94 145 70.7 24.335 0.170 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1004 Nicotine 25.6450 1423.6 >29 scans 96% TIC 0.0067% 13.7% 3686 0.5 1794 7393616 1223706096 1210428887 0-1 1.000 25.89 266.6 80 99 99 100 162 529.1 8.697 -0.247 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N406_R~1-N1090 ?? UNK 42.45min 25.8209 1429.4 8.7 scans 12% 159 m/z (85) 1.5% 0.00835% 3715 0.8 74 32065 743109 686436 2-2 5: 159 174 160 144 112 0.509 42.45 18.8 65 75 53 73 272 0.0 0.000 -16.625 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0978 1472.1 6.4 scans 49% 73 m/z 1.0% 0.0144% 3932 1.0 119 48142 1285698 1165707 2-2 20: 73 221 147 281 222 355 223 148 282 74 356 267 283 268 191 149 443 207 357 75 0.860 27.12 297.2 77 98 83 96 355 22.5 3.589 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1704 1474.5 7.8 scans 66% 57 m/z (154) 0.60% 0.0390% 3944 1.1 169 82596 0.0601% 3473901 3221574 5343116 2-0 17: 57 71 85 43 41 56 99 55 70 198 42 98 112 113 126 72 127 0.976 27.21 -1.3 93 96 95 97 198 18.8 1.229 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9561 1503.9 10.9 scans 75% 118 m/z 0.096% 0.269% 4077 1.7 387 518980 23933316 22381118 1-3 20: 118 146 145 105 78 119 91 51 147 104 77 65 42 117 63 39 50 64 89 76 0.894 27.93 317.2 78 99 93 99 146 166.0 18.391 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6628 1530.5 7.8 scans 80% 43 m/z 0.083% 0.225% 4197 0.9 429 597812 20043979 18770023 2-9 20: 43 69 41 151 136 107 125 67 93 109 83 53 81 121 68 39 55 79 108 77 0.941 28.67 333.1 79 99 94 98 194 26.3 0.377 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0943 1546.7 7.5 scans 70% 71 m/z (73) 0.20% 0.137% 4270 1.1 319 241847 0.160% 12250785 11081238 14224603 8-0 20: 71 57 43 85 41 70 55 56 141 113 99 112 84 69 97 183 42 140 177 127 0.948 29.10 342.8 74 98 95 97 227 5.0 0.024 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5182 1562.6 7.5 scans 57% 73 m/z 0.092% 0.221% 4342 0.9 428 539950 19648186 18667516 2-2 20: 73 281 147 327 282 415 341 283 503 221 328 148 74 416 504 329 325 207 417 149 0.959 29.61 -150.5 79 99 95 99 503 67.3 2.472 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7714 1572.1 7.9 scans 69% 123 m/z 0.050% 0.183% 4385 1.1 383 995261 16339727 15066043 1-3 18: 123 43 135 124 91 107 95 79 109 77 81 97 39 93 53 67 125 105 0.912 29.77 358.1 79 99 91 99 193 30.9 0.651 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9391 1578.4 8.7 scans 73% 71 m/z (183) 0.21% 0.142% 4413 0.8 292 233940 0.155% 12641953 12177996 13780084 1-0 18: 71 85 57 43 99 113 127 69 70 84 155 55 56 169 86 72 42 112 0.982 29.94 362.0 75 96 95 99 254 7.9 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1687 1587.1 7.7 scans 44% 57 m/z (132) 0.73% 0.0349% 4452 1.1 166 68570 0.0534% 3110061 3110061 4747461 0-0 20: 57 85 71 43 99 55 127 41 113 84 56 70 183 98 69 155 141 169 83 197 0.940 30.38 -7.8 80 83 92 83 212 0.0 0.000 -0.208 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5058 1600.3 7.9 scans 86% 191 m/z 0.028% 0.367% 4509 1.0 541 1760238 32669239 31266854 1-3 20: 191 206 192 57 74 163 175 41 91 115 73 107 88 77 207 128 147 161 105 117 0.977 30.50 375.5 80 100 98 100 206 142.1 6.903 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8765 1615.9 9.6 scans 49% 162 m/z (129) 0.40% 0.0890% 4572 1.0 230 122534 7912409 7203300 2-2 19: 162 147 104 51 77 91 119 78 79 133 134 165 65 50 53 103 63 115 131 0.665 30.88 -0.1 85 88 57 89 204 15.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9308 1618.2 9.6 scans 23% 171 m/z (129) 0.81% 0.0179% 4581 1.6 103 61548 1598958 1500711 2-3 5: 171 172 173 170 156 0.866 30.93 0.2 94 98 85 97 171 66.7 42.192 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2177 1630.2 10.6 scans 80% TIC 0.063% 0.487% 4630 0.7 534 786501 43358243 39545225 2-3 0.934 31.18 395.2 77 97 95 98 180 113.7 4.536 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2177 1630.2 10.0 scans 81% 111 m/z (71) 0.064% 0.497% 4630 0.6 536 773016 44209593 40259774 3-2 20: 111 109 137 67 180 43 110 124 152 95 79 81 41 77 39 112 69 53 65 91 0.974 31.20 394.8 74 96 95 95 180 112.8 4.424 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5212 1643.0 9.1 scans 68% 43 m/z (91) 0.31% 0.0751% 4681 1.0 223 158973 6679274 6384615 1-1 19: 43 98 151 111 55 166 71 82 85 41 127 83 68 109 123 67 107 69 81 0.937 31.52 0.3 95 99 95 99 166 41.1 3.401 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6451 1648.2 7.7 scans 21% 73 m/z (142) 1.5% 0.0131% 4702 1.2 100 32335 1168212 1113347 1-1 19: 73 341 237 342 429 325 223 343 327 239 430 207 147 163 238 267 431 59 224 0.401 31.63 0.5 61 64 11 88 429 20.8 4.325 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7957 1654.5 8.9 scans 17% 193 m/z (85) 1.7% 0.00748% 4728 0.9 71 27958 665376 643783 3-2 4: 193 208 175 194 0.848 31.80 0.0 68 75 41 80 208 15.8 4.948 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9167 1659.6 8.2 scans 44% 71 m/z (81) 1.4% 0.0329% 4748 0.6 137 34318 2928589 2598323 1-2 19: 71 83 57 82 85 43 55 69 155 70 113 99 56 111 127 169 112 97 67 0.837 31.92 -0.1 84 96 89 95 219 9.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0672 1665.9 6.7 scans 34% 221 m/z 0.75% 0.0211% 4774 1.0 142 66653 1883796 1786370 1-4 19: 221 73 147 222 295 341 355 223 207 325 190 148 208 296 342 74 357 209 267 0.793 32.08 -0.5 94 98 86 97 355 24.5 2.967 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4397 1681.6 10.5 scans 51% 57 m/z (120) 0.96% 0.0402% 4837 0.8 151 51835 3581586 3295449 0-2 19: 57 85 71 56 43 55 99 113 191 123 139 70 169 127 165 198 137 83 86 0.926 32.44 -0.1 80 84 88 85 226 5.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6723 1691.4 8.4 scans 51% 205 m/z (96) 1.9% 0.0491% 4876 1.0 181 25547 4367450 3923446 3-5 5: 205 159 162 187 146 0.943 32.67 -0.1 94 97 91 97 220 13.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8606 1699.3 7.8 scans 14% 70 m/z (149) 1.8% 0.00852% 4908 1.6 81 27081 0.0119% 757838 701800 1057955 1-0 6: 70 201 96 202 216 154 0.727 32.87 -0.2 65 79 65 79 186 9.5 1.352 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9332 1702.3 7.9 scans 59% 71 m/z 0.12% 0.0673% 4920 0.8 232 387237 5983522 5336720 6-3 12: 71 43 111 159 56 243 72 155 173 143 89 73 0.925 32.93 0.0 95 95 91 97 243 34.2 2.178 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3087 1718.1 7.2 scans 69% 57 m/z (207) 0.28% 0.0807% 4984 0.8 250 175130 7175012 6318204 5-2 18: 57 71 85 43 41 55 99 56 70 113 42 84 226 98 83 141 112 126 0.978 33.37 -2.7 95 97 98 98 226 25.8 1.065 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8352 1727.4 8.4 scans 9.0% 217 m/z (131) 2.2% 0.00443% 5073 0.9 56 22271 393838 367568 2-3 3: 217 232 218 0.779 33.83 452.7 67 92 62 94 232 24.7 19.711 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8931 1728.2 8.0 scans 39% 71 m/z (195) 1.4% 0.0213% 5083 1.1 124 34452 1896357 1721375 8-0 13: 71 57 43 197 70 85 99 196 56 113 127 84 42 0.868 33.90 -0.1 85 90 89 98 197 22.4 3.249 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2727 1733.7 7.8 scans 20% 57 m/z (159) 1.9% 0.00936% 5147 1.0 86 25390 832134 801855 1-0 15: 57 71 85 210 211 98 113 127 184 43 178 58 141 187 169 0.853 34.27 0.1 85 95 86 93 211 15.1 3.118 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4079 1735.6 13.2 scans 76% 355 m/z 0.0098% 3.28% 5170 0.3 1394 5106982 4.02% 291988605 270911613 357393139 3-0 20: 355 281 356 357 222 283 207 268 325 208 269 387 326 279 457 251 490 404 192 284 0.868 34.39 452.6 80 100 82 100 415 187.9 1.822 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8530 1742.0 17.8 scans 91% 91 m/z 0.021% 1.48% 5246 0.2 773 2318944 131935370 126813564 1-1 20: 91 155 199 90 65 184 89 44 120 137 63 77 39 64 200 78 121 107 109 154 0.988 34.79 453.0 81 100 98 100 199 212.9 7.587 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9061 1742.7 7.8 scans 24% 68 m/z (71 91) 1.8% 0.0189% 5254 1.0 117 27431 1680615 1528782 1-5 1: 68 0.850 34.90 0.0 81 88 87 97 224 14.3 1.492 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3506 1749.1 8.5 scans 60% 71 m/z (73) 0.44% 0.0953% 5330 0.9 246 113170 8478164 7300864 5-1 20: 71 69 55 56 81 70 41 95 126 111 82 83 96 67 137 109 98 97 112 84 0.865 35.35 451.7 73 97 91 98 196 17.3 0.494 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1212 ? Hexadecene 35.5041 1751.3 8.5 scans 58% 83 m/z (120) 0.56% 0.108% 5356 1.2 257 89171 9636599 8419261 4-4 18: 83 69 55 97 70 56 41 82 84 68 111 98 125 42 67 96 112 168 0.975 33.09 42.6 76 82 89 87 224 2.2 0.000 2.419 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7001 1754.1 8.5 scans 52% 123 m/z (57) 0.24% 0.0807% 5389 1.1 231 200962 7179539 6555568 3-2 18: 123 193 124 109 125 209 105 95 79 77 175 121 195 133 194 181 165 131 0.970 35.70 451.4 74 97 94 97 224 16.5 0.512 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1186 ? Cotinine 36.1865 1761.0 11.3 scans 32% 98 m/z (71) 0.35% 0.0515% 5471 1.5 162 140184 4587021 4242673 4-1 18: 98 176 118 119 121 147 78 117 104 51 177 92 175 65 146 80 64 221 0.877 36.19 -88.8 72 96 88 96 176 59.2 13.260 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.4959 1765.5 6.8 scans 7.9% 221 m/z 0.70% 0.0216% 5524 1.1 141 70864 1925071 1850568 1-4 16: 221 73 147 295 281 369 296 341 212 265 355 297 282 370 325 283 0.784 36.58 449.0 62 86 69 85 369 23.7 2.835 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2013 1775.6 7.7 scans 18% 209 m/z (71) 1.3% 0.0141% 5643 1.1 103 38485 1258519 1164065 1-3 13: 209 224 181 165 167 178 194 103 179 166 193 225 115 0.829 37.20 449.3 70 94 83 98 224 32.1 9.720 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.1 scans 59% 57 m/z (138) 0.42% 0.0661% 5788 1.2 216 116885 5878877 5422956 1-2 19: 57 71 85 43 56 41 225 99 55 113 224 127 70 69 226 141 155 98 239 0.963 38.06 448.1 74 98 97 99 225 36.5 2.855 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1016 ? Octadecane 38.0567 1787.8 8.3 scans 49% TIC 0.43% 0.0349% 5788 1.2 197 115686 3104557 2841011 1-1 0.850 38.91 -12.2 75 80 83 79 254 6.3 0.000 -0.853 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5898 1795.4 14.6 scans 87% TIC 0.011% 3.62% 5879 0.5 1443 4188624 4.65% 322047834 308434913 413402511 2-0 0.997 38.59 447.3 80 99 98 99 429 431.6 8.966 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4587 1868.0 9.1 scans 40% 74 m/z 0.49% 0.0414% 6026 1.3 170 101298 3682808 3399327 2-3 14: 74 87 143 75 213 199 256 59 129 102 228 88 157 101 0.794 39.45 506.5 74 97 72 95 256 24.0 1.988 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.9711 1931.6 >22 scans 94% 95 m/z 0.013% 10.5% 6113 0.1 1873 3777242 11.0% 938616166 938616166 977941424 0-0 20: 95 55 81 83 43 67 69 124 41 109 111 79 110 56 53 125 94 138 39 77 1.000 39.94 562.5 81 100 100 100 278 128.8 0.473 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0042 1935.7 >4 scans 65% TIC 0.16% 0.0957% 6118 3.4 400 308337 8511071 7495888 0-11 0.909 39.88 567.4 73 94 88 93 250 35.8 0.801 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3578 1979.5 7.5 scans 63% 149 m/z (82) 0.066% 0.124% 6178 1.0 313 748353 11062388 10126189 2-2 12: 149 150 104 223 76 167 205 105 132 50 224 75 0.988 40.31 604.6 77 98 98 99 223 59.7 3.645 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N406_R~1-N1110 Phytol 40.4056 1985.4 >7 scans 52% TIC 0.49% 0.0429% 6186 1.6 260 101690 0.143% 3818191 3818191 12713239 0-0 0.732 40.66 -31.8 88 92 68 91 278 28.6 1.208 -0.256 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6134 2011.2 6.8 scans 24% 221 m/z (186) 1.5% 0.0138% 6221 1.2 108 32105 1228565 1113524 1-4 17: 221 73 147 295 207 281 222 369 296 223 148 282 74 355 370 279 327 0.869 40.63 631.1 71 98 88 98 369 17.4 2.597 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1254 Phytol 40.8637 2042.2 7.9 scans 77% 82 m/z (196) 0.36% 0.161% 6264 1.3 342 136820 14319327 13578091 1-4 19: 82 81 95 68 123 57 43 69 79 67 83 71 55 41 96 97 124 109 278 0.987 40.87 -0.5 96 98 99 99 278 39.5 1.336 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0243 2062.1 9.0 scans 30% 138 m/z (70) 1.3% 0.0262% 6291 1.1 131 36092 2336919 2170073 1-1 15: 138 120 121 109 69 124 139 65 93 82 262 193 149 104 110 0.848 41.00 676.3 74 98 91 99 262 15.6 1.410 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1134 2073.2 9.6 scans 29% 100 m/z (74) 2.6% 0.0304% 6306 1.3 138 18719 2707042 2471574 1-1 20: 100 191 109 177 123 107 229 122 262 121 93 244 137 150 80 135 105 41 91 124 0.856 41.13 685.4 64 90 77 93 262 22.0 2.547 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2592 2091.3 7.9 scans 78% 79 m/z (253) 0.23% 0.195% 6331 1.0 381 216821 17412348 16032235 2-1 20: 79 67 93 95 80 91 108 55 41 121 81 77 94 107 87 59 135 78 105 66 0.990 41.26 0.3 96 98 99 100 264 24.1 0.400 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4647 2116.7 8.7 scans 78% 205 m/z 0.17% 0.350% 6366 0.6 503 279814 31171561 28980018 4-2 20: 205 57 217 175 189 220 177 55 232 41 91 261 191 77 109 192 206 161 115 135 0.917 41.49 -79.9 85 99 92 99 276 32.6 0.421 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0296 2149.7 8.5 scans 93% 74 m/z 0.015% 1.50% 6461 0.6 1053 3185097 133710294 122997397 3-2 20: 74 87 143 43 55 75 41 227 270 69 57 83 129 59 97 101 185 88 199 71 0.995 42.01 747.7 81 100 99 100 272 23.7 0.051 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1878 2158.6 8.4 scans 21% 93 m/z 3.4% 0.0108% 6489 0.9 104 14714 0.0127% 963290 901852 1129078 0-1 18: 93 95 81 79 91 137 41 69 67 109 253 107 119 77 133 122 105 176 0.584 42.05 8.0 72 77 43 74 272 7.9 0.000 0.143 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3153 2165.7 9.7 scans 90% 73 m/z 0.040% 0.725% 6510 1.2 676 1235383 64489134 60835123 2-3 20: 73 147 281 221 355 207 341 282 148 222 283 74 356 504 415 295 357 267 342 327 0.983 42.37 756.7 74 91 95 99 503 102.9 2.319 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9972 2204.0 8.4 scans 61% TIC 0.18% 0.0575% 6625 1.2 227 270440 5119277 4610090 2-3 0.869 43.03 781.9 67 91 85 89 292 25.7 1.281 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2847 2220.1 9.5 scans 57% 263 m/z (113) 0.45% 0.0535% 6674 1.6 170 110429 4762118 4405119 1-3 16: 263 278 264 147 219 129 203 143 110 124 161 279 128 187 131 142 0.894 43.31 -1.3 81 84 67 83 278 45.4 7.122 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1238 ? Trachylobane 44.1471 2268.9 8.6 scans 8.0% TIC 7.8% 0.00117% 6820 1.0 42 6349 104471 93469 1-2 0.259 44.15 -0.4 77 84 22 79 272 9.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN N419_R~1-N1158 ? Manool oxide 44.2829 2276.7 8.7 scans 34% 192 m/z (221) 6.3% 0.0117% 6843 0.9 90 7901 1046601 950660 2-1 18: 192 275 257 137 67 81 95 135 258 107 109 83 276 123 69 79 96 80 0.870 43.83 839.1 73 97 84 96 275 22.2 6.152 0.456 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3089 2278.2 6.5 scans 19% 221 m/z (192) 4.4% 0.00468% 6847 1.0 64 11206 416219 386719 1-7 16: 221 295 73 147 281 222 207 370 297 148 208 223 369 296 355 267 0.796 44.32 830.9 71 100 91 98 369 11.9 3.391 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1613 2327.2 9.0 scans 56% TIC 0.63% 0.109% 6992 1.1 278 78482 9724289 8905391 2-5 0.681 44.90 15.0 88 91 65 89 272 21.1 0.000 0.260 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7977 2363.8 8.7 scans 65% TIC 0.53% 0.0369% 7100 1.4 171 92838 3287166 3018445 2-2 0.904 45.78 1.2 97 98 87 97 503 14.7 0.738 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1047 2381.5 7.9 scans 87% 79 m/z 0.11% 0.360% 7152 1.0 529 418429 32037227 29673686 2-5 20: 79 67 95 93 80 108 81 55 41 91 94 107 77 121 135 69 59 78 109 68 0.961 46.13 -1.7 96 96 95 99 292 34.5 0.427 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1022 ?? Henicosane 46.6206 2411.2 8.6 scans 29% 85 m/z (111) 5.2% 0.00623% 7239 0.8 64 9520 554620 494795 3-1 18: 85 57 71 99 43 70 81 113 127 41 83 69 126 55 155 96 108 118 0.835 46.28 19.5 63 75 74 72 296 0.0 0.000 0.339 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7605 2419.2 7.9 scans 60% 74 m/z (180) 0.83% 0.0267% 7262 1.0 139 60041 2374307 2160920 3-3 13: 74 87 143 75 298 255 101 59 88 129 267 299 256 0.940 46.76 924.1 75 98 93 98 298 23.6 2.885 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5008 2461.9 7.3 scans 44% 138 m/z (147) 3.0% 0.00880% 7388 1.0 83 16504 782364 715596 2-3 9: 138 120 121 85 139 84 70 65 122 0.837 47.50 949.1 73 98 87 97 168 10.3 1.522 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9400 2544.7 7.6 scans 48% 73 m/z 1.9% 0.00840% 7632 1.3 83 25526 747291 683268 2-4 18: 73 147 221 355 429 281 430 223 356 282 207 431 148 74 341 401 296 325 0.760 48.95 994.3 72 97 76 98 429 23.4 8.031 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8633 2712.9 8.2 scans 40% 73 m/z 3.0% 0.00528% 8127 1.0 63 16458 469653 430703 3-2 18: 73 147 355 356 281 503 429 222 221 430 148 431 282 223 325 341 149 504 0.676 51.86 1082.0 71 95 65 92 503 10.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6379 2872.5 8.8 scans 28% 73 m/z (71) 5.9% 0.00353% 8597 1.1 48 8387 314069 297404 2-6 14: 73 221 147 295 341 429 148 357 356 282 223 222 431 503 0.693 45.81 1396.0 67 94 71 93 503 6.7 0.000 8.826 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP1.FIN HCMIX_~1-N1030 ?? Pentacosane 54.6538 2873.5 9.3 scans 23% 85 m/z (73) 8.2% 0.00346% 8600 1.4 45 6086 307892 265854 4-3 6: 85 71 295 84 356 127 0.673 54.79 -7.8 65 73 55 68 352 0.0 0.000 -0.136 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2342 774.5 >26 scans 58% 77 m/z 0.37% 0.0461% 59 1.6 109 128481 3829670 3575409 1-2 14: 77 81 100 96 53 75 39 45 79 62 41 51 67 64 0.875 4.37 20.5 99 100 96 99 77 94.0 74.497 -0.137 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.2006 825.7 7.6 scans 29% 57 m/z (69) 1.8% 0.00541% 392 0.8 57 25626 449593 409477 1-6 5: 57 45 58 87 102 0.601 6.03 -135.9 64 98 78 95 102 6.3 0.000 0.168 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5748 835.4 18.7 scans 70% 207 m/z 0.46% 0.0341% 455 2.9 110 105631 2831880 2687989 1-1 19: 207 208 209 191 133 193 147 119 103 115 134 73 177 135 117 192 211 81 67 0.834 6.53 -141.4 80 100 84 99 207 85.3 60.339 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6758 864.1 8.2 scans 94% 55 m/z 0.12% 0.382% 642 1.7 468 378024 31720159 28470263 1-5 20: 55 69 41 83 39 42 57 98 70 43 97 56 80 53 54 79 40 68 51 38 0.997 7.71 8.8 100 99 99 100 98 91.8 3.851 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2308 982.7 13.1 scans 53% 281 m/z 0.42% 0.0406% 1413 2.6 126 114324 3370792 3020834 2-2 20: 281 282 283 193 249 133 191 134 67 284 41 163 265 73 71 195 58 205 177 194 0.745 12.22 36.4 94 100 86 99 281 88.7 49.787 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6724 994.2 9.7 scans 48% 81 m/z 0.54% 0.0245% 1488 2.1 113 88618 0.0255% 2038538 1855686 2116089 5-2 15: 81 110 53 39 79 67 82 54 51 65 95 50 40 66 52 0.728 13.22 30.6 93 96 71 97 110 38.5 11.580 -0.550 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.2851 1037.6 >23 scans 72% TIC 0.51% 0.103% 1761 0.6 176 94184 8596947 8010631 1-1 0.971 14.11 58.6 90 99 97 99 108 77.3 19.330 0.176 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4487 1042.1 9.7 scans 89% 91 m/z 0.066% 0.203% 1789 1.6 322 731545 16883936 14749511 2-4 20: 91 92 120 65 63 39 89 51 50 62 121 90 64 93 66 61 38 74 52 122 0.987 14.44 57.3 91 100 98 100 120 104.5 10.537 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1789 1061.9 >10 scans 82% 105 m/z 0.18% 0.0922% 1913 0.8 226 269534 7655328 7313429 2-0 12: 105 123 77 46 51 124 50 79 78 75 95 138 0.971 15.17 64.5 89 100 96 100 123 82.0 13.149 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN 98-86-2 ? Acetophenone 15.2893 1064.8 9.6 scans 86% 105 m/z 0.019% 0.844% 1932 0.8 711 2522250 70104849 64362392 2-4 20: 105 77 120 51 106 50 43 78 74 121 76 75 63 39 52 91 65 62 38 89 0.987 15.29 -180.9 79 98 98 99 120 248.6 12.224 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4328 1068.7 8.8 scans 61% 95 m/z 0.19% 0.0969% 1956 1.5 246 256053 8048118 7610826 1-4 18: 95 81 124 79 43 53 109 39 41 82 65 96 67 66 55 123 63 54 0.955 15.43 67.0 84 96 88 96 124 75.9 9.532 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1028 ?? p-Cymenene 16.2114 1089.8 >9 scans 6.1% 132 m/z (121) 7.4% 0.00283% 2088 1.2 42 6512 234840 214594 0-2 8: 132 117 131 115 116 66 92 64 0.627 16.25 -184.8 67 95 71 97 132 19.0 20.578 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1002 Undecane 16.6116 1101.0 8.5 scans 37% 57 m/z 4.5% 0.00306% 2155 1.0 52 10710 254201 238283 1-0 17: 57 43 71 41 85 56 55 69 39 42 95 98 68 111 112 97 109 0.724 16.59 1.0 87 93 71 91 156 7.7 2.216 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7793 1108.1 8.3 scans 73% 57 m/z 0.84% 0.0462% 2184 1.3 170 57792 3835263 3359793 4-3 17: 57 41 56 55 70 98 44 82 68 69 95 96 67 42 71 54 45 0.951 16.82 85.7 77 94 91 93 124 3.7 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9635 1115.9 9.7 scans 60% 71 m/z (126) 0.63% 0.0576% 2216 1.8 164 76559 4788124 4252611 2-2 20: 71 95 43 110 58 128 120 69 55 57 42 72 70 111 86 85 84 56 113 59 0.822 16.97 91.2 76 96 92 99 128 37.6 5.278 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.1801 1125.1 10.4 scans 77% 91 m/z 0.29% 0.0545% 2252 0.8 166 164632 0.0668% 4528730 4253749 5543323 0-3 19: 91 92 122 65 51 63 103 90 89 39 77 123 78 93 104 50 75 52 74 0.961 17.05 99.1 80 99 95 99 122 56.5 11.561 0.128 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0851 1163.3 8.7 scans 78% 73 m/z 0.32% 0.0659% 2405 1.7 196 149646 5473917 5162999 2-2 19: 73 355 267 357 268 269 356 74 340 249 358 339 75 162 323 179 59 45 325 0.898 18.13 -168.4 80 100 88 99 355 84.4 18.471 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.4564 1179.0 9.8 scans 7.6% 85 m/z (70) 20% 0.000561% 2468 1.3 18 2419 46571 43348 0-2 6: 85 133 283 207 81 191 0.243 12.25 25.9 65 85 1 82 281 16.5 0.000 6.205 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN M4942-N1002 ? Pyranone 18.6908 1188.9 16.9 scans 81% TIC 0.17% 0.268% 2508 0.6 311 272512 22252657 21053366 1-2 0.954 20.04 -201.6 79 99 94 99 144 133.9 18.528 -1.351 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8336 1194.9 9.8 scans 43% 70 m/z (82) 6.6% 0.00855% 2532 1.0 68 7315 710097 661676 0-3 13: 70 55 57 41 81 84 69 97 111 56 67 96 122 0.924 18.83 142.2 62 86 85 94 122 5.4 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1282 1207.4 8.8 scans 47% 82 m/z 1.9% 0.00629% 2582 1.2 69 24765 522685 456603 1-2 14: 82 81 39 54 43 41 83 95 53 55 122 40 79 66 0.836 19.12 150.3 76 99 85 99 97 11.2 2.650 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7610 1234.1 11.0 scans 49% 119 m/z (101) 1.1% 0.0159% 2689 0.9 87 42747 1327529 1231792 2-2 9: 119 91 134 120 92 135 63 90 64 0.890 13.76 34.6 74 82 71 82 134 29.8 11.781 6.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8732 1238.8 9.1 scans 71% TIC 0.71% 0.0272% 2708 1.1 139 68295 2263535 1967957 2-2 0.941 19.81 171.3 77 98 92 99 144 2.0 0.000 0.059 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 10.2 scans 19% 57 m/z (143) 4.7% 0.00557% 2783 1.6 49 10261 462628 410435 3-3 7: 57 71 170 99 98 70 141 0.658 20.32 -0.2 87 97 77 93 170 7.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 20.3862 1259.7 15.7 scans 25% 101 m/z (57) 8.2% 0.00636% 2795 0.9 50 5915 528142 528142 0-0 9: 101 73 139 75 74 61 137 63 125 0.556 22.03 -49.4 66 94 67 94 175 0.0 0.000 -1.648 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1034 ? Decanal 20.5238 1263.8 8.3 scans 66% 57 m/z 1.7% 0.0250% 2818 1.0 130 27171 2080164 1901144 3-3 19: 57 41 82 55 70 71 68 83 56 44 81 112 67 69 42 96 84 39 54 0.912 20.57 -143.2 78 99 92 98 138 7.6 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9943 1277.9 8.7 scans 80% 137 m/z 0.70% 0.0589% 2898 1.1 198 68873 4892789 4524265 2-2 20: 137 152 109 123 81 67 91 77 79 95 93 41 107 53 55 78 65 153 43 138 0.942 21.00 192.6 71 90 80 90 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.1554 1282.8 9.1 scans 85% 94 m/z 0.056% 0.251% 2925 0.8 387 866217 20855064 19013050 2-2 20: 94 138 77 95 66 51 65 107 39 79 45 78 139 50 63 38 40 93 76 64 0.970 20.98 197.8 78 97 94 99 152 0.0 0.000 0.172 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4559 1291.8 7.1 scans 6.5% 147 m/z 11% 0.000851% 2977 1.2 26 4216 70603 70603 0-1 2: 147 282 0.616 21.56 -146.9 63 90 47 88 369 8.6 11.098 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1064 ?? Benzoic acid 22.1283 1312.0 19.1 scans 30% 122 m/z (83 138) 1.4% 0.0289% 3090 1.5 90 34644 2401805 2151763 2-1 13: 122 105 327 56 73 87 416 415 76 71 49 113 84 0.848 20.03 241.3 63 88 75 92 122 45.4 25.220 2.099 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1024 ?? Hexadecane 22.5120 1323.5 7.8 scans 33% 85 m/z 4.0% 0.00475% 3155 1.0 65 12112 394927 354715 1-6 14: 85 57 71 137 55 70 41 99 84 154 56 86 112 113 0.764 33.32 56.5 65 85 78 83 226 0.0 0.000 -10.807 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1006 ?? Tridecane 22.5120 1323.5 7.8 scans 40% 85 m/z (125) 4.0% 0.00769% 3155 1.0 72 12064 638111 573137 1-6 14: 85 57 71 137 55 70 41 99 84 154 56 86 112 113 0.828 23.86 -40.5 66 82 84 81 184 0.0 0.000 -1.350 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9453 1336.5 10.5 scans 62% 43 m/z (135) 0.41% 0.0704% 3229 0.6 185 117687 5846495 5648846 2-1 20: 43 69 109 71 41 86 85 110 70 127 56 155 99 39 58 67 83 95 42 111 0.739 22.91 222.9 72 99 88 99 127 28.6 2.386 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.1106 1372.3 7.4 scans 82% 73 m/z 0.11% 0.164% 3426 1.0 347 408668 13659773 12556082 2-1 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 432 75 148 45 251 191 0.951 24.17 -151.5 80 100 94 100 429 102.7 8.746 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 24.4341 1383.1 >20 scans 92% 60 m/z 0.063% 0.928% 3481 0.1 588 767385 77046912 70794956 1-6 20: 60 73 57 41 55 115 43 129 69 87 39 98 45 61 42 83 56 70 101 74 0.994 22.70 -92.2 77 92 92 99 158 39.8 0.457 1.738 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1032 ? Dodecane 24.5894 1388.3 8.4 scans 32% 71 m/z 2.1% 0.00852% 3507 1.1 83 22870 707713 638487 2-2 13: 71 57 85 43 121 113 127 70 72 99 86 82 155 0.714 20.36 -11.9 72 83 67 81 170 3.4 0.000 4.231 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.9412 1400.0 9.9 scans 52% 43 m/z 0.97% 0.0248% 3567 1.0 128 49816 2058891 1960067 1-1 19: 43 83 142 41 82 85 56 57 58 113 69 111 68 127 67 39 93 70 128 0.827 24.70 260.4 70 93 85 96 170 2.4 0.000 0.245 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.3202 1412.7 >9 scans 6.6% 43 m/z (148) 0.38% 0.0251% 3631 0.9 129 125640 2086383 1964214 3-0 6: 43 145 103 116 115 73 0.634 25.24 -147.2 74 98 96 98 145 47.2 13.411 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1004 Nicotine 25.6614 1424.1 >22 scans 95% TIC 0.0066% 11.4% 3689 0.1 1713 7302016 947859628 891313161 1-1 0.999 25.89 267.1 80 99 99 99 162 502.9 8.620 -0.231 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N406_R~1-N1090 ?? UNK 42.45min 25.8137 1429.2 8.0 scans 18% 159 m/z (157) 1.4% 0.0101% 3714 1.0 82 32936 840091 771859 2-2 3: 159 144 175 0.715 42.45 18.6 61 66 49 69 272 0.0 0.000 -16.632 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0930 1471.9 6.4 scans 43% 221 m/z 1.4% 0.0106% 3931 1.0 96 32835 881902 795664 2-2 20: 221 73 147 281 223 222 355 267 148 283 443 74 356 269 205 149 207 268 191 357 0.792 27.12 297.0 75 97 76 95 355 19.1 3.969 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 8.0 scans 68% 57 m/z (108) 0.64% 0.0345% 3944 1.2 150 75230 0.0546% 2868252 2773286 4530920 1-0 19: 57 71 43 85 41 56 55 99 70 84 127 98 69 42 126 112 141 198 86 0.965 27.21 -1.4 93 97 94 97 198 17.6 1.377 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9495 1503.6 10.0 scans 83% 118 m/z (98) 0.094% 0.341% 4076 1.9 387 515347 28356295 26474444 2-1 20: 118 146 145 105 78 119 51 104 147 117 91 63 65 41 42 77 39 64 50 58 0.953 27.93 316.9 77 99 96 99 146 162.1 17.519 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6597 1530.3 8.1 scans 75% TIC 0.13% 0.142% 4196 1.1 324 355699 11827899 10549292 6-1 0.926 28.67 332.9 78 98 92 97 194 21.1 0.422 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0936 1546.7 7.4 scans 71% 71 m/z (196) 0.21% 0.134% 4270 1.1 309 222247 0.166% 11200824 10565213 13775323 8-0 20: 71 57 43 85 41 70 141 55 56 113 99 112 84 177 183 69 97 42 72 140 0.940 29.10 342.8 72 95 95 96 227 2.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5121 1562.4 7.4 scans 68% 73 m/z 0.083% 0.274% 4341 1.0 452 581592 22755787 21060448 3-2 20: 73 281 147 327 282 283 221 399 328 416 504 74 329 325 417 505 207 342 383 343 0.966 29.61 -150.7 79 99 95 99 503 75.1 2.759 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6815 1568.8 7.2 scans 26% 177 m/z (166) 0.032% 0.424% 4369 0.5 534 1495860 35197090 33142740 3-1 16: 177 43 178 91 135 77 93 107 121 149 133 122 95 192 109 53 0.295 29.68 356.3 71 100 41 94 192 72.4 1.837 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7689 1572.0 7.8 scans 59% 123 m/z 0.064% 0.127% 4384 1.0 302 750732 10575505 9906758 0-3 17: 123 135 124 107 91 95 79 109 77 39 81 53 67 125 93 105 193 0.814 29.77 358.0 79 99 79 98 193 27.0 0.798 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9389 1578.4 8.5 scans 63% 71 m/z 0.17% 0.128% 4413 0.9 284 271856 0.139% 10672376 9958420 11534759 1-0 20: 71 85 57 43 99 113 69 127 41 55 155 70 84 56 83 169 86 112 72 126 0.835 29.94 362.0 74 94 77 95 254 8.7 0.094 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 30.1674 1587.0 7.9 scans 50% 57 m/z (132) 0.65% 0.0471% 4452 1.3 180 74161 0.0704% 3911955 3911955 5842065 0-0 20: 57 85 71 43 99 41 113 55 84 70 69 127 56 155 183 141 112 42 97 98 0.975 30.38 -7.9 79 80 94 84 212 0.0 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5116 1600.6 8.3 scans 90% 191 m/z 0.014% 0.811% 4510 0.8 729 3323172 67338820 63537151 2-3 20: 191 206 192 57 163 74 91 41 115 107 207 88 147 133 105 117 121 135 60 79 0.988 30.50 375.8 81 100 99 100 206 195.2 7.165 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8764 1615.9 9.2 scans 44% 162 m/z (222) 0.70% 0.0447% 4572 1.4 161 68908 3713449 3527694 1-2 12: 162 161 134 204 163 165 79 131 65 149 164 74 0.785 30.88 -0.1 89 92 67 95 204 21.2 1.720 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9360 1618.4 8.8 scans 25% 171 m/z (142) 0.85% 0.0189% 4582 1.4 100 57041 1575498 1363572 4-3 7: 171 172 156 94 173 130 170 0.917 30.93 0.4 92 96 86 95 171 62.7 39.576 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2117 1630.0 9.5 scans 75% 111 m/z (57) 0.079% 0.405% 4629 0.7 467 614953 33677304 30421764 3-2 20: 111 109 137 180 67 110 43 124 95 152 79 81 77 41 39 112 91 165 93 69 0.968 31.20 394.6 75 97 94 97 180 100.6 4.652 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2135 1630.1 10.2 scans 68% TIC 0.076% 0.368% 4629 0.7 444 635777 30620337 26452441 3-3 0.871 31.18 395.1 77 98 83 98 180 102.2 5.293 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5128 1642.6 10.5 scans 40% 43 m/z 0.68% 0.0257% 4680 1.4 134 70891 2138408 2044504 1-0 20: 43 98 71 85 57 166 111 55 107 69 41 82 197 53 83 99 68 84 67 123 0.679 31.52 -0.1 90 93 71 90 166 25.9 3.764 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 31.6273 1647.4 7.5 scans 40% 71 m/z (73) 0.95% 0.0326% 4699 1.4 147 50733 2706491 2523129 1-2 20: 71 57 85 43 99 69 41 84 113 127 70 169 55 56 83 72 111 155 86 328 0.923 24.54 510.1 70 91 94 97 169 19.9 1.833 7.085 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7938 1654.4 9.5 scans 15% 193 m/z (165) 2.0% 0.00822% 4728 0.7 67 23439 682444 636295 3-2 3: 193 137 175 0.735 31.80 -0.1 64 74 36 80 208 13.5 4.116 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9160 1659.6 7.9 scans 48% 71 m/z (45) 1.2% 0.0363% 4748 0.6 142 39319 3015127 2743977 1-1 19: 71 57 83 85 43 55 41 99 69 70 113 111 112 183 127 56 126 97 72 0.897 31.92 -0.1 79 86 90 88 219 3.3 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0588 1665.6 6.7 scans 46% 221 m/z 0.42% 0.0427% 4772 1.0 186 115390 3550277 3265522 2-2 20: 221 73 147 295 222 207 341 355 223 180 281 148 296 325 267 74 208 356 297 209 0.879 32.08 -0.8 96 97 91 98 355 31.8 2.921 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4396 1681.6 10.3 scans 56% 57 m/z (105) 0.80% 0.0509% 4837 0.9 162 60498 4228665 4028414 1-1 19: 57 85 71 56 43 41 196 55 107 99 113 197 70 114 168 39 169 123 42 0.943 32.44 -0.1 92 96 95 95 226 6.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6763 1691.5 8.9 scans 65% 205 m/z (180) 1.2% 0.0883% 4876 1.1 221 38101 7333093 6665932 3-6 17: 205 119 91 105 93 159 107 79 147 162 187 133 106 131 146 145 121 0.977 32.67 0.0 94 97 93 97 220 15.4 0.483 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8646 1699.4 8.0 scans 12% 70 m/z (149) 1.3% 0.0120% 4909 1.2 88 36813 0.0148% 1001496 896594 1228161 2-0 4: 70 195 54 186 0.747 32.87 -0.1 75 91 71 87 186 7.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9307 1702.2 7.6 scans 46% 71 m/z 0.17% 0.0464% 4920 0.9 184 281552 3856881 3385997 4-4 9: 71 43 159 111 243 155 72 173 143 0.872 32.93 -0.1 95 97 93 96 243 30.2 2.702 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0848 1708.7 7.6 scans 27% 83 m/z 2.8% 0.00876% 4946 1.0 103 17292 727151 727151 0-0 18: 83 55 97 57 43 41 69 70 56 84 85 71 82 98 67 42 151 68 0.680 33.09 -0.0 80 95 74 91 224 6.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.5 scans 69% 57 m/z (153) 0.30% 0.0849% 4984 0.6 236 158370 7046200 6468801 3-2 19: 57 71 43 85 41 55 56 99 70 69 113 226 42 84 141 98 112 197 72 0.962 33.37 -2.7 92 97 95 98 226 26.4 1.252 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 8.0 scans 43% 71 m/z (166) 1.1% 0.0316% 5083 0.8 140 42231 2626967 2280593 3-2 14: 71 57 43 85 70 197 99 56 196 141 113 127 140 167 0.748 33.90 -0.1 87 95 92 97 197 24.0 2.940 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2714 1733.7 8.5 scans 32% 57 m/z (121) 1.1% 0.0212% 5147 0.9 116 41007 1759751 1615725 1-1 17: 57 71 85 211 41 43 98 212 210 182 70 56 183 184 82 127 141 0.890 34.27 0.1 90 96 94 96 211 20.9 3.237 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4184 1735.8 17.4 scans 96% 147 m/z 0.0097% 5.54% 5170 0.4 1504 4976855 6.72% 460502015 436194540 557651642 2-0 20: 147 221 207 74 75 149 133 341 265 205 329 269 386 145 342 279 311 250 323 383 0.993 34.39 452.8 81 100 98 100 415 176.1 1.373 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9142 1742.8 8.5 scans 1.9% 68 m/z (155) 1.2% 0.0271% 5256 1.3 127 37796 2257013 2074467 4-2 2: 68 224 0.609 34.90 0.1 72 81 67 96 224 18.6 2.166 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9827 1743.8 >3 scans 91% TIC 0.014% 0.596% 5268 1.4 942 3430303 2.83% 49533040 46567168 234844367 0-1 0.999 34.79 454.8 81 100 100 100 199 268.7 8.152 0.197 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3623 1749.3 8.8 scans 58% 81 m/z (196) 0.54% 0.0916% 5331 0.8 224 90095 7603355 6626185 4-1 18: 81 126 69 55 70 95 41 111 82 83 137 96 67 109 112 110 68 72 0.934 35.35 451.9 71 97 94 96 196 12.2 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7124 1754.3 8.9 scans 51% 123 m/z (57) 0.24% 0.0889% 5391 1.2 226 200856 7381934 6782930 2-2 16: 123 193 124 109 125 105 77 175 95 79 209 121 107 131 149 194 0.944 35.70 451.6 71 95 87 95 224 13.8 0.375 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9379 1757.5 8.5 scans 56% 159 m/z (99) 0.61% 0.119% 5430 1.2 271 79485 9930666 9307362 1-3 11: 159 220 93 119 177 133 131 117 109 161 145 0.932 35.94 451.1 60 83 72 89 238 5.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1186 ?? Cotinine 36.2130 1761.4 9.9 scans 26% 176 m/z (71) 0.47% 0.0350% 5475 1.2 135 102158 2910859 2720429 2-4 7: 176 119 118 175 51 52 177 0.875 36.19 -88.4 69 89 89 92 176 50.3 13.937 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4904 1765.4 6.6 scans 30% 221 m/z 0.32% 0.0648% 5523 1.1 232 151641 5382668 5214534 1-0 20: 221 73 147 295 207 281 222 369 223 341 296 148 371 297 74 370 282 327 325 342 0.919 36.58 448.9 77 98 91 98 369 36.1 2.412 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2047 1775.6 7.9 scans 8.7% 209 m/z 1.3% 0.00706% 5644 1.0 74 37041 586471 546371 2-1 12: 209 224 181 210 178 167 165 166 115 103 226 193 0.626 37.20 449.3 69 92 52 91 224 31.0 17.388 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3039 1777.0 9.9 scans 59% 71 m/z (150) 0.46% 0.107% 5661 1.0 230 104925 0.150% 8933544 8087519 12447581 0-3 19: 71 85 57 43 99 113 84 69 127 55 41 121 126 70 169 155 56 128 141 0.963 38.91 -23.0 79 83 94 85 254 3.3 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0589 1787.8 8.6 scans 59% TIC 0.32% 0.0619% 5789 1.1 232 151777 5140362 4572811 1-2 0.925 38.06 448.1 77 98 91 97 225 42.4 3.325 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5891 1795.4 17.3 scans 86% TIC 0.014% 4.69% 5878 0.6 1385 3455276 5.59% 389830800 372100140 463879863 2-0 0.997 38.59 447.3 80 99 97 99 429 418.3 9.125 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4586 1868.0 8.5 scans 35% 74 m/z 0.56% 0.0307% 6026 1.1 143 86576 2548243 2398847 2-2 16: 74 87 75 143 213 256 115 59 225 129 88 102 101 199 157 171 0.750 39.45 506.5 70 95 70 93 256 22.7 2.509 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9079 1923.7 >22 scans 94% 95 m/z 0.015% 9.03% 6102 0.1 1674 3131330 750131248 711319695 0-8 20: 95 68 123 82 43 81 55 57 67 69 41 83 97 109 124 71 96 111 79 56 1.000 39.94 554.6 81 100 100 100 278 111.0 0.440 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9562 1929.7 5.7 scans 59% 58 m/z (183) 0.28% 0.0976% 6110 1.5 305 171623 8099767 7389536 0-10 11: 58 43 59 71 109 110 95 124 250 137 165 0.987 39.88 561.4 74 97 97 97 250 30.4 0.991 0.073 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.2195 1962.4 7.8 scans 11% 159 m/z (225) 5.6% 0.00577% 6154 0.9 62 8672 479102 446929 2-0 10: 159 119 161 105 146 93 160 92 122 173 0.718 39.14 605.7 63 94 67 91 272 7.8 0.000 1.079 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3388 1977.1 7.7 scans 55% 149 m/z (238) 0.083% 0.0922% 6175 1.1 253 581382 7659082 7267270 2-2 10: 149 150 223 104 76 167 205 132 50 206 0.986 40.31 602.2 76 98 95 98 223 53.3 4.428 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N406_R~1-N1110 Phytol 40.4019 1985.0 7.5 scans 51% 81 m/z (222) 0.40% 0.105% 6185 1.1 262 120182 0.114% 8751121 8000240 9460162 4-0 12: 81 82 95 68 123 79 67 96 124 109 278 110 0.856 40.66 -32.2 87 93 78 93 278 32.9 1.578 -0.260 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1254 Phytol 40.8606 2041.8 7.6 scans 51% 82 m/z 0.57% 0.0705% 6263 1.1 231 84704 5851693 5568046 1-4 12: 82 81 95 68 123 79 96 67 41 124 109 278 0.731 40.87 -0.9 93 97 75 95 278 32.6 1.992 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0130 2060.7 8.6 scans 28% 138 m/z 1.1% 0.0211% 6289 1.1 126 42619 1758437 1658028 1-1 15: 138 120 109 121 69 124 92 65 82 262 68 93 95 139 91 0.750 41.00 674.9 76 100 80 99 262 17.5 1.925 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2550 2090.7 8.3 scans 76% 79 m/z 0.17% 0.243% 6330 1.0 410 284340 20217874 18846387 2-1 20: 79 67 93 80 91 108 41 55 77 94 107 59 87 78 105 122 66 68 65 53 0.920 41.26 -0.3 98 99 91 98 264 28.8 0.494 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4645 2116.7 8.5 scans 75% 205 m/z 0.22% 0.274% 6365 0.6 428 214980 22810856 21748789 3-1 20: 205 217 57 175 189 220 177 232 41 91 261 191 203 192 206 161 77 233 135 115 0.908 41.49 -79.9 85 100 91 99 276 28.8 0.453 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0354 2150.0 9.1 scans 93% 74 m/z 0.014% 1.92% 6462 0.5 1087 3424236 159442396 148902243 3-2 20: 74 87 143 43 55 75 227 270 41 69 57 129 83 239 59 97 101 171 199 241 0.994 42.01 748.0 80 99 99 100 272 25.7 0.056 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3111 2165.5 9.7 scans 91% 73 m/z 0.035% 0.951% 6509 1.2 725 1362584 78957633 74675044 2-3 20: 73 147 281 221 503 207 282 430 283 148 504 356 415 295 357 505 342 223 325 149 0.987 42.37 756.5 74 91 94 99 503 116.4 2.581 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9964 2204.0 9.1 scans 47% TIC 0.33% 0.0346% 6625 1.1 168 147219 2872144 2688067 1-4 0.746 43.03 781.9 62 90 79 88 292 19.6 1.367 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1252 Contamination 43.31min 43.2851 2220.2 10.0 scans 37% 263 m/z (140) 0.81% 0.0281% 6674 1.7 113 59891 2339922 2063439 2-4 18: 263 278 264 219 128 235 203 147 161 115 279 172 133 129 154 179 156 131 0.780 43.31 -1.2 80 85 54 83 278 32.3 8.203 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1238 ?? Trachylobane 44.1464 2268.8 7.2 scans 10% 79 m/z (57) 22% 0.00222% 6819 1.0 40 2200 184570 166653 0-3 16: 79 135 137 272 149 121 81 77 95 105 93 89 107 148 108 257 0.483 44.15 -0.5 66 94 49 86 272 6.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N419_R~1-N1158 ? Manool oxide 44.2816 2276.6 8.7 scans 28% 107 m/z (221) 5.6% 0.0117% 6843 0.7 86 8567 977145 926328 2-0 18: 107 276 137 79 258 257 95 275 123 67 109 134 191 149 119 150 77 53 0.803 43.83 839.0 72 97 80 95 275 22.9 7.198 0.455 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.3023 2277.8 7.0 scans 28% 221 m/z (107) 2.2% 0.00927% 6846 1.0 85 21322 769867 750951 1-1 19: 221 73 147 281 295 222 207 296 223 283 369 74 325 370 355 265 282 341 297 0.851 40.63 897.7 73 99 88 98 369 15.0 3.129 3.669 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1618 2327.2 8.9 scans 54% TIC 0.99% 0.0771% 6992 1.1 217 49057 6401543 5342088 3-8 0.680 44.90 15.0 88 91 66 89 272 16.3 0.567 0.261 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7940 2363.6 8.7 scans 70% TIC 0.45% 0.0521% 7099 1.4 189 106147 4328554 3923855 2-2 0.932 45.78 1.0 98 98 90 98 503 17.2 0.835 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1093 2381.8 8.3 scans 86% 79 m/z 0.098% 0.470% 7152 0.9 559 493644 39079543 35785472 2-5 20: 79 67 95 93 108 80 81 55 91 41 94 107 77 121 69 135 109 78 59 149 0.951 46.13 -1.4 96 96 94 99 292 40.1 0.515 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN HCMIX_~1-N1022 ?? Henicosane 46.6246 2411.4 8.1 scans 38% 71 m/z (167) 3.4% 0.0104% 7239 1.0 81 14172 868552 811742 1-1 20: 71 57 85 99 43 113 127 154 69 141 84 70 83 112 110 72 41 281 183 56 0.757 46.28 19.7 66 77 81 78 296 0.0 0.000 0.343 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7604 2419.2 7.7 scans 66% 74 m/z (180) 0.53% 0.0429% 7263 1.0 170 91448 3563475 3279126 2-4 14: 74 87 143 75 298 55 255 129 101 88 59 185 199 256 0.962 46.76 924.1 76 99 96 98 298 29.4 3.004 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6949 2473.0 7.0 scans 16% 221 m/z (111) 8.4% 0.00209% 7421 1.1 40 5762 173589 166715 1-3 12: 221 207 73 147 296 295 149 222 369 370 223 288 0.647 44.32 1025.7 67 98 71 96 369 9.6 5.931 3.375 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN N419_R~1-N1164 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8584 2540.0 >15 scans 36% TIC 8.2% 0.00761% 7618 0.7 66 5910 0.0143% 632183 587289 1186669 2-0 0.531 48.96 989.2 65 90 48 86 290 6.7 1.038 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9393 2544.7 7.8 scans 51% 73 m/z 1.7% 0.0115% 7632 1.1 90 28493 962041 908331 3-6 20: 73 429 147 221 281 355 430 207 431 222 356 341 357 358 415 283 149 267 295 432 0.795 48.95 994.3 72 97 79 97 429 25.3 7.966 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8579 2712.6 8.4 scans 43% TIC 2.9% 0.00536% 8126 1.2 65 16592 444891 389555 2-7 0.701 51.86 1081.7 73 96 68 93 503 11.3 2.989 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6319 2872.2 9.1 scans 35% 73 m/z (71) 5.9% 0.00394% 8596 1.4 47 8165 326997 294572 2-3 16: 73 147 221 429 430 355 357 222 503 148 74 282 295 341 356 431 0.690 45.81 1395.7 66 94 70 92 503 7.3 2.418 8.820 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2763 775.6 >22 scans 31% 77 m/z (43) 0.91% 0.0190% 66 0.7 65 46350 1383393 1383393 0-0 8: 77 45 59 84 33 90 63 46 0.768 4.37 21.6 92 97 90 97 77 55.6 72.553 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1016 ?? Pivalic acid 6.1471 824.3 6.9 scans 25% 57 m/z (80) 1.5% 0.00670% 383 0.7 60 27321 486480 424868 1-7 5: 57 59 87 58 102 0.595 6.03 -137.3 65 98 81 96 102 6.8 0.000 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5290 834.2 21.1 scans 72% 207 m/z 0.46% 0.0387% 447 2.9 104 91680 2814273 2582217 1-2 14: 207 208 191 133 161 177 119 134 165 149 189 178 73 88 0.868 6.53 -142.6 80 100 88 99 207 78.2 56.880 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6447 863.3 8.5 scans 95% 55 m/z (36) 0.056% 0.907% 636 1.2 645 744906 65827771 59186528 1-6 20: 55 69 41 83 39 42 57 98 70 43 56 97 80 53 54 40 79 68 51 38 0.998 7.71 8.0 98 99 99 100 98 121.9 3.572 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1018 ?? Pyranone 12.0398 977.7 11.0 scans 32% 101 m/z (118) 9.7% 0.00322% 1381 2.0 34 4317 234023 214574 2-0 6: 101 81 55 144 43 73 0.596 18.22 -65.8 64 86 53 85 144 11.8 11.656 -6.181 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2222 982.5 16.4 scans 59% 281 m/z 0.46% 0.0420% 1412 2.5 112 91721 3050179 2777075 2-2 20: 281 282 283 179 265 249 133 205 284 125 134 250 73 251 177 68 147 39 45 208 0.821 12.22 36.2 93 98 88 99 281 78.2 48.924 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6584 993.8 10.8 scans 77% TIC 0.70% 0.0238% 1486 1.7 105 60219 0.0302% 1729070 1606477 2191494 7-0 0.934 13.22 30.2 95 99 93 98 110 30.8 8.580 -0.564 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1016 ?? Limonene 13.8952 1027.1 7.8 scans 43% 93 m/z (95) 6.0% 0.00872% 1695 1.1 69 7008 633293 612000 2-0 6: 93 68 67 121 91 136 0.765 13.89 51.8 66 83 69 85 136 9.4 1.834 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1068 ? a-Toluenol 14.1354 1033.6 >22 scans 22% 79 m/z (82) 5.2% 0.00699% 1736 1.3 39 8019 507817 480275 2-0 2: 79 98 0.695 14.11 54.6 76 94 68 94 108 19.2 23.613 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4359 1041.7 9.7 scans 89% 91 m/z 0.071% 0.190% 1787 1.6 286 593088 13800304 12781222 2-3 19: 91 92 120 65 63 39 89 51 62 50 121 90 64 74 66 38 61 76 52 0.989 14.44 56.9 91 99 98 100 120 92.7 10.526 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1679 1061.6 14.0 scans 86% TIC 0.13% 0.164% 1911 1.7 244 321348 0.198% 11956562 11186955 14368074 2-0 0.966 15.17 64.2 89 100 97 100 123 85.2 12.211 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2198 1063.0 >7 scans 8.1% 94 m/z (122) 2.7% 0.00400% 1920 2.7 54 15250 0.0201% 290431 259478 1458577 0-2 3: 94 109 110 0.924 16.11 -207.2 64 86 69 90 109 31.9 34.931 -0.889 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN 98-86-2 ? Acetophenone 15.2523 1063.8 >12 scans 50% 120 m/z 0.41% 0.0387% 1925 1.4 134 102156 0.104% 2810660 2616630 7546867 0-2 19: 120 105 77 43 51 50 78 107 65 106 89 76 73 42 74 86 63 75 125 0.917 15.29 -181.9 78 99 91 99 120 43.5 10.570 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4235 1068.5 8.7 scans 73% 95 m/z 0.14% 0.134% 1954 1.4 267 297179 9757944 8958312 2-3 20: 95 81 124 43 79 53 39 109 41 65 82 51 96 77 67 55 66 123 80 78 0.908 15.43 66.8 87 99 89 99 124 80.4 9.103 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1028 ?? p-Cymenene 16.2081 1089.7 9.0 scans 14% 117 m/z (148) 11% 0.00137% 2087 1.0 26 3677 99393 87862 2-1 4: 117 132 115 91 0.713 16.25 -184.9 67 96 70 94 132 15.7 34.987 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1002 Undecane 16.6036 1100.7 >11 scans 39% TIC 3.6% 0.00342% 2154 1.3 52 11653 248549 238644 1-0 0.599 16.59 0.7 90 98 65 96 156 8.1 2.432 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7701 1107.7 9.5 scans 73% TIC 1.5% 0.0250% 2182 1.1 120 28060 0.0370% 1815720 1594825 2684943 0-8 0.943 16.82 85.3 77 94 90 93 124 3.3 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9584 1115.7 9.5 scans 65% 71 m/z 0.47% 0.0585% 2215 1.3 170 89383 4250466 3797145 2-2 20: 71 95 43 110 58 128 41 55 85 57 84 78 69 39 42 156 70 72 68 106 0.803 16.97 91.0 77 97 89 99 128 40.9 5.788 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.2653 1128.7 10.1 scans 26% 91 m/z 1.4% 0.00815% 2266 1.2 62 28613 591960 524383 2-4 14: 91 92 122 77 208 65 177 89 120 96 63 194 61 192 0.544 17.05 102.7 69 97 82 96 122 23.0 13.719 0.213 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.1018 1164.0 11.2 scans 67% 73 m/z (339) 0.63% 0.0357% 2407 1.7 122 66324 2595886 2414840 2-2 19: 73 355 267 357 269 162 249 251 356 358 203 155 59 177 45 323 163 250 223 0.850 18.09 122.4 72 95 86 95 355 54.8 20.202 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1018 1164.0 11.2 scans 68% 73 m/z 0.66% 0.0346% 2407 1.7 123 63330 2516797 2341268 2-2 19: 73 355 267 357 269 162 249 251 356 358 203 155 59 177 45 323 163 250 223 0.852 18.13 -167.7 79 99 82 98 355 55.5 20.444 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6975 1189.2 8.2 scans 38% TIC 3.2% 0.00633% 2509 0.7 75 12973 0.00762% 459754 432922 552953 0-1 0.642 18.71 138.4 73 98 68 96 153 3.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN M4942-N1002 Pyranone 18.9254 1198.8 16.7 scans 88% 144 m/z 0.062% 0.810% 2548 0.4 489 675657 58783391 54192185 1-5 20: 144 43 101 44 72 73 45 115 42 55 145 134 53 39 71 133 102 74 119 54 0.975 20.04 -191.7 80 99 97 99 144 209.9 18.407 -1.117 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1267 1207.3 8.4 scans 51% 82 m/z (80) 1.8% 0.0104% 2581 1.7 71 23196 757432 687375 3-4 3: 82 81 54 0.900 19.12 150.2 75 96 93 99 97 9.4 1.751 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7548 1233.8 >19 scans 42% TIC 1.1% 0.0142% 2688 1.2 83 35356 1033466 927394 1-1 0.812 13.76 34.3 75 79 71 82 134 30.7 13.875 5.998 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9248 1241.0 9.3 scans 76% 57 m/z 0.39% 0.0656% 2717 0.9 175 107388 4762817 4053562 5-5 20: 57 45 41 75 87 56 89 85 100 101 72 59 60 43 62 71 44 132 58 55 0.957 19.81 173.5 76 96 91 98 144 2.4 0.000 0.111 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1004 ? Dodecane 20.3109 1257.3 9.3 scans 21% 57 m/z (107) 5.8% 0.00329% 2782 1.6 39 7263 239293 209024 3-3 8: 57 71 85 170 70 98 126 61 0.786 20.32 -0.4 77 89 73 84 170 5.5 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5246 1263.8 8.8 scans 60% 57 m/z (110) 3.0% 0.0218% 2818 1.5 96 13859 1585057 1415866 4-2 16: 57 70 82 55 71 83 69 44 112 67 56 42 54 72 109 45 0.901 20.56 185.1 74 99 96 99 128 8.9 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1034 ?? Decanal 20.5299 1264.0 16.1 scans 24% TIC 3.6% 0.00913% 2819 1.9 61 11572 662947 599113 2-1 0.361 20.57 -143.0 69 96 33 89 138 5.6 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 20.9590 1276.9 14.8 scans 11% 85 m/z (137) 7.1% 0.00859% 2892 1.2 51 5879 623482 544164 4-2 8: 85 101 73 283 87 115 98 86 0.561 22.03 -32.2 75 94 65 93 175 0.0 0.000 -1.075 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9939 1277.9 9.0 scans 80% 137 m/z (282) 0.53% 0.0906% 2898 1.0 210 78536 6576386 6027046 2-4 19: 137 152 109 123 81 67 91 77 79 95 41 93 107 39 119 55 53 138 153 0.976 21.00 192.6 69 91 87 91 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.2477 1285.5 9.1 scans 57% 94 m/z 0.49% 0.0247% 2941 1.2 115 85525 1799469 1695316 1-3 15: 94 138 77 95 66 51 139 65 107 45 74 79 78 63 50 0.912 20.98 200.5 77 97 86 98 152 2.0 0.000 0.265 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2713 1286.3 13.1 scans 13% 55 m/z (94 135) 8.2% 0.00615% 2945 0.6 47 5112 446316 376295 3-2 11: 55 70 41 96 67 42 69 68 87 111 58 0.702 16.82 -5.1 62 81 64 78 124 3.1 0.000 4.456 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0057 1308.3 8.0 scans 26% 175 m/z 1.3% 0.00467% 3069 1.3 53 31285 339464 319935 4-2 9: 175 176 190 191 91 117 103 147 145 0.738 22.01 207.9 69 94 57 93 190 18.4 12.091 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9774 1337.5 12.2 scans 62% 43 m/z (136) 0.44% 0.0788% 3234 0.5 161 95558 5721122 5252346 1-5 18: 43 69 109 86 41 110 148 127 55 67 95 56 170 42 111 147 59 119 0.818 22.91 223.9 71 99 87 98 127 23.8 2.204 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.8458 1363.5 9.8 scans 28% 57 m/z (149) 4.7% 0.00638% 3381 1.5 51 8927 463303 424362 2-2 8: 57 71 85 41 56 84 164 184 0.782 23.86 -0.5 75 87 73 84 184 6.3 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1303 1373.0 7.3 scans 76% 73 m/z 0.21% 0.0878% 3429 1.1 233 193298 6378495 5962025 2-3 20: 73 341 429 342 325 343 147 430 326 74 431 207 327 344 432 148 45 75 251 311 0.921 24.17 -150.8 80 99 91 99 429 71.2 9.305 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1040 Nonanoic acid 24.7112 1392.4 15.6 scans 81% TIC 0.20% 0.258% 3528 1.0 290 205094 18768188 17279975 3-3 0.946 22.70 -82.9 80 95 91 99 158 19.3 0.443 2.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 25.0565 1403.9 11.3 scans 60% TIC 0.93% 0.0298% 3586 0.9 118 45335 2164731 1764129 9-2 0.841 24.70 264.3 71 94 83 97 170 2.4 0.000 0.361 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1004 Nicotine 25.7271 1426.3 >22 scans 96% TIC 0.0058% 13.7% 3700 0.1 1752 7276722 998052833 979708538 0-1 1.000 25.89 269.3 81 100 99 100 162 523.6 8.929 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0991 1472.1 6.3 scans 44% 221 m/z 1.5% 0.0111% 3932 0.9 90 28136 810986 740424 1-2 20: 221 73 147 281 267 222 355 223 148 443 282 205 356 283 357 74 249 268 149 269 0.813 27.12 297.2 75 96 79 95 355 18.5 4.200 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1699 1474.5 7.7 scans 59% 57 m/z 0.75% 0.0228% 3944 1.2 122 56071 0.0366% 1660790 1577747 2655917 1-0 18: 57 71 85 43 41 56 55 126 70 99 68 86 198 98 127 113 72 112 0.921 27.21 -1.3 92 93 87 91 198 15.9 1.697 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9480 1503.6 11.8 scans 72% 118 m/z 0.10% 0.244% 4076 1.7 312 392496 17750022 16598426 7-3 20: 118 146 145 105 78 51 147 104 117 65 58 42 41 63 39 50 64 77 76 119 0.905 27.93 316.9 79 99 89 98 146 140.8 20.331 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 27.9710 1504.4 8.6 scans 6.2% 58 m/z (118) 3.6% 0.0150% 4079 0.9 88 11660 1095506 1001113 1-2 20: 58 161 189 79 69 81 148 121 135 120 67 109 93 136 107 94 133 176 137 144 0.641 45.98 24.7 65 76 57 76 204 20.5 5.415 -18.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6629 1530.5 7.9 scans 82% 43 m/z (166) 0.13% 0.183% 4197 0.9 319 321938 13327852 12107532 7-9 20: 43 69 41 151 136 107 67 125 93 83 109 53 121 81 39 68 108 79 55 91 0.992 28.67 333.1 78 99 99 99 194 19.9 0.388 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0944 1546.7 7.6 scans 71% 71 m/z (180) 0.26% 0.106% 4270 1.2 246 161730 0.132% 7741237 7438268 9578716 1-0 20: 71 57 43 85 70 41 141 113 55 56 99 112 84 183 69 97 179 58 42 140 0.970 29.10 342.8 71 94 94 94 227 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5082 1562.2 8.2 scans 94% TIC 0.017% 1.83% 4340 0.9 1020 2403093 132996569 122924205 2-1 0.993 29.61 -150.9 79 98 97 99 503 176.3 2.987 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1022 ? Nicotyrine 29.6664 1568.2 11.7 scans 64% 158 m/z (177) 0.015% 1.51% 4367 0.6 766 2647667 110167979 103586081 3-2 20: 158 157 130 159 116 89 63 156 90 131 78 104 143 142 42 62 50 128 129 102 0.975 29.68 355.6 78 100 98 100 158 420.0 30.029 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7721 1572.2 7.9 scans 70% 123 m/z 0.048% 0.191% 4385 0.9 339 867331 13920439 12858861 0-3 18: 123 43 135 124 107 91 95 109 79 41 77 39 97 81 93 53 67 136 0.907 29.77 358.2 79 99 90 98 193 28.4 0.703 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9403 1578.5 >11 scans 79% TIC 0.23% 0.109% 4413 0.7 254 177570 0.235% 7963403 7529631 17053017 1-0 0.937 30.38 -16.4 78 80 84 80 212 3.6 0.000 -0.437 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9421 1578.6 8.9 scans 64% 71 m/z (128) 0.25% 0.119% 4413 0.8 230 163478 8676011 7963161 2-3 15: 71 57 85 99 113 69 155 127 84 70 169 72 86 126 42 0.907 29.94 362.2 75 96 85 99 254 6.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5023 1600.2 8.1 scans 73% 191 m/z 0.045% 0.209% 4509 1.1 346 925565 15187215 13989603 2-4 15: 191 206 192 57 163 74 175 115 207 88 147 128 73 161 117 0.903 30.50 375.4 79 99 86 98 206 100.0 8.335 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8825 1616.1 9.5 scans 46% 162 m/z (171) 0.84% 0.0457% 4573 1.2 146 50166 3323216 3155451 1-2 20: 162 147 105 106 148 104 163 119 165 131 91 77 95 133 134 79 78 204 51 145 0.767 30.88 0.1 90 94 70 96 204 15.3 1.087 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9250 1617.9 9.6 scans 23% 171 m/z (159) 0.99% 0.0161% 4580 1.4 84 42337 1172365 1082609 3-3 6: 171 172 156 130 173 94 0.938 30.93 -0.1 94 97 86 97 171 53.1 40.239 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2119 1630.0 9.7 scans 74% 111 m/z 0.065% 0.417% 4629 0.7 446 642380 30320952 28628357 2-2 20: 111 109 137 180 67 43 110 124 95 152 41 79 81 39 77 112 69 73 53 91 0.880 31.18 395.0 77 97 87 98 180 102.4 5.269 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2119 1630.0 9.7 scans 84% 111 m/z (71) 0.065% 0.497% 4629 0.7 474 642410 36102595 34087254 2-2 20: 111 109 137 180 67 43 110 124 95 152 41 79 81 39 77 112 69 73 53 91 0.969 31.20 394.6 74 97 94 96 180 102.4 4.672 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5153 1642.7 10.4 scans 51% 43 m/z (93) 0.80% 0.0366% 4680 1.1 128 52786 2662207 2507143 1-0 20: 43 98 85 57 71 111 55 41 127 68 82 113 126 67 83 99 169 58 39 123 0.925 31.52 0.0 89 96 90 94 166 22.6 3.120 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6269 1647.4 7.4 scans 42% 71 m/z (157) 1.3% 0.0234% 4699 1.5 114 31528 1702860 1571189 1-2 20: 71 85 57 43 99 113 69 55 70 41 127 84 169 83 56 155 126 112 197 111 0.811 31.63 -0.3 71 94 77 89 429 10.2 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7928 1654.4 8.8 scans 18% 193 m/z (57) 1.6% 0.00774% 4727 0.9 63 25806 562286 526278 3-2 5: 193 194 208 197 151 0.662 31.80 -0.1 65 76 37 79 208 15.4 5.988 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9221 1659.8 8.1 scans 32% 71 m/z 1.7% 0.0115% 4749 0.7 90 24590 840627 771815 2-1 18: 71 57 83 85 43 55 99 69 141 41 84 70 56 183 111 97 126 169 0.656 31.92 0.1 74 80 55 77 219 2.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0685 1666.0 6.9 scans 32% 221 m/z 0.80% 0.0205% 4774 0.9 119 52358 1488255 1421484 1-2 18: 221 73 147 222 207 295 341 355 223 282 296 281 297 325 74 148 342 267 0.805 32.08 -0.4 95 98 85 97 355 21.4 3.215 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4362 1681.4 10.9 scans 35% 57 m/z 1.2% 0.0179% 4836 1.1 100 33708 1299283 1220907 1-1 19: 57 85 71 197 56 43 127 41 113 99 141 196 55 110 123 169 69 70 198 0.699 32.44 -0.3 85 89 70 86 226 3.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5667 1686.9 7.4 scans 36% 71 m/z (83) 1.8% 0.0120% 4858 1.1 85 23286 877044 814654 1-1 14: 71 85 57 43 99 113 127 112 169 141 72 126 100 168 0.896 24.54 549.6 65 91 85 92 169 11.7 1.924 8.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6712 1691.3 8.9 scans 73% 205 m/z (161) 1.3% 0.0939% 4876 1.1 212 30725 6819743 6143741 1-10 20: 205 119 91 105 93 43 159 79 107 162 147 187 81 131 146 41 77 145 106 135 0.952 32.67 -0.2 94 97 94 98 220 15.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9321 1702.3 7.8 scans 59% 71 m/z 0.14% 0.0612% 4920 0.9 193 291867 4444050 3998011 6-3 14: 71 43 111 159 243 56 155 72 173 143 98 89 215 73 0.899 32.93 -0.0 94 95 90 97 243 30.8 2.536 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1212 ? Hexadecene 33.0885 1708.8 8.4 scans 25% TIC 3.7% 0.00639% 4947 1.0 80 11231 463976 417154 2-1 0.618 33.09 0.1 78 94 72 91 224 5.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3088 1718.1 7.4 scans 67% 57 m/z (108) 0.38% 0.0661% 4984 0.8 194 110945 4800637 4280156 3-9 19: 57 71 43 85 41 55 56 99 70 113 69 42 112 226 151 98 84 141 126 0.962 33.37 -2.7 92 94 97 98 226 21.1 1.182 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8932 1728.2 7.3 scans 32% 71 m/z (233) 1.5% 0.0176% 5083 0.9 105 28006 0.0177% 1280871 1250193 1284419 6-1 12: 71 43 57 85 70 197 196 113 56 99 112 127 0.794 33.90 -0.1 85 94 87 97 197 19.6 3.438 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2716 1733.7 8.3 scans 20% 57 m/z (173) 2.6% 0.0112% 5147 0.8 80 15955 813675 752387 0-1 19: 57 105 71 211 43 182 210 79 98 41 96 97 78 183 77 131 141 44 162 0.767 34.27 0.1 69 79 57 83 211 13.0 2.621 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4056 1735.6 13.0 scans 96% TIC 0.0081% 5.83% 5170 0.4 1491 5208239 423464625 414865717 2-1 0.991 34.39 452.6 80 99 98 100 415 181.0 1.474 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8312 1741.7 16.7 scans 91% 91 m/z 0.024% 1.36% 5242 0.3 647 1718920 98769859 94467493 1-1 20: 91 155 199 90 65 92 44 89 120 137 63 106 77 39 156 64 134 51 200 121 0.992 34.79 452.7 80 100 98 100 199 182.6 7.971 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9097 1742.8 11.3 scans 33% 69 m/z (71 91) 1.6% 0.0330% 5255 1.6 118 25903 2399831 2296041 0-1 19: 69 83 97 196 55 41 111 82 56 67 146 98 153 123 159 125 96 81 124 0.858 34.90 0.1 83 88 89 98 224 13.4 1.297 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1042 ?? Phytol 35.3495 1749.1 9.1 scans 45% 56 m/z (183) 1.0% 0.0586% 5330 0.9 163 38676 4258581 3843718 2-1 18: 56 55 69 70 41 126 81 111 82 83 67 137 196 96 72 112 68 42 0.844 35.35 451.7 65 92 79 97 196 18.1 1.223 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6902 1753.9 9.0 scans 62% 123 m/z (57) 0.19% 0.112% 5387 1.2 229 217760 8180021 7357127 3-3 19: 123 43 193 209 109 125 105 95 77 79 91 224 121 124 165 131 210 149 177 0.963 35.70 451.2 74 97 93 97 224 22.3 0.952 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9422 1757.5 9.3 scans 44% 91 m/z (85) 0.23% 0.0975% 5430 1.0 214 176920 7076762 6599012 2-3 18: 91 155 184 65 199 92 148 44 89 93 39 63 156 185 149 132 157 90 0.643 35.94 451.1 67 94 53 91 238 6.8 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2008 1775.6 8.3 scans 30% 209 m/z 0.54% 0.0263% 5643 1.1 125 77700 1909065 1824401 2-1 17: 209 224 181 210 165 167 115 178 105 179 225 103 166 194 193 192 152 0.820 37.20 449.3 75 97 75 96 224 44.0 12.300 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3000 1777.0 9.3 scans 57% 71 m/z (135) 0.67% 0.0672% 5660 1.4 171 62249 0.0963% 4882113 4341702 6988109 2-2 20: 71 85 57 43 99 113 41 55 84 127 69 169 211 155 56 246 70 111 126 141 0.948 38.91 -23.0 80 86 92 86 254 4.1 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0568 1787.8 8.6 scans 56% TIC 0.52% 0.0362% 5788 1.0 167 80392 2633832 2511608 1-1 0.890 38.06 448.1 76 98 89 96 225 31.2 3.471 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5674 1795.1 9.2 scans 93% 73 m/z 0.021% 1.57% 5875 1.1 882 1988598 114365537 106274781 2-2 20: 73 429 147 221 355 430 281 207 356 401 357 74 267 282 223 325 459 432 402 75 0.990 38.59 447.0 80 100 99 100 429 260.4 8.720 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4500 1866.9 8.3 scans 53% 74 m/z 0.39% 0.0457% 6025 1.1 166 107147 3321207 3076641 2-2 16: 74 87 213 143 43 75 55 41 256 59 129 199 101 157 185 102 0.811 39.45 505.4 71 94 74 93 256 26.7 2.580 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.9033 1923.2 >23 scans 97% 95 m/z 0.014% 9.73% 6101 0.1 1613 2987841 9.89% 706342644 704567972 717678036 0-1 20: 95 82 123 81 69 55 67 41 43 83 97 96 124 111 110 56 53 125 94 278 1.000 39.94 554.1 81 100 100 100 278 106.6 0.436 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9517 1929.2 >5 scans 68% TIC 0.28% 0.0779% 6109 2.1 275 150483 5657445 4751757 1-2 0.921 39.88 560.9 75 97 91 96 250 27.5 1.004 0.069 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2109 1961.3 8.2 scans 68% TIC 0.50% 0.0676% 6153 1.1 222 83507 4907440 4562939 1-1 0.923 40.24 587.4 79 98 89 98 272 23.4 1.117 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3325 1976.4 7.7 scans 38% 149 m/z (281) 0.19% 0.0361% 6174 1.0 143 217271 2623631 2404013 2-10 9: 149 150 223 104 76 167 205 132 50 0.984 40.31 601.5 71 95 78 95 223 31.8 4.965 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1110 Phytol 40.4181 1987.0 8.3 scans 94% 81 m/z (250) 0.049% 1.27% 6188 0.7 828 856551 92177934 86914945 3-6 20: 81 82 95 68 57 43 69 79 83 55 67 41 71 96 109 111 278 56 137 70 0.998 40.66 -30.2 95 98 99 98 278 95.6 1.334 -0.244 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1006 ?? Contamination 36.58min 40.6058 2010.2 7.1 scans 25% 222 m/z 1.4% 0.0134% 6221 1.2 94 30188 973482 922380 3-7 14: 222 223 282 341 370 297 371 74 399 415 327 416 325 402 0.792 36.58 693.7 69 93 75 92 369 17.3 3.356 4.027 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6058 2010.2 7.1 scans 32% 222 m/z (209) 1.4% 0.0175% 6221 1.2 105 30188 1273779 1206913 3-7 14: 222 223 282 341 370 297 371 74 399 415 327 416 325 402 0.891 40.63 630.1 72 98 89 98 369 17.3 2.682 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1254 Phytol 40.8591 2041.6 8.0 scans 87% 82 m/z (280) 0.19% 0.325% 6263 1.2 413 221764 23623086 21207085 2-4 19: 82 95 81 123 68 57 43 96 67 79 71 55 69 41 83 109 278 124 97 0.993 40.87 -1.1 97 99 99 99 278 52.8 1.631 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BQLD_R~1-N1056 ? Homosalate 41.0126 2060.7 8.2 scans 29% 138 m/z (100) 1.7% 0.0189% 6289 1.1 102 23824 1374397 1302798 1-1 10: 138 120 109 121 124 139 262 93 65 263 0.919 41.00 674.9 70 96 91 99 262 13.2 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2658 2092.1 8.1 scans 93% 79 m/z (238) 0.050% 0.933% 6332 0.7 720 844407 67747775 64519350 1-7 20: 79 93 67 95 80 91 121 108 55 81 41 77 94 107 135 87 59 105 122 69 0.998 41.26 1.1 96 96 98 99 264 51.7 0.517 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4541 2115.4 8.5 scans 56% 205 m/z 0.54% 0.104% 6364 0.8 246 77319 7556302 7137690 2-1 18: 205 217 57 175 55 220 177 232 261 163 203 91 189 191 192 161 109 219 0.772 41.49 -81.2 83 99 83 98 276 17.3 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5746 2124.1 8.4 scans 67% 187 m/z (266) 0.23% 0.185% 6384 1.2 305 180403 13430843 12328095 2-5 14: 187 159 272 105 91 119 161 160 145 188 77 273 131 117 0.945 41.76 726.4 77 98 90 99 272 85.2 7.776 -0.186 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.5763 2124.2 10.2 scans 1.9% TIC 2.4% 0.00607% 6384 2.1 52 17536 441151 396157 2-2 0.028 42.05 -26.4 66 84 3 75 272 81.6 0.000 -0.469 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1008 ? UNK diterpene 41.87min 41.7511 2134.0 8.0 scans 49% 189 m/z (85) 1.4% 0.0475% 6414 0.9 161 29863 3450618 3139814 1-2 19: 189 272 105 147 133 161 91 190 119 159 117 202 107 145 201 131 93 81 175 0.855 41.87 734.6 77 99 90 99 272 37.4 5.421 -0.119 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0492 2150.8 9.9 scans 95% 74 m/z 0.010% 2.97% 6464 0.4 1192 4041125 215673401 208234398 3-1 20: 74 87 143 43 55 227 75 270 41 69 57 239 129 83 59 97 171 199 101 71 0.994 42.01 748.8 80 99 99 99 272 31.0 0.067 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3426 2167.3 8.0 scans 74% 73 m/z 0.20% 0.119% 6514 1.1 264 210286 8664081 8084952 2-3 20: 73 147 281 221 355 429 503 207 341 282 430 356 431 295 222 504 283 148 357 342 0.938 42.37 758.3 75 95 93 98 503 45.4 2.953 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1626 2213.3 8.1 scans 26% 187 m/z (173) 1.8% 0.0192% 6653 1.0 97 22904 1398340 1142097 5-1 14: 187 134 119 161 272 105 162 189 188 159 257 145 204 133 0.729 43.24 -4.1 93 99 80 98 272 23.6 5.884 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2977 2220.9 12.4 scans 14% 264 m/z (279) 2.6% 0.00740% 6676 1.8 48 15948 536963 474947 2-1 5: 264 131 263 219 278 0.485 43.31 -0.5 72 81 27 77 278 15.9 11.102 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8526 2252.0 8.6 scans 49% 71 m/z (205) 1.4% 0.0250% 6770 1.2 113 28271 1815876 1669538 1-3 20: 71 57 85 43 127 267 113 55 99 41 126 69 84 70 56 155 86 281 141 72 0.913 43.94 -4.7 63 63 81 85 282 4.5 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN N419_R~1-N1158 ?? Manool oxide 44.2771 2276.3 8.9 scans 10% 177 m/z (147) 13% 0.00278% 6842 0.9 38 3210 202319 183903 2-0 7: 177 275 257 192 161 276 132 0.582 43.83 838.7 64 93 51 89 275 13.9 13.005 0.450 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1573 2327.0 9.2 scans 67% 137 m/z (167) 2.0% 0.0535% 6991 1.0 160 20391 3885531 3545637 2-2 20: 137 95 81 121 93 55 123 69 107 91 43 204 71 109 41 79 67 108 136 105 0.849 44.90 14.8 82 87 81 86 272 10.8 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7948 2363.7 7.7 scans 58% 73 m/z (110) 0.85% 0.0292% 7099 1.1 128 49376 2120057 1946005 2-4 20: 73 355 147 221 281 356 357 207 282 415 205 222 429 295 223 341 148 503 401 359 0.836 45.78 1.1 94 97 85 96 503 12.4 0.941 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1242 2382.6 8.1 scans 93% TIC 0.037% 1.29% 7155 0.7 860 1123122 94183163 87956748 1-4 0.983 46.13 -0.6 96 94 96 99 292 63.4 0.544 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7606 2419.3 8.8 scans 69% TIC 0.35% 0.0631% 7263 1.0 187 118807 4583501 4100204 3-3 0.869 46.76 924.2 78 98 85 97 298 36.3 3.745 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9348 2544.4 7.5 scans 61% 73 m/z (117) 1.1% 0.0199% 7631 1.3 107 36975 1448417 1314508 3-5 19: 73 147 221 429 355 281 430 356 207 357 431 282 222 283 148 267 268 415 327 0.832 48.95 994.0 71 99 88 99 429 29.9 7.846 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8286 2653.3 7.2 scans 13% 221 m/z (71) 15% 0.000654% 7952 0.8 21 2681 0.000728% 47457 46722 52828 1-0 4: 221 369 295 223 0.426 44.32 1206.0 64 96 48 91 369 7.1 0.000 6.509 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8558 2712.4 8.6 scans 48% 73 m/z 1.8% 0.0115% 8126 1.4 78 22746 839226 735153 2-4 19: 73 147 355 221 429 357 430 503 341 222 356 207 415 431 205 148 74 282 208 0.688 51.86 1081.5 74 98 70 95 503 13.6 3.065 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1421 772.1 >6 scans 79% 77 m/z 0.10% 0.0519% 43 1.6 207 494530 0.145% 4007312 3940100 11195397 6-0 15: 77 45 78 79 62 76 75 59 61 47 63 46 92 64 58 0.996 4.37 18.1 100 100 99 100 77 176.8 73.266 -0.229 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5908 835.8 21.1 scans 56% 207 m/z 0.51% 0.0389% 458 3.2 103 103678 3008100 2755259 2-1 20: 207 208 191 209 133 176 210 177 163 103 193 119 134 179 192 178 161 81 165 117 0.693 6.53 -141.0 78 100 81 99 207 80.9 61.843 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6923 864.5 9.0 scans 89% 69 m/z 0.099% 0.674% 645 1.9 529 537395 52069612 46858727 2-2 20: 69 55 41 83 39 42 57 98 70 97 43 56 80 53 79 40 54 51 68 38 0.968 7.71 9.2 100 99 97 99 98 114.7 4.704 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1018 ?? Pyranone 12.5354 990.6 9.6 scans 27% 144 m/z (57) 4.9% 0.00425% 1465 1.4 44 10795 0.00482% 328874 292315 372150 2-3 3: 144 101 73 0.862 18.22 -52.9 69 82 52 81 144 20.6 22.075 -5.686 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7172 995.3 14.0 scans 44% 281 m/z 0.50% 0.0388% 1495 2.8 114 104807 2998037 2795220 2-1 20: 281 282 43 265 249 193 179 266 133 191 69 41 71 125 55 251 207 58 126 163 0.647 12.22 49.0 89 97 82 99 281 81.4 51.194 0.497 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1016 ?? Limonene 13.1818 1007.7 >10 scans 12% TIC 3.4% 0.00297% 1575 999.0 51 15587 0.0110% 229933 213672 849306 0-3 0.299 13.89 32.4 61 73 15 68 136 24.1 0.000 -0.710 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1022 ?? Octanal 13.3666 1012.7 8.0 scans 37% 57 m/z (107) 3.4% 0.0206% 1606 1.3 105 15266 1592189 1507256 1-4 14: 57 41 56 84 43 44 55 42 69 82 85 68 100 71 0.626 12.96 -162.1 69 95 92 99 110 13.8 0.000 0.412 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.6505 1020.4 11.1 scans 75% 81 m/z (59) 0.098% 0.260% 1654 2.2 297 541779 20086191 17857554 2-2 18: 81 110 53 79 67 41 82 77 65 68 51 50 54 52 111 109 63 80 0.942 13.22 56.8 89 99 98 100 110 81.6 7.534 0.429 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1024 ? p-Cymene 14.1127 1033.0 8.4 scans 34% 119 m/z (87) 2.1% 0.00680% 1732 1.2 58 25126 524990 454019 2-6 7: 119 103 120 115 117 135 104 0.814 13.76 -166.5 74 99 84 98 134 21.6 13.799 0.356 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4593 1042.4 12.9 scans 66% 79 m/z 0.57% 0.0616% 1791 1.6 158 92172 4757064 4424110 2-2 20: 79 108 77 51 90 78 80 62 50 52 105 63 65 53 39 109 64 75 92 76 0.924 14.11 63.4 88 99 92 99 108 72.9 21.184 0.350 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.7969 1051.5 9.7 scans 89% 91 m/z 0.024% 0.677% 1848 1.2 542 2206000 52337536 48017585 2-5 20: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 38 41 66 61 74 52 0.984 14.44 66.7 89 100 98 100 120 176.4 10.593 0.355 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.3158 1065.6 8.6 scans 35% 55 m/z (99) 4.4% 0.00985% 1936 1.2 71 12130 761044 689397 1-1 17: 55 83 41 58 69 39 56 67 42 93 84 68 45 121 53 73 77 0.560 18.83 12.9 73 82 69 86 122 0.0 0.000 -3.514 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4758 1069.9 12.3 scans 79% 105 m/z 0.13% 0.188% 1963 1.5 273 389633 0.246% 14523890 13760359 18993570 2-0 20: 105 77 123 51 46 94 106 50 85 78 66 124 52 74 75 76 39 79 38 53 0.904 15.17 72.5 85 97 94 99 123 95.0 12.068 0.306 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN 98-86-2 ? Acetophenone 15.5573 1072.1 >13 scans 64% 105 m/z 0.26% 0.0774% 1977 1.3 186 202447 0.169% 5981127 5594595 13048428 0-2 20: 105 77 51 107 106 43 121 50 78 140 76 90 63 125 65 62 108 49 74 104 0.949 15.29 -173.6 79 98 95 99 120 59.4 10.169 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.4628 1096.6 >11 scans 60% TIC 1.2% 0.0181% 2130 1.2 111 43522 1400658 1320060 0-1 0.921 16.25 -178.0 79 99 94 99 132 52.4 22.319 0.209 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.5697 1099.5 10.1 scans 35% 95 m/z 0.53% 0.0284% 2148 1.8 117 99285 2198228 2068441 2-2 17: 95 81 124 79 109 55 53 39 96 51 101 66 123 84 82 80 125 0.691 15.43 97.8 75 97 66 95 124 37.4 10.214 1.137 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1002 Undecane 16.8247 1110.0 8.1 scans 46% 57 m/z (59) 3.5% 0.00820% 2192 1.1 67 15047 633345 623470 0-1 11: 57 71 43 69 41 70 56 113 156 96 80 0.893 16.59 10.0 86 91 86 95 156 7.6 1.270 0.238 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 16.9924 1117.1 8.6 scans 85% 57 m/z (267) 0.28% 0.207% 2220 1.3 312 186419 16018167 14048315 6-4 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 96 67 42 39 71 83 54 0.995 16.82 -174.3 77 98 99 98 124 17.2 0.305 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1016 ? Nonanal 16.9924 1117.1 8.6 scans 81% 57 m/z 0.28% 0.183% 2220 1.3 306 186580 14167913 12425598 6-4 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 96 67 42 39 71 83 54 0.962 16.82 94.7 79 98 95 98 124 17.5 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1771 1124.9 9.4 scans 56% 71 m/z (126) 0.66% 0.0556% 2252 1.2 158 80687 4298084 3880710 1-4 14: 71 95 110 43 58 128 84 57 69 70 96 113 45 111 0.935 16.97 100.2 72 94 90 99 128 37.3 5.579 0.209 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.2757 1129.1 10.9 scans 65% 91 m/z 0.26% 0.0702% 2268 1.2 174 200173 5425133 4994056 6-4 19: 91 92 122 65 77 93 119 63 134 89 51 103 94 78 74 62 50 105 64 0.916 17.05 103.1 77 97 94 99 122 58.4 11.257 0.224 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2291 1169.4 10.2 scans 63% 73 m/z 0.81% 0.0332% 2430 1.4 125 65457 2569694 2361890 2-1 19: 73 355 267 356 268 269 251 191 249 357 194 237 340 193 154 177 170 270 192 0.879 18.13 -162.3 78 99 83 98 355 56.8 20.696 0.098 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN M4942-N1002 Pyranone 18.5054 1181.0 20.4 scans 93% 144 m/z 0.069% 0.953% 2476 0.2 517 770912 73589959 69055261 1-2 20: 144 43 101 44 72 73 55 45 42 115 58 56 53 71 74 39 102 85 87 38 0.995 20.04 -209.5 81 100 100 100 144 220.7 18.195 -1.537 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.8696 1196.4 8.7 scans 40% TIC 4.2% 0.00508% 2538 1.0 75 12531 392390 377352 1-0 0.748 18.71 145.6 72 95 72 93 153 3.6 0.000 0.164 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2610 1213.0 8.4 scans 34% 82 m/z (115) 2.8% 0.00751% 2604 1.0 59 18464 580135 448051 1-11 6: 82 81 54 39 83 98 0.857 19.12 155.9 71 96 87 98 97 8.2 1.957 0.140 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9133 1240.5 8.1 scans 54% 57 m/z 0.31% 0.0718% 2715 1.4 203 169127 5547269 4871991 3-8 14: 57 45 75 56 89 72 100 59 58 44 62 131 132 88 0.925 19.81 173.0 75 96 93 97 144 2.9 0.000 0.099 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 20.0857 1247.8 26.0 scans 21% 77 m/z (339) 2.5% 0.0154% 2744 1.5 72 21175 0.0354% 1196621 1103364 2733221 0-2 15: 77 98 43 105 78 71 122 104 49 113 106 59 111 52 74 0.691 20.03 177.1 69 92 83 95 122 36.2 25.515 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4334 1261.1 >20 scans 22% 56 m/z (107) 6.2% 0.00628% 2802 1.1 46 8535 485126 437749 0-1 8: 56 43 170 99 58 148 112 73 0.822 20.32 3.4 85 95 79 92 170 6.4 1.945 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1034 ? Decanal 20.6258 1266.9 8.2 scans 80% 57 m/z 0.83% 0.0746% 2835 1.1 207 64026 5765647 5220164 4-2 20: 57 41 55 43 82 70 71 68 83 44 81 67 56 112 69 96 42 95 39 45 0.944 20.57 -140.1 75 94 96 99 138 10.7 0.000 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0550 1279.8 11.7 scans 39% 94 m/z (137) 0.62% 0.0307% 2908 1.5 108 85268 2371012 2191924 8-4 3: 94 138 66 0.937 20.98 194.8 75 99 91 98 152 5.4 0.000 0.072 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.0958 1281.0 8.9 scans 74% 137 m/z (94) 0.58% 0.0952% 2915 1.0 219 91755 7357231 6910248 2-2 18: 137 152 109 123 81 67 91 79 95 41 93 107 55 39 119 53 153 124 0.976 21.00 195.7 63 86 79 85 155 1.8 0.000 0.095 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9565 1336.8 8.4 scans 76% 69 m/z (57) 0.30% 0.106% 3231 1.1 233 172822 8191068 7539122 3-4 11: 69 43 109 86 41 110 67 128 95 58 111 0.973 22.91 223.2 74 96 95 97 127 28.9 1.537 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.6844 1358.7 >20 scans 86% TIC 0.11% 0.610% 3354 0.1 440 470596 0.674% 47163464 45513930 52039292 1-0 0.972 22.70 -116.6 76 95 93 99 158 30.9 0.491 0.988 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.6844 1358.7 >20 scans 87% 73 m/z 0.11% 0.646% 3354 0.1 444 475020 0.683% 49951759 47357230 52734179 1-3 20: 73 60 57 41 115 43 55 129 98 69 87 61 45 56 39 42 101 83 70 74 0.977 25.35 209.5 77 95 94 99 162 0.0 0.000 -1.670 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.8839 1364.7 9.2 scans 39% 57 m/z (72) 2.0% 0.0173% 3388 1.2 87 26108 1341780 1201856 2-2 11: 57 71 114 85 56 70 44 86 84 99 141 0.842 23.86 0.7 79 92 85 91 184 9.1 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1354 1373.1 7.0 scans 58% 73 m/z 0.42% 0.0502% 3430 1.0 186 125062 3882547 3729533 1-2 18: 73 341 429 342 325 343 147 430 431 326 327 344 74 82 295 432 433 251 0.792 24.17 -150.7 78 99 84 99 429 57.5 9.565 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5929 1388.4 7.9 scans 46% 71 m/z (45) 1.6% 0.0183% 3507 1.2 102 32695 0.0297% 1413663 1325469 2293126 0-2 18: 71 57 85 43 127 113 70 99 84 155 169 55 56 98 154 141 72 86 0.936 24.54 251.1 73 98 94 98 169 11.2 1.218 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7735 1394.4 9.2 scans 65% 43 m/z 0.78% 0.0397% 3538 0.9 149 67835 3072700 2788279 1-3 20: 43 83 55 142 56 82 41 58 85 113 69 70 111 39 71 127 93 68 67 57 0.895 24.70 254.8 70 91 86 97 170 6.3 0.000 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2464 1410.2 8.3 scans 26% 43 m/z (84) 1.3% 0.00976% 3618 0.7 71 40203 753915 724747 4-1 10: 43 145 103 116 133 115 98 146 113 117 0.817 25.24 -149.7 62 81 83 99 145 24.2 11.546 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5587 1420.7 >9 scans 93% 84 m/z 0.0073% 2.86% 3671 6.4 1250 7282277 8.05% 221527465 211934820 621537543 0-4 20: 84 133 162 161 119 42 92 85 134 117 51 118 120 91 104 105 130 52 93 106 0.999 25.89 263.7 78 97 96 97 162 334.1 7.141 -0.333 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8160 1429.3 7.6 scans 67% 93 m/z (143) 0.25% 0.0953% 3715 1.0 240 206554 7365284 7045141 1-2 19: 93 121 43 136 91 79 77 194 94 81 123 95 71 107 108 67 137 122 109 0.984 25.78 274.0 73 96 94 97 194 36.5 2.323 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1029 1472.3 6.9 scans 20% 221 m/z 3.8% 0.00453% 3932 1.3 57 13821 350028 330615 1-1 12: 221 73 147 222 355 267 223 148 268 283 356 249 0.706 27.12 297.4 71 94 67 92 355 12.9 5.204 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1885 1475.1 8.0 scans 69% 57 m/z (142) 0.68% 0.0363% 3947 1.1 147 78390 0.0698% 2806515 2715469 5389232 1-0 17: 57 71 85 43 41 99 56 70 55 198 84 98 112 42 127 113 69 0.984 27.21 -0.7 95 97 95 97 198 17.8 1.456 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 27.9737 1504.5 7.4 scans 19% 161 m/z (101) 7.7% 0.00820% 4081 1.3 68 6921 0.0166% 633151 532597 1281680 1-2 18: 161 204 93 119 121 137 162 69 148 109 205 134 79 149 133 176 82 106 0.840 45.98 24.8 69 77 64 78 204 17.1 6.246 -18.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1032 ? Myosmine 28.0315 1506.7 13.0 scans 49% 118 m/z (161) 0.55% 0.0680% 4090 1.2 154 96584 5250253 4925492 2-3 15: 118 146 145 51 78 90 64 124 42 50 52 62 123 87 38 0.781 27.93 320.0 71 96 87 96 146 67.9 19.452 0.101 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6709 1530.8 8.0 scans 71% TIC 0.20% 0.101% 4198 1.1 269 264206 7830571 7079165 6-2 0.950 28.67 333.4 78 98 93 97 194 18.2 0.457 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1024 1547.0 7.7 scans 75% 71 m/z (205) 0.20% 0.163% 4271 1.3 306 257842 0.203% 12659532 11841425 15673555 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 97 183 69 127 42 155 140 0.969 29.10 343.1 72 95 95 95 227 6.4 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5263 1562.9 7.2 scans 54% 73 m/z 0.29% 0.0897% 4343 1.1 241 183989 6933222 6226866 2-3 20: 73 281 147 327 282 415 341 503 283 399 328 416 221 504 329 148 342 505 417 74 0.942 29.61 -150.2 79 99 91 98 503 42.7 3.148 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6727 1568.4 9.7 scans 46% 158 m/z 0.042% 0.559% 4368 0.8 529 1248743 43183642 40972760 3-1 20: 158 157 130 178 159 77 105 79 117 116 107 119 89 63 131 156 78 39 90 51 0.507 29.68 355.8 76 98 89 99 158 280.9 28.181 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6727 1568.4 9.7 scans 69% 158 m/z (100) 0.043% 0.881% 4368 0.8 648 1218351 68070632 64585605 3-1 20: 158 157 130 178 159 77 105 79 117 116 107 119 89 63 131 156 78 39 90 51 0.751 29.68 355.9 77 99 76 99 192 64.9 1.004 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7742 1572.2 7.8 scans 68% 123 m/z 0.067% 0.164% 4385 1.1 318 792223 12689846 11818579 1-2 15: 123 135 124 107 91 95 79 109 77 125 81 39 93 53 67 0.927 29.77 358.2 79 99 92 98 193 26.5 0.694 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 29.9478 1578.8 >9 scans 85% TIC 0.17% 0.190% 4415 0.6 333 312522 14744419 13231246 1-1 0.958 30.38 -16.1 78 80 87 80 212 0.0 0.000 -0.429 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9478 1578.8 8.4 scans 55% 71 m/z 0.18% 0.133% 4415 0.8 268 285364 10327729 9639746 1-4 16: 71 85 57 99 113 127 69 84 155 70 56 169 86 126 72 42 0.832 29.94 362.4 70 91 71 91 254 8.4 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5074 1600.4 7.9 scans 68% 191 m/z 0.074% 0.144% 4509 1.1 297 719889 11185104 10444276 1-5 18: 191 206 192 57 163 74 175 115 73 207 88 107 77 147 128 161 129 117 0.898 30.50 375.6 79 99 86 98 206 85.9 8.332 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8876 1616.4 9.3 scans 55% 162 m/z (180) 1.0% 0.0463% 4574 1.1 150 52096 3581268 3334896 1-2 17: 162 147 161 105 91 148 103 119 134 204 77 163 133 104 51 165 79 0.909 30.88 0.4 91 93 82 96 204 18.4 1.499 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9507 1619.0 9.8 scans 6.2% 171 m/z (71) 5.6% 0.00281% 4585 1.0 35 9448 0.00394% 217203 205267 304206 1-0 6: 171 172 185 173 156 94 0.554 30.93 1.0 79 92 69 91 171 24.4 48.874 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2146 1630.1 10.7 scans 78% TIC 0.093% 0.422% 4629 0.8 425 574086 32633279 27388504 3-5 0.926 31.18 395.1 77 97 93 98 180 93.7 4.860 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5186 1642.9 10.4 scans 53% TIC 0.70% 0.0319% 4681 1.3 145 75684 2469291 2248786 1-1 0.818 31.52 0.2 88 92 77 90 166 25.7 3.164 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7984 1654.6 8.3 scans 21% 193 m/z (57) 1.7% 0.00987% 4728 1.1 72 30288 762678 699652 4-1 3: 193 152 209 0.703 31.80 0.1 65 76 42 81 208 15.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9206 1659.8 7.4 scans 53% 71 m/z (218) 1.1% 0.0386% 4749 0.7 143 45519 2981201 2590307 3-1 20: 71 57 85 43 83 55 82 99 69 70 41 84 155 113 56 126 111 169 127 97 0.911 31.92 0.1 79 87 89 90 219 7.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0735 1666.2 6.8 scans 29% 221 m/z 1.0% 0.0190% 4775 1.1 110 49599 1474124 1311252 1-6 17: 221 73 147 222 207 223 341 295 296 281 325 148 267 355 191 356 326 0.844 32.08 -0.2 95 98 84 97 355 20.4 3.409 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4407 1681.6 11.5 scans 42% 57 m/z 0.88% 0.0310% 4837 0.9 132 60689 2396473 2300502 0-1 20: 57 85 71 197 56 43 196 41 55 113 67 198 69 127 123 141 86 84 97 142 0.765 32.44 -0.1 82 85 74 83 226 5.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6668 1691.1 8.6 scans 53% 107 m/z (142) 2.5% 0.0444% 4876 1.3 152 20801 3433134 3164371 1-2 20: 107 43 79 106 177 131 77 135 145 67 109 81 187 120 82 202 174 53 164 137 0.951 32.67 -0.4 92 96 91 96 220 10.5 0.481 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8652 1699.5 7.8 scans 22% 70 m/z (149) 1.4% 0.0166% 4909 1.4 91 37812 0.0179% 1289182 1099172 1382052 10-0 4: 70 201 96 196 0.791 32.87 -0.0 69 83 75 82 186 4.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 7.9 scans 56% 71 m/z 0.13% 0.0714% 4920 0.9 209 383627 5519677 5114173 5-2 13: 71 43 159 111 56 243 155 72 173 98 143 89 244 0.876 32.93 0.0 96 98 95 97 243 34.5 2.739 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3091 1718.1 7.3 scans 61% 57 m/z 0.33% 0.0664% 4984 0.7 219 160431 5132744 4638502 3-1 19: 57 71 85 43 41 55 99 56 70 69 113 98 112 42 226 84 83 72 126 0.897 33.37 -2.7 94 97 88 95 226 25.8 1.388 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8935 1728.2 7.6 scans 46% 71 m/z 1.0% 0.0245% 5083 1.0 133 50356 1896809 1721770 9-1 19: 71 57 43 85 70 197 41 99 196 55 169 56 113 168 127 155 42 141 198 0.861 33.90 -0.1 90 95 88 93 197 26.1 3.826 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2725 1733.7 8.5 scans 29% 57 m/z (44) 1.5% 0.0194% 5148 0.9 100 35230 1503514 1303968 1-3 15: 57 71 85 210 211 43 41 98 182 183 113 54 70 58 166 0.868 34.27 0.1 88 95 90 94 211 19.3 3.770 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.4130 1735.7 8.5 scans 94% 355 m/z 0.016% 2.23% 5171 0.7 1119 3163344 172652073 159895557 2-2 20: 355 73 221 147 401 282 222 415 402 327 283 207 148 223 149 339 191 133 399 131 0.996 34.39 452.7 81 100 99 100 415 138.7 1.538 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8015 1741.2 13.4 scans 87% 91 m/z 0.040% 0.841% 5237 0.3 548 1310701 64960884 60700697 1-2 20: 91 155 199 90 65 184 89 92 120 44 63 106 39 77 200 64 156 51 157 109 0.986 34.79 452.2 80 99 98 99 199 155.2 8.010 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9030 1742.7 8.0 scans 32% 68 m/z (71) 1.3% 0.0334% 5254 1.2 133 38340 2579591 2387457 2-2 2: 68 224 0.926 34.90 -0.0 92 94 96 98 224 18.0 1.826 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1212 ? Hexadecene 35.3481 1749.1 8.7 scans 44% TIC 0.23% 0.122% 5329 0.9 267 225723 9456423 8368437 4-1 0.544 33.09 40.4 72 86 71 85 224 0.0 0.000 2.263 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3487 1749.1 8.4 scans 73% 57 m/z (222) 0.24% 0.234% 5329 0.8 345 214966 18126694 16284332 3-1 20: 57 71 43 69 85 55 95 41 56 126 81 70 111 82 83 67 137 96 97 109 0.933 35.35 451.7 72 96 96 99 196 27.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6917 1754.0 8.4 scans 54% 123 m/z (71) 0.29% 0.100% 5388 1.0 228 182950 7725708 7069997 4-2 17: 123 193 209 109 124 105 175 167 79 77 131 165 194 107 121 195 181 0.968 35.70 451.3 74 96 92 98 224 23.1 1.023 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9372 1757.5 9.5 scans 49% 91 m/z (85) 0.40% 0.103% 5429 1.3 219 131450 7979104 7665379 1-3 16: 91 155 184 148 65 199 92 105 44 220 89 161 133 51 93 187 0.897 35.94 451.1 69 94 79 93 238 5.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1186 ?? Cotinine 36.1899 1761.1 11.4 scans 14% 98 m/z (57) 1.2% 0.0215% 5472 1.3 87 41818 1662302 1462061 3-4 13: 98 176 118 80 78 175 115 177 121 50 52 64 415 0.806 36.19 -88.7 66 91 76 92 176 31.6 13.033 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5181 1765.8 7.0 scans 11% 221 m/z 0.82% 0.0274% 5528 1.0 136 64585 2119436 1943178 2-4 16: 221 73 147 207 295 222 281 341 223 296 148 327 370 355 369 267 0.665 36.58 449.3 75 98 76 97 369 23.6 3.016 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1988 1775.5 8.0 scans 26% 209 m/z (71) 0.72% 0.0303% 5643 1.1 132 74054 2342271 2222460 1-1 20: 209 224 181 210 167 165 179 178 105 184 225 166 103 194 104 77 182 193 152 89 0.832 37.20 449.2 74 97 88 98 224 42.6 10.457 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1016 Octadecane 37.3033 1777.0 9.1 scans 61% 71 m/z (91) 0.43% 0.119% 5661 1.0 235 123275 0.171% 9247353 8190936 13202847 1-4 20: 71 85 57 43 99 113 127 55 69 41 84 155 126 224 169 70 111 141 211 83 0.972 38.91 -23.0 80 84 94 85 254 3.3 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0601 1787.8 9.0 scans 58% 57 m/z 0.41% 0.0671% 5789 1.0 208 129570 5184933 4892350 2-1 20: 57 71 85 43 56 41 225 99 55 224 113 69 127 70 141 239 98 155 83 42 0.910 38.06 448.1 76 98 91 97 225 39.0 3.502 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5937 1795.5 9.4 scans 94% 73 m/z 0.021% 1.98% 5879 1.0 990 2506130 153073378 143512356 2-3 20: 73 147 221 430 281 341 431 207 356 401 222 357 148 342 295 267 325 432 459 343 0.990 38.59 447.4 80 99 98 100 429 296.2 8.962 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4597 1868.2 11.8 scans 28% TIC 0.94% 0.0149% 6026 1.7 109 56801 1155861 1075547 1-2 0.653 39.45 506.7 69 94 63 91 256 19.1 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8677 1918.7 >11 scans 98% 278 m/z 0.019% 4.46% 6095 0.1 1481 2755644 345012754 319579425 1-0 6: 278 264 279 250 265 164 0.998 39.94 549.6 80 99 99 99 278 87.1 0.346 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4137 1986.4 7.8 scans 33% 149 m/z (81) 0.15% 0.0589% 6187 0.9 184 340848 4552743 4317744 2-2 9: 149 150 223 104 76 167 205 132 50 0.853 40.31 611.5 73 97 88 97 223 39.4 4.572 0.109 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N406_R~1-N1110 Phytol 40.4515 1991.1 7.5 scans 64% 81 m/z (149) 0.36% 0.167% 6194 0.9 327 144871 0.205% 12958798 12761244 15827975 2-2 16: 81 82 95 68 123 69 67 55 83 79 109 96 124 97 110 278 0.952 40.66 -26.1 89 93 95 93 278 32.3 0.974 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6103 2010.8 6.9 scans 24% 221 m/z (185) 1.7% 0.0136% 6220 0.9 95 29762 1056525 998265 1-3 19: 221 73 295 147 281 223 222 207 369 355 267 296 283 148 297 371 325 401 208 0.833 40.63 630.7 70 98 85 97 369 17.3 3.309 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1254 Phytol 40.8854 2044.9 8.1 scans 80% 81 m/z (222) 0.35% 0.226% 6268 1.2 352 151179 17481181 16734759 1-3 19: 81 82 95 123 68 57 43 79 69 67 71 41 96 109 124 278 111 53 110 0.976 40.87 2.2 97 99 98 99 278 44.1 1.568 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BQLD_R~1-N1056 ?? Homosalate 41.0755 2068.5 >11 scans 47% TIC 0.89% 0.0416% 6300 0.0 172 59518 0.139% 3214413 3129163 10732139 1-0 0.778 41.00 682.7 62 82 80 86 262 4.7 0.000 0.074 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1451 2077.1 9.5 scans 60% 109 m/z (74) 0.70% 0.177% 6312 0.7 275 75557 13725079 13102519 1-1 20: 109 81 262 191 95 43 123 177 67 79 229 121 41 135 55 93 136 91 137 122 0.865 41.13 689.3 74 97 83 97 262 54.7 3.963 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2727 2092.9 7.7 scans 69% 79 m/z (210) 0.35% 0.148% 6333 1.0 293 149755 11467598 10503382 1-2 20: 79 67 93 95 80 91 108 121 55 41 77 81 94 107 87 135 78 59 105 122 0.979 41.26 1.9 94 97 96 98 264 21.1 0.519 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4722 2117.7 8.2 scans 75% 205 m/z 0.27% 0.253% 6367 0.7 385 193908 19537697 17757807 2-2 20: 205 217 57 175 189 220 177 232 55 91 191 203 206 161 192 115 77 135 109 163 0.908 41.49 -78.9 85 99 91 99 276 26.3 0.467 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.6091 2126.1 8.3 scans 9.8% 187 m/z (43 69) 3.0% 0.0112% 6390 1.6 72 17429 872270 788417 2-2 7: 187 272 159 273 160 253 188 0.657 41.76 728.4 63 93 54 91 272 27.3 14.167 -0.152 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6398 2127.8 8.9 scans 39% 43 m/z (69) 0.69% 0.0795% 6395 0.7 181 76797 0.0863% 6144540 5161247 6663191 2-6 18: 43 71 85 57 99 113 127 136 141 135 107 211 155 125 126 105 84 138 0.807 41.48 8.8 61 68 74 75 268 2.0 0.000 0.157 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6587 2128.9 11.6 scans 37% 69 m/z (57) 0.53% 0.0699% 6399 0.7 164 100585 5399405 4914295 2-2 17: 69 93 67 95 91 203 53 121 77 123 94 148 65 39 109 80 68 0.848 41.75 731.4 64 91 82 88 272 3.1 0.000 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0324 2149.8 8.4 scans 91% 74 m/z 0.024% 1.19% 6462 0.7 828 2176174 92487255 86821175 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 239 83 59 97 185 101 171 199 88 0.987 42.01 747.8 80 99 98 99 272 19.8 0.057 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2160 2160.1 8.1 scans 38% 257 m/z (258) 4.3% 0.0246% 6493 1.0 119 12269 1903356 1776226 1-9 12: 257 93 79 91 201 137 77 109 120 119 107 161 0.865 42.05 9.5 73 81 75 80 272 8.2 0.473 0.171 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3353 2166.8 8.2 scans 79% 73 m/z 0.17% 0.174% 6513 1.0 314 296794 13481415 12772492 2-4 20: 73 147 281 221 355 429 503 341 207 282 504 356 148 283 222 74 415 295 505 357 0.955 42.37 757.8 75 94 94 98 503 53.9 2.941 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.4102 2171.0 8.6 scans 16% 85 m/z (129) 11% 0.00798% 6526 0.8 66 4661 616439 606409 3-0 20: 85 161 93 159 81 95 141 121 105 77 115 91 189 79 229 134 66 238 107 119 0.732 42.40 0.6 70 82 59 79 272 5.9 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1248 ?? Diterpene 42.9min RI2199 42.9185 2199.6 9.5 scans 2.9% 148 m/z (92) 16% 0.00103% 6612 0.6 23 3231 79644 79644 0-0 8: 148 243 133 190 175 272 244 106 0.424 42.90 0.9 63 79 39 75 272 5.2 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0076 2204.6 7.7 scans 76% 82 m/z 0.084% 0.164% 6627 0.9 324 634532 12738029 12054210 2-2 18: 82 81 95 43 83 41 109 55 96 292 69 53 94 67 137 108 135 107 0.920 43.03 782.5 69 91 88 90 292 41.8 1.664 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N419_R~1-N1158 ?? Manool oxide 43.7757 2247.7 9.9 scans 16% 136 m/z (74) 7.6% 0.0104% 6757 1.6 61 6966 805633 525286 4-3 13: 136 147 68 82 53 122 107 161 153 152 138 179 120 0.480 43.83 810.1 66 97 40 91 275 23.9 0.000 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8524 2252.0 8.4 scans 43% 71 m/z (205) 1.6% 0.0254% 6770 1.5 111 31597 1963942 1736446 2-3 18: 71 85 57 127 43 99 183 70 113 268 126 239 141 84 240 98 112 42 0.877 43.94 -4.7 63 78 82 76 282 4.8 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1238 Trachylobane 44.1700 2270.2 8.6 scans 23% 81 m/z (129) 10% 0.00793% 6823 0.6 62 5176 612303 546587 1-2 20: 81 272 92 122 201 77 111 133 177 98 135 43 215 41 83 121 159 150 72 113 0.650 44.15 0.9 84 96 64 89 272 8.9 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1972 2329.3 >3 scans 44% 104 m/z 0.51% 0.0803% 6997 999.0 311 103275 0.232% 6205365 5345808 17912635 0-4 5: 104 174 195 129 102 0.498 44.90 17.1 87 90 48 89 272 31.8 0.000 0.296 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7964 2363.8 10.9 scans 33% TIC 1.6% 0.0162% 7099 1.4 99 33050 1256705 1128380 3-1 0.672 45.78 1.2 93 95 78 94 503 9.9 0.997 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9115 2370.4 7.9 scans 24% 74 m/z (204) 1.5% 0.0116% 7119 1.1 81 33566 0.0140% 899664 853141 1080935 1-0 14: 74 87 255 199 143 75 213 298 256 144 200 227 299 130 0.753 45.92 891.7 67 92 60 90 298 17.3 4.503 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1010 2381.3 8.1 scans 81% 79 m/z 0.25% 0.208% 7151 1.0 350 210486 16119002 14974682 2-4 20: 79 67 93 95 108 80 81 55 91 41 107 94 77 121 135 69 109 149 59 122 0.953 46.13 -1.9 95 96 95 98 292 26.0 0.549 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN HCMIX_~1-N1022 ?? Henicosane 46.1848 2386.1 9.3 scans 22% 57 m/z (128) 2.7% 0.0109% 7165 1.5 67 19720 844100 758430 1-2 16: 57 71 85 113 99 141 155 197 43 72 168 127 126 154 86 182 0.850 46.28 -5.6 69 78 57 73 296 5.4 0.000 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4256 2400.0 8.7 scans 27% 177 m/z (191) 3.1% 0.0101% 7206 1.1 72 16823 780024 697201 2-3 6: 177 290 195 148 179 193 0.807 46.49 -4.0 87 92 68 90 290 12.1 2.809 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7562 2419.0 8.6 scans 61% TIC 0.56% 0.0416% 7262 1.0 161 95046 3219491 2988398 3-2 0.861 46.76 923.9 76 97 83 96 298 31.2 3.726 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2645 2448.3 8.2 scans 29% 134 m/z (98) 7.7% 0.00663% 7348 0.9 61 6874 512177 482138 2-3 2: 134 272 0.702 47.36 -5.2 77 87 65 89 272 6.4 1.114 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4994 2461.8 7.9 scans 54% 138 m/z (95) 1.7% 0.0187% 7387 1.3 103 30278 1450242 1359052 2-2 5: 138 120 121 139 168 0.942 47.50 949.0 76 99 95 99 168 13.1 1.635 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN N419_R~1-N1164 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8537 2539.7 14.0 scans 42% TIC 7.1% 0.0126% 7617 0.8 74 7456 0.0181% 978287 813572 1397494 2-2 0.623 48.96 988.9 66 91 54 87 290 7.0 0.000 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9346 2544.4 7.9 scans 30% 73 m/z 3.6% 0.00524% 7631 1.1 56 14822 404625 375476 7-4 17: 73 147 429 221 281 357 430 223 355 325 341 327 431 222 295 401 75 0.647 48.95 994.0 70 98 63 95 429 18.4 10.850 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3513 2625.9 7.8 scans 48% 74 m/z (44) 3.5% 0.00808% 7871 1.1 68 15223 624348 583528 2-4 12: 74 87 326 143 43 283 75 199 83 101 327 129 0.735 50.36 1038.9 69 95 76 93 326 15.2 5.027 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8567 2712.5 8.2 scans 40% 73 m/z (59) 4.6% 0.00581% 8125 0.9 55 11373 449189 413963 6-5 12: 73 221 222 430 223 295 356 148 357 431 296 75 0.721 51.86 1081.6 69 94 73 92 503 9.0 2.698 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6147 2871.2 8.6 scans 28% 221 m/z (207) 7.0% 0.00323% 8593 1.7 41 7628 0.00341% 249359 243251 263285 0-3 7: 221 356 223 431 222 369 341 0.532 45.81 1394.7 63 96 58 92 503 6.4 0.000 8.803 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1256 771.7 8.9 scans 81% 77 m/z 0.066% 0.163% 40 4.4 246 710154 0.166% 10608565 10335841 10780525 2-1 16: 77 45 78 79 62 76 59 75 63 61 46 47 92 58 133 93 0.996 4.37 17.7 100 99 99 99 77 211.2 73.603 -0.245 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.2461 826.9 >4 scans 42% 57 m/z 0.87% 0.00634% 400 999.0 77 54575 0.0186% 411806 349982 1207938 0-11 6: 57 39 59 102 86 51 0.769 6.03 -134.7 73 96 80 97 102 8.5 0.000 0.213 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5926 835.9 18.1 scans 70% 207 m/z 0.45% 0.0469% 458 2.9 108 105350 3050702 2794433 2-2 20: 207 208 96 209 191 134 210 133 97 192 149 177 103 132 161 67 115 176 189 147 0.815 6.53 -140.9 79 100 86 99 207 81.3 56.565 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6876 864.4 8.6 scans 90% 69 m/z 0.25% 0.259% 644 2.3 308 184830 16854521 15759790 1-3 20: 69 55 41 83 39 42 57 98 70 56 97 43 80 53 40 79 54 51 68 38 0.970 7.71 9.1 100 100 97 100 98 65.6 4.546 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2414 983.0 13.5 scans 29% 281 m/z (57) 0.48% 0.0457% 1415 2.3 109 98156 2969621 2710824 3-2 20: 281 43 282 283 55 71 265 191 193 68 119 108 249 133 58 125 163 251 177 284 0.557 12.22 36.7 89 97 76 99 281 78.5 51.566 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6866 994.5 10.0 scans 89% 81 m/z 0.095% 0.261% 1491 1.8 296 497429 16957303 15899758 1-3 20: 81 110 53 39 67 79 41 68 65 77 51 82 95 50 66 55 54 40 109 52 0.973 13.22 30.9 95 96 95 99 110 88.3 8.889 -0.535 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1016 ? Limonene 12.7474 996.1 >9 scans 18% 94 m/z (117) 3.0% 0.0155% 1501 2.5 82 15376 0.0537% 1008661 952612 3487435 0-2 14: 94 91 77 281 103 79 78 121 68 92 83 84 109 80 0.708 13.89 20.8 71 77 52 80 136 24.3 0.000 -1.145 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9368 1001.1 10.1 scans 51% TIC 1.7% 0.0277% 1533 1.7 113 26715 1801958 1569569 1-2 0.785 12.96 -173.7 67 90 75 88 110 4.3 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1024 ? p-Cymene 13.7397 1022.9 8.1 scans 40% 119 m/z 1.3% 0.00882% 1669 1.2 65 34944 573412 502032 2-5 12: 119 91 117 120 92 115 103 94 118 121 136 116 0.828 13.76 -176.6 75 97 80 96 134 25.0 14.987 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1028 1032.7 11.5 scans 82% 79 m/z 0.29% 0.134% 1731 1.5 212 158611 8756631 8291140 1-4 20: 79 108 107 77 51 91 78 89 50 80 90 65 39 109 52 105 74 53 49 76 0.974 14.11 53.7 92 100 97 99 108 95.7 20.338 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4587 1042.3 10.1 scans 91% TIC 0.054% 0.322% 1791 1.6 336 874228 20928464 18568132 3-4 0.979 14.44 57.5 91 100 99 100 120 110.3 10.775 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1837 1062.0 >11 scans 88% 105 m/z 0.10% 0.212% 1914 1.0 287 465867 13775155 13265289 2-0 19: 105 77 123 51 46 106 78 124 74 75 76 52 94 79 66 73 80 104 39 0.968 15.17 64.6 89 100 98 99 123 103.2 12.903 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN 98-86-2 ? Acetophenone 15.2805 1064.6 9.6 scans 85% TIC 0.045% 0.425% 1930 1.1 431 1041096 27608566 25281353 1-3 0.987 15.29 -181.1 79 98 98 99 120 153.2 12.628 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4345 1068.8 8.8 scans 53% 95 m/z (99) 0.37% 0.0765% 1956 1.6 171 126537 4970129 4689249 1-4 15: 95 81 124 79 53 109 65 39 82 96 66 125 89 92 64 0.776 15.43 67.1 83 97 94 97 124 50.8 8.779 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2191 1090.0 8.1 scans 59% 132 m/z 0.67% 0.0317% 2089 1.3 132 70095 2064854 1858252 1-3 19: 132 117 115 91 131 92 116 65 118 133 63 89 128 64 51 127 104 102 75 0.869 16.25 -184.6 78 99 89 99 132 66.4 25.360 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1002 Undecane 16.6182 1101.3 8.3 scans 50% 57 m/z (105) 3.3% 0.0110% 2156 0.9 69 14062 716346 637578 2-1 11: 57 85 41 55 70 99 112 156 107 98 86 0.826 16.59 1.3 88 97 90 96 156 9.6 1.913 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1016 Nonanal 16.7864 1108.4 8.2 scans 88% 57 m/z 0.16% 0.338% 2185 1.2 386 292912 21981646 19347049 8-4 20: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 39 42 71 54 83 0.975 16.82 86.0 81 98 97 98 124 25.2 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9724 1116.3 >13 scans 64% TIC 0.59% 0.0516% 2217 1.4 156 79265 0.0993% 3351626 3072452 6448832 2-0 0.913 16.97 91.6 80 99 96 98 128 37.6 5.764 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0556 1119.8 12.3 scans 73% TIC 0.24% 0.0781% 2231 1.4 174 195473 0.131% 5073098 4657091 8507523 0-3 0.918 17.05 93.8 81 100 97 99 122 59.2 11.565 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0721 1162.7 9.0 scans 71% 73 m/z 0.51% 0.0551% 2403 1.6 153 92681 3582262 3362937 2-2 20: 73 355 356 267 269 251 74 357 193 249 191 252 207 358 163 359 281 203 323 59 0.886 18.13 -169.0 79 99 86 98 355 68.7 20.250 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7091 1189.6 8.4 scans 43% 98 m/z 3.8% 0.0101% 2511 1.1 75 12220 659076 624517 1-2 16: 98 55 69 111 82 125 41 53 97 135 39 83 107 100 42 84 0.710 18.71 138.8 71 96 72 94 153 2.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8331 1194.9 8.5 scans 54% 70 m/z 2.7% 0.0165% 2532 1.0 94 17183 1074531 985972 1-2 18: 70 55 83 41 69 57 84 39 56 96 42 79 93 97 53 68 54 112 0.807 18.83 142.2 73 99 87 98 122 8.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1359 1207.7 >8 scans 21% 43 m/z (109) 6.3% 0.00329% 2583 0.4 40 7517 214255 185396 1-0 4: 43 71 111 97 0.729 19.12 150.6 67 91 86 91 97 8.9 4.937 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.5728 1226.1 17.4 scans 25% 122 m/z (87) 1.4% 0.0267% 2657 1.2 79 31817 1735517 1606532 1-3 15: 122 105 134 133 77 103 76 51 74 106 78 123 94 79 129 0.700 20.03 155.4 71 95 91 96 122 37.3 22.218 -0.456 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7953 1235.5 8.0 scans 75% 57 m/z 0.17% 0.144% 2695 1.0 265 268842 9400857 8626193 2-4 19: 57 45 41 75 87 56 89 100 72 101 59 85 73 60 71 44 58 55 132 0.932 19.81 168.0 77 97 94 99 144 0.0 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3272 1257.9 10.6 scans 34% 57 m/z (132) 4.0% 0.00822% 2785 1.1 54 11849 533959 474147 3-2 8: 57 85 113 84 70 83 112 170 0.814 20.32 0.2 83 95 81 93 170 6.8 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1034 ? Decanal 20.5261 1263.9 8.2 scans 81% TIC 0.59% 0.105% 2819 1.0 225 79582 6873075 6059266 5-2 0.931 20.57 -143.1 77 99 98 98 138 12.8 0.323 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5261 1263.9 8.1 scans 84% 57 m/z (126) 0.59% 0.120% 2819 1.1 229 80203 7842243 7075228 5-3 20: 57 41 43 55 70 82 71 68 83 56 44 67 81 112 69 96 84 95 42 39 0.981 16.82 -27.5 69 73 84 75 124 4.7 0.000 3.711 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9470 1276.5 >6 scans 69% TIC 0.23% 0.0221% 2890 0.3 176 200154 0.129% 1441651 1441651 8377637 0-0 0.976 20.98 191.5 79 99 95 99 152 4.7 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 21.0822 1280.6 7.3 scans 14% 71 m/z (45) 4.3% 0.00486% 2913 1.3 47 11045 0.00531% 315680 270492 344847 6-2 5: 71 85 57 70 141 0.753 33.32 13.6 63 77 63 78 226 0.0 0.000 -12.237 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1785 1283.5 7.7 scans 17% 281 m/z 1.3% 0.00832% 2929 1.5 61 36517 540402 479335 2-3 17: 281 282 283 207 265 193 267 194 249 251 268 133 191 252 195 223 179 0.661 12.25 130.4 75 97 61 95 281 47.9 62.361 8.927 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8934 1334.9 8.4 scans 63% 69 m/z (107) 0.29% 0.105% 3219 1.2 207 159693 6858601 6201833 3-3 10: 69 43 109 86 41 110 67 128 95 170 0.850 22.91 221.3 72 97 83 96 127 28.5 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.2558 1345.8 19.7 scans 76% 60 m/z 0.27% 0.265% 3281 0.2 260 170730 17263722 15915892 1-10 20: 60 73 57 41 129 115 55 87 98 39 45 61 42 74 101 70 84 97 158 96 0.892 25.35 196.6 76 96 89 99 162 0.0 0.000 -2.098 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.2558 1345.8 19.7 scans 79% 60 m/z (69) 0.27% 0.300% 3281 0.2 265 171654 19502260 17979661 1-10 20: 60 73 57 41 129 115 55 87 98 39 45 61 42 74 101 70 84 97 158 96 0.933 22.70 -129.5 74 95 93 99 158 17.7 0.449 0.560 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8409 1363.4 8.6 scans 45% 57 m/z (125) 1.5% 0.0251% 3380 1.0 101 31181 1632477 1499252 3-2 17: 57 72 71 114 85 41 73 184 56 70 58 84 42 44 128 99 86 0.666 23.86 -0.6 82 92 82 91 184 12.1 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0888 1371.6 7.3 scans 65% 73 m/z 0.22% 0.113% 3422 1.0 246 215668 7376010 6953661 2-5 20: 73 341 429 342 325 147 343 430 431 326 74 327 207 344 82 432 45 191 311 148 0.828 24.17 -152.2 79 99 88 99 429 75.9 9.484 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6939 1391.8 9.0 scans 54% 43 m/z (159) 1.4% 0.0265% 3524 1.0 104 33466 1721443 1519249 2-8 20: 43 69 83 111 41 58 82 55 113 142 85 56 80 39 70 71 67 127 93 128 0.831 24.70 252.2 69 91 90 97 170 3.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1032 ?? Dodecane 24.8786 1398.0 14.4 scans 32% TIC 2.2% 0.0110% 3556 1.7 70 20947 719287 610204 1-6 0.649 20.36 -2.2 63 77 62 75 170 0.0 0.000 4.521 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1951 1408.5 7.4 scans 31% 43 m/z 0.71% 0.0125% 3609 0.9 82 66728 816590 757771 3-2 11: 43 103 145 116 86 127 137 146 74 104 144 0.826 25.24 -151.4 72 100 86 99 145 31.1 14.590 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4389 1416.7 16.5 scans 93% 84 m/z 0.0070% 5.72% 3651 0.3 1212 6694075 372105970 348510224 1-5 20: 84 133 161 42 119 92 118 130 65 134 78 117 51 91 120 63 55 105 52 41 0.989 25.89 259.7 78 97 95 98 162 330.4 7.427 -0.453 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7789 1428.0 7.5 scans 59% 93 m/z (85) 0.54% 0.0536% 3708 1.0 163 87506 3487348 3168976 2-1 20: 93 121 43 136 91 79 77 194 94 71 41 81 123 137 107 70 155 108 125 57 0.960 25.78 272.7 76 98 96 99 194 23.7 2.110 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0162 1436.0 8.7 scans 8.9% 145 m/z (109) 4.4% 0.00343% 3748 1.1 39 10563 223343 210953 1-5 4: 145 160 117 146 0.837 27.08 -186.8 67 92 63 91 160 18.3 21.543 -1.061 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0812 1471.5 >8 scans 54% TIC 1.5% 0.0113% 3929 0.8 102 31322 0.0174% 737966 737966 1130007 0-0 0.940 27.12 296.6 78 98 92 97 355 19.4 3.624 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1662 1474.4 8.8 scans 72% 57 m/z (149) 0.52% 0.0536% 3944 1.2 157 90263 0.101% 3482825 3371450 6559235 1-0 19: 57 71 85 43 41 99 56 55 70 42 84 98 112 127 163 126 69 39 155 0.972 27.21 -1.4 93 97 95 96 198 19.2 1.493 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1032 ?? Myosmine 27.9991 1505.5 14.9 scans 41% 118 m/z (105) 0.71% 0.0529% 4084 1.6 116 66831 3440233 3287778 1-2 7: 118 145 63 64 90 78 124 0.874 27.93 318.8 67 92 82 91 146 55.0 22.461 0.068 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6556 1530.2 8.1 scans 80% 43 m/z (163) 0.13% 0.238% 4196 1.1 329 358797 15481321 14234398 7-2 20: 43 69 41 151 136 107 67 125 93 109 121 83 53 81 39 68 108 79 91 77 0.974 28.67 332.8 77 99 98 99 194 21.0 0.406 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0924 1546.6 7.7 scans 76% 71 m/z (123) 0.16% 0.236% 4270 1.1 339 294348 0.334% 15382590 14322961 21690936 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 177 69 42 220 140 0.980 29.10 342.7 71 93 95 95 227 5.4 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0924 1546.6 7.7 scans 76% 71 m/z (179) 0.16% 0.237% 4270 1.1 340 296227 0.335% 15437518 14374105 21755879 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 177 69 42 220 140 0.988 29.09 342.9 67 89 93 90 220 27.6 0.658 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5133 1562.4 7.3 scans 59% 73 m/z 0.16% 0.174% 4341 1.1 305 280649 11362656 10544410 2-3 20: 73 281 147 327 282 415 341 503 283 221 399 328 504 148 416 74 329 325 342 383 0.953 29.61 -150.7 79 99 93 99 503 53.2 3.041 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6468 1567.4 10.8 scans 29% 158 m/z (177) 0.067% 0.368% 4364 0.9 363 704013 23927696 22761021 2-3 20: 158 157 130 116 63 89 156 131 90 104 143 42 142 80 52 118 62 102 76 75 0.884 29.68 354.8 75 99 87 98 158 210.3 33.633 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7589 1571.7 8.0 scans 65% 123 m/z 0.061% 0.189% 4383 1.0 307 766887 12318764 11336018 1-3 17: 123 135 124 107 95 91 79 109 77 93 125 39 81 105 53 193 165 0.945 29.77 357.7 78 98 92 98 193 26.0 0.716 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1668 1587.0 7.7 scans 57% 57 m/z 0.37% 0.0776% 4452 1.2 214 128240 0.120% 5045882 4722498 7793151 1-0 20: 57 71 85 43 99 41 55 84 113 70 127 56 69 155 98 83 183 86 141 112 0.888 30.38 -7.9 81 86 87 85 212 3.5 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2335 1589.5 >8 scans 44% TIC 0.64% 0.0187% 4463 0.9 160 73601 0.0634% 1220534 1220534 4117381 0-0 0.954 29.94 373.1 72 93 94 94 254 7.1 0.195 0.293 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4933 1599.8 8.0 scans 77% 191 m/z 0.046% 0.264% 4507 0.9 367 1018731 17174952 16099420 2-4 20: 191 206 192 57 163 74 175 91 115 41 107 73 207 77 88 128 161 105 193 117 0.948 30.50 375.0 80 99 93 99 206 101.7 7.689 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8711 1615.7 9.2 scans 44% 162 m/z (64) 0.74% 0.0438% 4572 1.1 134 63660 2849828 2717759 1-2 19: 162 147 161 133 91 134 163 77 115 165 95 145 51 79 81 131 119 132 103 0.775 30.88 -0.3 87 91 61 93 204 17.2 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9319 1618.2 >17 scans 4.1% 171 m/z (64) 7.8% 0.00218% 4581 1.1 28 6089 0.00232% 141978 131335 150668 3-0 2: 171 172 0.675 30.93 0.2 76 93 68 91 171 19.6 47.564 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1970 1629.4 9.4 scans 63% 111 m/z 0.087% 0.357% 4626 0.7 390 543664 23195511 21579009 2-1 20: 111 137 109 43 180 67 110 124 95 152 41 81 79 39 77 112 69 91 53 93 0.840 31.18 394.4 77 98 82 98 180 91.9 5.555 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1044 ? UNK 31.21min 31.1970 1629.4 9.4 scans 76% 111 m/z (85) 0.085% 0.463% 4626 0.7 428 558182 30130107 28030331 2-1 20: 111 137 109 43 180 67 110 124 95 152 41 81 79 39 77 112 69 91 53 93 0.961 31.20 394.0 75 97 95 97 180 94.0 4.831 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 9.5 scans 47% 43 m/z 0.47% 0.0497% 4679 1.2 155 100175 3228844 2975009 1-2 20: 43 98 85 111 166 183 55 127 41 99 82 69 68 83 67 126 39 59 81 56 0.712 31.52 -0.3 91 94 75 93 166 31.8 4.234 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7837 1654.0 8.8 scans 19% 193 m/z (113) 2.5% 0.00981% 4726 0.8 64 18694 637547 571036 3-1 5: 193 208 151 175 194 0.617 31.80 -0.5 67 73 44 80 208 11.6 3.327 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9154 1659.5 7.5 scans 63% 71 m/z (143) 0.77% 0.0591% 4748 0.7 168 61589 0.0675% 3840279 3840279 4383647 0-0 20: 71 57 85 43 83 69 55 82 99 41 70 84 113 127 111 56 155 141 153 58 0.941 31.92 -0.2 75 79 84 86 219 3.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0642 1665.8 6.7 scans 58% 221 m/z (123) 0.59% 0.0447% 4773 0.9 159 79478 2906149 2802166 1-2 20: 221 73 147 207 295 222 355 296 325 281 148 341 267 342 297 223 74 343 208 268 0.908 32.08 -0.6 94 96 82 99 355 25.7 2.598 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4296 1681.2 24.7 scans 50% TIC 0.62% 0.0470% 4835 0.8 144 75946 0.0714% 3058344 2963645 4636925 0-1 0.760 32.44 -0.5 79 82 68 80 226 5.6 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5648 1686.8 8.1 scans 48% 71 m/z (92) 0.83% 0.0405% 4858 1.2 135 57034 2633082 2379885 2-1 15: 71 57 85 43 113 99 127 169 84 155 86 254 72 141 100 0.872 24.54 549.5 69 96 88 96 169 20.1 2.205 8.023 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6639 1691.0 9.5 scans 53% TIC 2.3% 0.0319% 4875 0.9 143 19890 2071999 1924556 0-1 0.844 32.67 -0.5 93 95 80 94 220 11.4 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9266 1702.0 7.7 scans 64% 71 m/z 0.10% 0.106% 4919 0.9 234 440157 6918132 6350925 6-2 15: 71 43 159 111 243 56 72 155 173 143 160 89 98 73 244 0.931 32.93 -0.3 94 94 89 97 243 37.7 2.596 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0825 1708.6 7.7 scans 25% TIC 3.1% 0.00705% 4946 1.2 86 14976 458454 423364 1-1 0.603 33.09 -0.1 82 97 67 94 224 5.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3038 1717.9 7.4 scans 72% 57 m/z (129) 0.30% 0.102% 4983 0.8 225 154251 6649279 6351761 3-1 19: 57 71 85 43 41 55 99 56 70 69 113 226 98 84 42 83 112 168 141 0.970 33.37 -2.9 95 98 98 99 226 25.5 1.288 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8918 1728.2 7.6 scans 57% 71 m/z (233) 0.84% 0.0468% 5083 1.0 151 56297 3039410 2758356 2-1 19: 71 57 43 85 70 197 41 127 99 55 113 196 56 84 69 141 42 83 72 0.919 33.90 -0.1 88 94 92 98 197 28.8 3.664 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2696 1733.6 8.3 scans 37% 57 m/z (173) 1.5% 0.0190% 5147 1.0 94 30481 1236978 1155509 1-1 18: 57 71 85 43 211 98 99 105 41 113 182 127 58 183 210 139 141 166 0.857 34.27 0.0 87 95 89 95 211 17.7 3.515 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4178 1735.7 11.2 scans 96% 355 m/z 0.0093% 5.39% 5172 0.4 1413 5067098 350196117 336943999 2-1 20: 355 73 221 281 147 401 415 267 207 148 325 341 191 416 131 205 268 45 249 328 0.991 34.39 452.7 81 100 98 100 415 175.5 1.545 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8057 1741.3 14.8 scans 89% 91 m/z 0.032% 1.20% 5237 0.3 580 1470417 78325535 76058532 1-1 20: 91 155 199 90 65 184 92 89 120 44 63 137 106 39 77 51 156 200 134 78 0.985 34.79 452.3 80 100 98 100 199 165.2 8.115 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 7.8 scans 31% 68 m/z (71) 1.2% 0.0370% 5254 1.0 129 36989 2405614 2160528 2-3 2: 68 224 0.895 34.90 -0.0 89 93 92 97 224 16.8 1.712 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3487 1749.1 8.4 scans 78% 57 m/z (73) 0.26% 0.252% 5329 0.7 327 178095 16390945 14686740 3-1 20: 57 71 43 69 55 56 41 81 126 70 95 111 82 83 96 67 109 137 97 84 0.985 35.35 451.7 75 95 97 99 196 27.7 0.713 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6941 1754.0 8.5 scans 36% 193 m/z (57) 0.83% 0.0521% 5388 1.0 150 57207 3383657 3078965 4-1 16: 193 195 175 224 105 167 181 165 210 115 209 131 211 194 347 178 0.931 35.70 451.3 69 93 84 95 224 20.2 1.818 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9355 1757.5 9.8 scans 45% 91 m/z (72) 0.40% 0.107% 5428 1.3 199 116147 6948887 6601695 1-3 13: 91 155 184 65 148 199 92 44 105 89 124 93 63 0.861 35.94 451.1 66 92 71 90 238 7.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5070 1765.6 7.2 scans 11% 221 m/z 0.69% 0.0332% 5526 1.0 134 68537 2160176 1978726 2-4 17: 221 73 147 295 207 281 222 341 223 369 296 283 383 148 74 282 297 0.602 36.58 449.1 73 98 72 96 369 24.0 3.217 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1965 1775.5 8.1 scans 18% 209 m/z 0.80% 0.0208% 5643 0.9 103 59240 1353075 1305897 1-2 12: 209 224 181 210 167 152 166 103 165 193 117 194 0.791 37.20 449.2 73 96 71 95 224 36.9 12.829 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1016 Octadecane 37.2998 1777.0 9.0 scans 65% 71 m/z (91) 0.37% 0.145% 5660 1.2 235 127696 0.209% 9428281 8584081 13573071 0-4 20: 71 85 57 43 99 113 127 55 69 84 41 155 70 169 141 56 111 126 197 83 0.961 38.91 -23.0 80 85 93 85 254 4.0 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0584 1787.8 8.8 scans 57% 57 m/z 0.43% 0.0663% 5789 1.0 189 109410 4309414 3889350 1-2 20: 57 71 85 43 56 99 41 225 55 113 224 69 127 239 70 98 83 141 169 97 0.877 38.06 448.1 76 98 88 96 225 34.9 3.416 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5920 1795.5 9.7 scans 95% 73 m/z 0.012% 3.95% 5879 0.7 1272 3666512 256853927 242918326 2-3 20: 73 429 147 221 355 281 431 207 356 222 401 342 148 267 223 325 459 283 402 149 0.996 38.59 447.4 80 99 98 100 429 386.4 9.234 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1018 ? Neophytadiene 39.8807 1920.3 >13 scans 88% 208 m/z 0.017% 4.86% 6097 0.1 1430 2771443 316213310 316213310 0-0 5: 208 264 167 196 195 0.998 39.94 551.2 79 98 99 98 278 57.3 0.160 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1032 ?? Hexahydrofarnesyl acetone 40.0950 1946.9 4.0 scans 100% 58 m/z (278) 0.13% 0.635% 6134 0.4 542 340208 41302394 23386749 11-7 18: 58 59 280 210 185 225 60 253 239 268 281 156 143 45 212 186 101 254 0.977 39.88 578.6 65 87 88 91 250 31.2 0.332 0.212 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3890 1983.4 7.4 scans 48% 149 m/z (81) 0.11% 0.0851% 6183 0.9 208 427562 5532205 5241810 2-2 9: 149 150 223 104 76 167 205 132 50 0.926 40.31 608.5 74 97 91 98 223 45.0 4.699 0.084 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N406_R~1-N1110 Phytol 40.4344 1989.0 7.6 scans 67% 81 m/z (259) 0.37% 0.187% 6191 1.0 303 127817 0.208% 12173251 11369163 13508128 9-2 15: 81 82 95 68 123 69 67 79 109 83 96 124 97 278 110 0.965 40.66 -28.2 92 97 96 96 278 32.3 1.135 -0.228 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6039 2010.0 6.9 scans 32% 221 m/z (119) 1.2% 0.0217% 6220 0.9 108 37733 1415334 1336113 2-4 19: 221 73 147 295 207 281 296 223 341 370 148 401 297 369 208 355 186 283 371 0.879 40.63 629.9 71 97 90 97 369 18.9 3.058 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1254 Phytol 40.8801 2044.3 7.9 scans 84% 82 m/z 0.18% 0.357% 6266 1.0 427 260516 23187836 21057379 2-4 20: 82 81 95 68 123 57 43 79 69 71 83 67 55 96 41 97 109 124 278 85 0.969 40.87 1.6 100 100 97 99 278 56.7 1.761 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0537 2065.8 >10 scans 45% TIC 0.86% 0.0310% 6296 0.6 151 54651 2019524 1892745 1-0 0.912 41.00 680.0 75 98 91 97 262 16.9 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.1328 2075.6 9.4 scans 62% 109 m/z 0.48% 0.180% 6309 1.0 284 98526 0.197% 11725934 11283363 12793756 0-1 19: 109 81 262 191 95 43 123 177 121 107 229 55 79 137 41 71 67 91 135 0.844 41.13 687.8 77 97 81 96 262 61.2 4.637 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N406_R~1-N1010 ?? Phytol 41.52min 41.4416 2113.9 8.4 scans 17% 82 m/z (205) 0.43% 0.0607% 6362 1.0 165 109629 3947315 3656439 2-2 15: 82 95 67 123 96 81 278 39 80 279 94 108 104 199 244 0.734 41.52 720.0 67 97 69 93 278 32.8 3.946 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4557 2115.6 8.2 scans 54% 205 m/z 0.33% 0.186% 6364 0.8 303 140282 12114124 11128195 3-2 19: 205 57 217 175 189 220 177 55 232 91 261 191 203 109 77 192 206 79 135 0.731 41.49 -81.0 83 99 76 98 276 22.1 0.530 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6334 2127.4 8.9 scans 42% 43 m/z (93) 0.65% 0.0879% 6394 0.7 179 72637 5713214 5057527 2-1 18: 43 85 71 57 99 113 127 136 155 125 169 141 84 83 135 72 137 111 0.784 41.48 8.4 66 73 82 76 268 0.0 0.000 0.150 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6623 2129.1 10.6 scans 38% 93 m/z (99) 0.58% 0.0684% 6399 0.6 150 81208 4448504 4115276 2-2 14: 93 81 133 120 67 119 79 65 53 203 40 92 179 94 0.875 41.75 731.6 64 90 84 88 272 2.9 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0100 2148.6 7.9 scans 64% TIC 0.20% 0.105% 6458 1.1 253 233010 6821262 6401320 5-1 0.867 42.01 746.6 77 97 86 96 272 2.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.2102 2159.8 8.4 scans 26% 137 m/z 3.8% 0.0169% 6491 0.9 99 12243 1103008 981227 1-1 19: 137 95 91 79 123 135 107 119 67 109 163 187 257 77 105 189 136 92 162 0.537 42.05 9.2 67 77 48 73 272 7.0 0.000 0.165 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3259 2166.3 8.6 scans 86% TIC 0.10% 0.316% 6511 1.3 390 450019 20570819 19443137 1-5 0.967 42.37 757.3 75 92 95 98 503 65.7 2.839 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0018 2204.3 8.0 scans 78% 82 m/z (103) 0.10% 0.168% 6626 1.1 278 442767 10934766 10181773 2-3 16: 82 81 95 43 83 41 109 292 96 53 94 137 67 108 135 107 0.980 43.03 782.2 70 92 95 94 292 35.0 1.581 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2804 2219.9 8.2 scans 15% 159 m/z (171) 2.2% 0.00615% 6673 1.6 51 21283 399431 378074 2-1 10: 159 186 158 270 160 199 128 148 144 172 0.614 43.31 792.3 63 97 61 95 270 12.2 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN N419_R~1-N1158 ? Manool oxide 43.7869 2248.3 8.7 scans 48% 257 m/z (272) 2.1% 0.0395% 6758 1.0 127 21759 2566181 2336867 3-2 10: 257 81 177 137 122 191 163 258 107 192 0.909 43.83 810.7 74 98 84 97 275 37.0 8.456 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 44.1470 2268.8 8.6 scans 17% 134 m/z (71) 9.8% 0.00774% 6820 0.8 55 4836 503268 440773 5-3 15: 134 79 106 119 161 93 216 105 133 91 257 137 53 103 148 0.520 43.55 33.6 64 84 44 78 272 6.0 0.000 0.595 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1238 Trachylobane 44.1470 2268.8 8.6 scans 28% 134 m/z (267) 7.8% 0.0128% 6820 0.8 70 6062 834093 730518 5-3 15: 134 79 106 119 161 93 216 105 133 91 257 137 53 103 148 0.694 44.15 -0.5 90 98 70 95 272 9.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1236 ? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5490 2292.0 8.1 scans 8.4% 121 m/z (57) 18% 0.00192% 6888 1.2 28 2522 124677 101876 1-6 5: 121 135 109 77 122 0.467 44.55 -0.2 70 86 35 84 272 3.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1689 2327.6 9.6 scans 56% TIC 0.29% 0.319% 6993 0.9 367 161820 20727717 18736192 2-6 0.658 44.90 15.4 88 90 64 89 272 32.1 0.000 0.268 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7952 2363.7 9.6 scans 40% TIC 1.5% 0.0177% 7099 0.9 103 31312 1154049 1064135 3-1 0.753 45.78 1.1 93 94 83 93 503 10.3 1.011 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7587 2419.1 8.3 scans 23% 74 m/z (99) 3.3% 0.00692% 7262 1.0 55 14279 449824 406569 4-5 11: 74 87 143 88 75 267 255 298 101 199 213 0.826 46.76 924.0 67 93 70 90 298 12.0 4.730 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5007 2461.9 8.0 scans 24% 138 m/z (95) 4.5% 0.00599% 7388 1.1 51 10383 389231 332418 1-8 6: 138 306 120 139 121 92 0.728 47.50 949.1 69 97 73 94 168 7.4 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9151 2485.7 8.9 scans 22% 134 m/z (213) 8.4% 0.00480% 7458 1.1 44 5599 312211 273129 3-6 5: 134 119 178 92 272 0.592 47.95 -1.9 83 93 57 88 272 5.7 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9352 2544.4 7.8 scans 45% 147 m/z 2.5% 0.00978% 7631 0.9 70 18833 635164 555007 3-7 20: 147 221 355 429 281 282 430 296 431 207 357 74 295 369 223 133 401 327 75 339 0.753 48.95 994.0 71 98 76 97 429 21.2 9.224 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8455 2711.8 8.7 scans 39% TIC 2.5% 0.00748% 8124 1.1 66 18703 485806 433076 9-3 0.633 51.86 1080.9 74 97 63 94 503 11.6 3.083 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0812 770.5 10.4 scans 68% 77 m/z 0.12% 0.101% 33 2.9 178 301597 4973940 4683118 0-3 14: 77 45 78 79 62 76 63 59 75 61 92 50 37 54 0.839 4.37 16.5 100 100 98 100 77 153.1 74.169 -0.290 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5795 835.6 16.1 scans 56% 177 m/z 0.57% 0.0303% 456 3.7 91 66462 1483073 1420413 1-0 10: 177 161 192 103 210 193 179 165 117 105 0.546 6.53 -141.2 77 100 79 99 207 71.9 62.457 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6882 864.4 8.5 scans 95% 55 m/z 0.10% 0.651% 644 1.6 490 371118 31903013 29660112 1-4 20: 55 69 41 83 39 42 57 98 70 97 43 56 80 53 54 40 79 68 38 51 0.997 7.71 9.1 100 100 100 100 98 96.2 3.857 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKSTART-N1002 Contamination 12.22min 13.0365 1003.8 12.5 scans 32% 281 m/z (75) 0.62% 0.0439% 1550 2.6 105 60809 2151975 2014845 2-0 19: 281 282 43 108 283 69 72 111 191 265 193 71 284 55 133 134 252 93 68 0.607 12.22 57.5 83 96 63 99 281 68.8 43.219 0.817 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 13.0365 1003.8 12.5 scans 10% 281 m/z 2.1% 0.0127% 1550 2.6 59 17636 621705 582088 2-0 19: 281 282 43 108 283 69 72 111 191 265 193 71 284 55 133 134 252 93 68 0.204 12.25 -149.3 66 90 27 87 281 68.8 0.000 0.786 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.4332 1014.6 9.0 scans 84% 81 m/z 0.15% 0.154% 1617 1.7 235 249508 7562058 6599017 2-4 20: 81 110 53 39 41 79 67 68 77 65 51 82 95 109 66 50 40 54 52 91 0.975 13.22 51.0 90 96 95 99 110 68.2 8.450 0.211 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1022 ? Octanal 13.6529 1020.5 8.7 scans 47% 57 m/z (45) 2.8% 0.0304% 1654 1.2 101 13198 1489117 1262489 7-2 15: 57 56 84 41 55 43 44 109 42 69 108 82 85 100 71 0.860 12.96 -154.3 71 99 93 98 110 10.9 0.000 0.698 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.3707 1040.0 11.8 scans 35% TIC 1.9% 0.00540% 1776 1.7 55 19203 264492 226054 1-3 0.745 13.76 -159.5 75 98 80 97 134 21.5 15.114 0.614 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.5295 1044.3 8.1 scans 51% 68 m/z (54) 1.2% 0.0441% 1802 1.2 134 31262 2161958 1923433 2-2 18: 68 93 67 123 94 136 121 43 79 92 107 95 91 81 51 52 65 37 0.938 13.89 69.0 66 75 74 96 136 25.2 3.538 0.637 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6960 1048.8 10.6 scans 92% 79 m/z 0.087% 0.506% 1831 1.5 397 435187 24804713 23001131 2-3 20: 79 108 107 77 51 91 78 80 50 89 90 63 109 65 39 52 53 74 105 62 0.992 14.11 69.8 88 100 99 100 108 175.7 19.617 0.587 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 15.0159 1057.4 9.6 scans 88% TIC 0.093% 0.184% 1885 1.5 256 408655 9021746 8092843 4-4 0.979 14.44 72.6 87 100 98 100 120 83.8 10.737 0.574 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.5153 1071.0 7.5 scans 31% 70 m/z (109) 8.2% 0.00497% 1970 1.2 48 4610 243602 226890 1-1 13: 70 83 55 41 93 91 39 69 57 67 97 58 68 0.828 18.83 18.3 74 79 75 79 122 0.0 0.000 -3.315 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6759 1075.3 11.6 scans 87% 105 m/z 0.11% 0.206% 1997 1.2 271 339179 0.364% 10087297 9627445 17814382 2-0 20: 105 77 123 51 46 106 50 78 124 74 76 75 125 79 52 94 64 93 66 61 0.980 15.17 77.9 85 99 97 99 123 98.2 13.145 0.506 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN 98-86-2 Acetophenone 15.7597 1077.6 9.6 scans 76% 105 m/z 0.12% 0.163% 2011 1.1 261 313299 0.262% 8023884 7482695 12822440 0-2 20: 105 77 120 51 106 50 78 43 121 74 76 65 75 63 38 42 39 91 62 89 0.982 15.29 -168.1 80 99 98 99 120 93.2 12.753 0.467 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8937 1081.2 8.2 scans 30% TIC 0.56% 0.0168% 2034 1.2 113 67356 0.0248% 824815 790420 1213727 1-0 0.472 15.43 79.5 71 98 62 96 124 41.4 13.401 0.461 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.6264 1101.7 8.0 scans 48% TIC 1.3% 0.0102% 2158 0.9 88 27714 503640 469664 0-1 0.792 16.25 -172.9 78 100 79 99 132 46.4 27.944 0.372 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.9776 1116.5 8.2 scans 33% 57 m/z 5.0% 0.00457% 2218 0.9 48 7491 223717 197761 1-2 14: 57 71 43 56 41 93 70 55 98 99 83 84 121 156 0.614 16.59 16.5 77 90 67 87 156 6.9 0.000 0.391 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1388 1123.3 8.4 scans 88% 57 m/z 0.23% 0.252% 2245 1.2 322 163296 12367739 11168545 5-5 20: 57 41 56 55 43 98 70 44 69 82 68 95 81 96 67 39 42 71 54 83 0.978 16.82 -168.1 78 97 96 97 124 20.9 0.000 0.324 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.3306 1131.4 >6 scans 65% TIC 1.0% 0.0230% 2277 0.5 127 36471 1126863 1088567 1-0 0.913 16.97 106.7 74 93 91 99 128 28.2 4.926 0.363 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.4062 1134.6 10.0 scans 91% TIC 0.068% 0.307% 2290 1.0 330 555916 0.323% 15043761 13943380 15807817 0-3 0.977 17.05 108.6 80 99 97 100 122 110.5 11.191 0.354 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3312 1173.7 9.5 scans 60% 73 m/z 0.88% 0.0274% 2447 1.3 103 42904 1343035 1243877 2-2 19: 73 355 267 356 357 268 193 74 207 339 251 324 359 253 237 223 179 154 340 0.797 18.13 -158.0 78 98 77 97 355 45.6 19.621 0.200 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN M4942-N1002 ?? Pyranone 18.4345 1178.0 8.8 scans 36% 43 m/z (97) 5.1% 0.00660% 2465 1.3 52 7378 323114 304987 0-5 10: 43 101 72 145 73 45 115 107 122 146 0.755 20.04 -212.5 69 96 79 97 144 24.0 21.233 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.9699 1200.7 8.4 scans 33% 98 m/z 5.8% 0.00573% 2555 1.0 56 6545 280539 256400 2-1 17: 98 111 82 55 69 43 125 126 41 70 83 107 67 81 79 95 108 0.610 18.71 149.9 69 95 61 92 153 0.0 0.000 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3425 1216.4 9.4 scans 27% 82 m/z (105) 5.3% 0.00329% 2619 1.2 37 7158 161053 151100 1-0 5: 82 54 81 83 97 0.823 19.12 159.3 64 93 81 91 97 4.2 0.000 0.221 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.8791 1239.1 17.4 scans 50% 105 m/z 0.34% 0.118% 2709 0.3 168 110408 5806784 5013152 1-5 18: 105 122 77 51 50 123 76 106 37 78 66 74 94 52 132 38 49 75 0.956 20.03 168.4 76 96 92 96 122 86.4 26.546 -0.150 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1004 ? Dodecane 20.4918 1262.9 11.3 scans 12% 43 m/z (105) 12% 0.00296% 2813 0.9 28 2986 145214 119205 3-3 10: 43 70 85 98 42 55 83 127 53 99 0.396 20.32 5.2 78 89 38 84 170 4.8 0.000 0.172 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1034 ? Decanal 20.6902 1268.8 8.2 scans 83% TIC 0.58% 0.117% 2846 0.9 229 65082 5757424 5256804 3-2 0.939 20.57 -138.2 77 99 98 98 138 12.5 0.300 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.1010 1281.1 >10 scans 52% 94 m/z (96) 0.51% 0.0327% 2916 1.0 107 73981 1603399 1394013 7-1 12: 94 138 77 66 95 51 139 45 118 63 38 37 0.973 20.98 196.1 71 93 87 93 152 3.2 0.000 0.118 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9907 1337.9 8.7 scans 66% 43 m/z (57) 0.53% 0.0729% 3236 1.3 165 71652 3568748 3279170 3-2 18: 43 69 109 86 41 110 70 67 111 39 127 128 95 53 68 44 55 42 0.838 22.91 224.3 72 97 92 97 127 20.4 1.518 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.7020 1359.2 >20 scans 89% 60 m/z 0.095% 0.925% 3357 0.1 452 398241 0.985% 45279078 43521174 48206501 1-0 20: 60 73 57 41 55 115 43 129 98 69 87 61 39 45 56 74 42 101 83 70 0.975 25.35 210.0 77 95 94 99 162 0.0 0.000 -1.652 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.7020 1359.2 >20 scans 86% 60 m/z (84) 0.091% 0.954% 3357 0.1 444 417674 1.01% 46711737 44898212 49430016 1-0 20: 60 73 57 41 55 115 43 129 98 69 87 61 39 45 56 74 42 101 83 70 0.993 22.70 -116.1 74 94 94 98 158 27.2 0.376 1.006 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1006 Tridecane 23.9152 1365.8 8.9 scans 29% 57 m/z (126) 3.3% 0.0112% 3393 1.0 62 11378 550525 507657 2-5 9: 57 71 85 99 164 70 56 113 42 0.821 23.86 1.8 84 94 83 91 184 7.6 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1584 1373.9 7.2 scans 47% 73 m/z 0.49% 0.0422% 3434 0.9 147 76512 2066422 1929769 2-7 14: 73 341 429 342 147 325 343 430 431 82 74 68 327 96 0.652 24.17 -149.9 77 98 87 98 429 42.1 8.208 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7670 1394.2 8.9 scans 61% 43 m/z 0.88% 0.0371% 3537 1.0 127 43003 1818589 1661744 2-4 20: 43 83 41 55 82 56 58 85 113 111 39 93 71 70 100 67 142 127 57 128 0.819 24.70 254.6 72 96 87 97 170 4.3 0.115 0.071 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9364 1399.9 13.1 scans 25% 43 m/z (119) 5.9% 0.00760% 3566 1.8 47 6377 372336 322849 2-6 9: 43 71 57 85 99 155 42 41 56 0.766 20.36 -0.3 64 75 75 74 170 0.0 0.000 4.578 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2570 1410.6 7.5 scans 26% 43 m/z (71) 1.8% 0.00649% 3620 0.7 54 20657 317816 285288 2-1 9: 43 145 103 115 116 113 118 112 155 0.811 25.24 -149.3 71 98 88 98 145 20.9 15.121 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5468 1420.3 21.6 scans 91% 84 m/z 0.0073% 7.20% 3669 0.5 1166 5164464 352696257 329512865 0-5 20: 84 161 42 119 92 82 130 65 134 78 51 117 39 91 159 163 55 77 105 104 0.988 25.89 263.3 78 97 95 97 162 310.7 7.095 -0.345 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1080 ?? Solanone 25.8408 1430.1 9.4 scans 33% 43 m/z (85) 2.3% 0.0174% 3718 0.9 84 15895 854340 850042 0-1 20: 43 177 77 194 95 79 71 111 83 162 184 133 80 108 39 161 84 151 109 137 0.900 25.78 274.8 64 86 82 94 194 10.7 1.630 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1171 1472.7 6.7 scans 15% 221 m/z 5.4% 0.00279% 3936 1.1 39 6948 136522 131006 1-1 9: 221 73 281 222 355 223 267 282 283 0.606 27.12 297.8 68 91 54 89 355 9.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2015 1475.6 >9 scans 77% TIC 0.64% 0.0342% 3949 1.2 146 58898 0.0941% 1677873 1677873 4605311 0-0 0.969 27.21 -0.2 96 97 93 96 198 17.1 1.380 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0439 1507.2 9.9 scans 43% 118 m/z (124) 0.50% 0.0554% 4092 1.4 138 75293 2711426 2491673 2-5 18: 118 146 145 78 51 63 104 180 50 42 90 64 38 52 75 66 37 62 0.864 27.93 320.5 72 96 79 95 146 65.8 22.677 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6803 1531.1 7.9 scans 83% 43 m/z (140) 0.15% 0.207% 4200 1.1 299 241117 10153156 9228092 5-10 20: 43 69 41 151 107 136 125 67 93 83 53 121 68 81 39 108 79 55 91 77 0.991 28.67 333.7 78 99 99 99 194 18.4 0.379 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1095 1547.2 7.7 scans 74% 71 m/z (111) 0.23% 0.159% 4273 1.2 267 159262 0.198% 7811882 7326735 9690241 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 183 97 69 42 127 177 140 0.966 29.10 343.3 72 95 94 94 227 5.3 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5410 1563.5 7.3 scans 36% 73 m/z 0.46% 0.0530% 4345 1.1 164 82409 2596084 2482390 1-2 19: 73 281 147 327 415 341 329 503 221 399 207 74 342 417 149 45 505 401 383 0.900 29.61 -149.6 77 97 86 97 503 24.0 2.144 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6768 1568.6 9.0 scans 91% 158 m/z (60) 0.051% 0.956% 4369 0.7 611 746086 46825605 43811651 2-1 20: 158 157 130 43 159 178 91 77 135 79 105 117 116 89 63 156 121 131 149 90 0.994 29.68 356.1 78 99 99 100 192 50.0 0.669 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7765 1572.3 7.9 scans 63% 123 m/z 0.10% 0.117% 4386 1.0 237 377618 5732190 5556605 0-1 16: 123 135 124 107 91 95 79 109 93 77 81 53 193 67 125 65 0.893 29.77 358.3 79 99 88 98 193 20.8 0.772 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9507 1578.9 9.2 scans 70% 71 m/z (124) 0.28% 0.156% 4415 0.8 232 135467 0.205% 7640761 7086567 10032825 1-0 20: 71 85 57 43 99 113 127 155 84 69 70 41 55 56 126 83 169 112 86 197 0.976 29.94 362.5 74 96 95 99 254 6.1 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3338 1593.3 9.1 scans 34% 57 m/z (137) 1.3% 0.0245% 4480 1.2 103 28985 0.0386% 1199882 1199882 1889108 0-0 19: 57 71 43 85 41 212 55 56 98 112 99 213 42 86 72 113 58 151 197 0.881 30.38 -1.6 83 90 86 93 212 12.7 1.531 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5150 1600.7 8.2 scans 63% TIC 0.12% 0.0949% 4511 1.6 215 314409 4645976 4381310 1-2 0.883 30.50 375.9 78 98 83 97 206 62.4 8.386 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8940 1616.6 9.5 scans 64% 162 m/z (168) 0.73% 0.0673% 4575 1.4 153 51840 3296458 2984903 2-2 19: 162 147 161 105 148 91 119 106 134 77 163 81 115 65 78 131 144 79 145 0.892 30.88 0.6 91 94 79 96 204 18.1 1.397 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9371 1618.4 9.3 scans 4.4% 172 m/z (182) 7.5% 0.00241% 4582 1.9 29 5043 0.00261% 118118 109162 127735 2-0 3: 172 171 203 0.658 30.93 0.4 77 94 70 92 171 19.8 47.935 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2111 1629.9 9.4 scans 71% 111 m/z 0.12% 0.270% 4629 0.8 327 301633 13251819 12205725 2-2 20: 111 109 137 67 180 43 110 124 95 152 41 79 81 39 77 112 165 69 93 53 0.875 31.18 394.9 77 98 84 98 180 75.4 5.314 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5186 1642.9 10.0 scans 61% 43 m/z (112) 0.88% 0.0443% 4681 1.1 126 43293 2169673 2024701 1-1 18: 43 111 98 71 85 166 57 151 41 127 68 99 39 82 59 67 56 83 0.925 31.52 0.2 92 97 93 96 166 22.3 3.153 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 31.6320 1647.6 7.7 scans 49% 71 m/z (157) 1.5% 0.0303% 4700 1.2 113 23956 1486140 1363117 1-2 20: 71 57 43 113 85 99 111 41 55 84 127 69 56 70 169 237 155 83 327 223 0.937 24.54 510.3 67 90 91 95 169 15.4 1.851 7.090 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7978 1654.6 8.8 scans 15% 193 m/z (57) 2.7% 0.00747% 4728 1.0 52 13626 365841 327357 3-3 6: 193 139 194 151 110 197 0.524 31.80 0.1 62 76 31 82 208 11.0 4.525 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9324 1660.3 8.0 scans 54% 83 m/z (81) 1.8% 0.0333% 4751 0.7 119 20431 1632499 1431794 5-2 10: 83 55 70 211 82 86 210 155 87 126 0.869 31.92 0.6 78 88 88 92 219 5.3 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0753 1666.3 7.0 scans 16% 221 m/z 2.0% 0.00734% 4775 1.0 63 18430 359549 345529 1-3 13: 221 147 207 148 355 341 223 222 267 295 325 281 356 0.560 32.08 -0.1 91 96 58 93 355 12.5 3.927 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4413 1681.6 10.1 scans 52% 57 m/z (81) 1.0% 0.0420% 4837 1.1 123 35650 2059430 1860943 1-2 19: 57 85 71 43 56 196 41 55 99 197 42 113 127 97 70 86 108 83 84 0.926 32.44 -0.1 82 87 89 86 226 4.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6768 1691.5 8.6 scans 42% 205 m/z (133) 5.3% 0.0259% 4877 1.0 103 7103 1272404 1154390 2-5 11: 205 150 91 105 159 121 79 187 149 80 162 0.898 32.67 0.0 91 96 83 95 220 7.9 0.594 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8628 1699.4 7.7 scans 22% 70 m/z (219) 1.7% 0.0152% 4908 1.6 78 21670 0.0164% 745522 657371 802626 7-0 2: 70 96 0.661 32.87 -0.1 73 89 65 85 186 2.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9330 1702.3 7.8 scans 62% 71 m/z (177) 0.19% 0.0704% 4920 0.8 175 191619 3447582 3173802 4-1 11: 71 43 159 111 243 173 72 143 98 155 73 0.950 32.93 0.0 93 95 90 99 243 26.8 2.356 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3091 1718.1 7.6 scans 75% 57 m/z (105) 0.32% 0.105% 4984 0.8 219 115460 5184345 4918113 3-1 20: 57 71 43 85 41 55 99 56 70 69 113 84 98 42 86 140 83 155 112 141 0.945 33.37 -2.7 93 97 96 99 226 23.9 1.192 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8929 1728.2 7.4 scans 41% 71 m/z (233) 2.0% 0.0198% 5083 1.0 95 18789 969942 854446 8-0 18: 71 43 57 70 85 197 196 41 99 55 141 113 56 42 84 127 183 155 0.822 33.90 -0.1 89 99 91 97 197 19.0 4.040 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2701 1733.6 8.1 scans 32% 57 m/z (173) 2.0% 0.0173% 5147 0.9 87 18822 846863 784285 0-2 16: 57 85 71 98 43 210 141 41 69 58 70 113 105 127 196 114 0.865 34.27 0.0 85 93 82 94 211 15.7 3.278 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3994 1735.5 7.8 scans 93% 73 m/z 0.027% 1.26% 5169 0.9 766 1411050 61733280 58728867 2-2 20: 73 355 147 221 281 356 401 222 74 402 267 415 207 283 223 403 358 75 149 325 0.989 34.39 452.5 80 100 98 100 415 83.1 1.177 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7713 1740.8 11.5 scans 85% 91 m/z 0.055% 0.585% 5232 0.4 436 685933 28642949 27191202 2-2 20: 91 155 199 90 65 184 92 89 120 44 63 137 39 106 77 64 200 156 51 134 0.976 34.79 451.8 80 99 97 99 199 123.3 7.982 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8977 1742.6 8.3 scans 36% 68 m/z (71) 1.6% 0.0346% 5254 1.3 113 23209 1695271 1482709 2-2 3: 68 97 224 0.925 34.90 -0.1 91 95 95 97 224 15.7 1.926 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3481 1749.1 8.4 scans 71% TIC 0.31% 0.171% 5329 1.0 283 121750 8374557 7632170 6-1 0.843 35.35 451.7 76 99 87 98 196 26.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1212 ? Hexadecene 35.4992 1751.2 8.5 scans 49% 83 m/z (155) 1.0% 0.0797% 5355 1.1 174 36529 3901890 3459217 3-3 18: 83 69 55 97 70 56 41 82 68 84 111 112 98 96 125 42 168 67 0.937 33.09 42.5 76 84 89 90 224 2.0 0.000 2.414 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9349 1757.4 8.9 scans 50% 148 m/z (85) 1.4% 0.0704% 5429 0.9 169 25421 3446286 3224686 2-2 9: 148 93 105 131 133 159 157 149 120 0.892 35.94 451.0 61 89 76 89 238 6.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1186 ?? Cotinine 36.1946 1761.2 10.1 scans 9.4% 98 m/z (57) 3.0% 0.00721% 5473 1.2 48 12674 352927 320110 9-2 7: 98 176 115 118 175 177 51 0.570 36.19 -88.6 63 90 60 87 176 19.6 16.383 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5282 1765.9 7.1 scans 22% 221 m/z 0.85% 0.0317% 5529 1.1 129 44411 1553935 1467554 3-2 17: 221 73 147 295 207 222 281 296 369 223 341 208 282 74 297 370 328 0.595 36.58 449.4 74 98 82 97 369 19.3 2.224 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.2 scans 52% 209 m/z 0.27% 0.0796% 5643 0.9 191 138746 3896132 3706654 2-1 20: 209 224 181 210 165 167 178 105 166 179 103 194 225 119 104 152 191 182 77 193 0.876 37.20 449.2 78 98 85 98 224 63.0 10.889 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0565 1787.8 8.8 scans 56% 57 m/z 0.60% 0.0475% 5788 1.1 156 63345 2329021 2195926 2-1 20: 57 71 85 43 56 225 99 41 55 113 224 239 127 69 70 141 86 155 183 83 0.885 38.06 448.1 75 97 88 95 225 30.1 3.712 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5979 1795.5 8.9 scans 90% 73 m/z 0.042% 0.793% 5880 1.1 573 903870 38854513 35712665 2-3 20: 73 147 221 429 355 281 341 207 431 356 74 222 148 401 357 282 295 267 223 342 0.982 38.59 447.4 80 99 98 99 429 146.7 6.566 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8151 1798.6 14.0 scans 45% 71 m/z (239) 0.99% 0.0577% 5916 2.0 118 38197 2825917 2573458 2-1 19: 71 57 85 113 233 55 69 72 181 58 141 86 210 84 238 155 240 42 225 0.883 38.91 -1.4 81 91 82 88 254 7.4 0.397 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8033 1910.8 >7 scans 65% 113 m/z 0.033% 2.04% 6084 0.2 1026 1132912 99965209 92549200 2-0 6: 113 235 237 195 38 106 0.991 39.94 541.7 80 99 99 99 278 58.0 0.000 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4084 1985.8 7.9 scans 39% 149 m/z (81) 0.15% 0.0710% 6187 1.0 175 240531 3475965 3129875 3-2 13: 149 150 223 104 76 167 132 205 50 75 148 74 206 0.851 40.31 610.9 74 98 91 99 223 36.9 4.427 0.103 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N406_R~1-N1110 Phytol 40.4480 1990.7 7.3 scans 69% 81 m/z (121) 0.34% 0.214% 6193 1.1 315 109989 10488262 9245982 10-1 17: 81 82 95 68 123 69 55 67 43 83 79 109 96 97 124 53 111 0.984 40.66 -26.5 91 96 96 95 278 31.7 1.014 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5979 2009.3 6.9 scans 42% 221 m/z (238) 1.0% 0.0272% 6218 1.0 117 35469 1332936 1233907 2-3 17: 221 73 147 295 281 207 222 369 296 223 208 148 265 74 341 371 370 0.889 40.63 629.2 74 98 94 99 369 18.3 2.415 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1254 Phytol 40.8848 2044.8 8.5 scans 49% 81 m/z (224) 0.41% 0.141% 6267 1.3 238 90754 6936594 6483290 2-5 18: 81 95 82 123 79 67 96 278 109 124 53 137 94 80 77 93 279 138 0.892 40.87 2.1 85 89 70 88 278 37.6 2.489 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BQLD_R~1-N1056 ? Homosalate 41.0654 2067.2 11.8 scans 34% 138 m/z 0.97% 0.0412% 6298 1.0 121 39043 2017186 1793740 2-5 8: 138 120 109 69 121 139 65 93 0.738 41.00 681.4 76 99 73 97 262 16.3 0.000 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4674 2117.1 8.5 scans 81% 205 m/z 0.25% 0.321% 6366 0.8 377 151308 15742041 14720640 3-2 20: 205 217 57 175 189 177 55 232 41 91 220 261 203 191 77 192 161 115 135 109 0.929 41.49 -79.5 85 100 92 99 276 24.8 0.434 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.6097 2126.1 8.5 scans 17% 187 m/z (69 43) 2.3% 0.0168% 6390 1.6 80 16348 822859 761731 2-2 7: 187 272 159 160 145 273 116 0.736 41.76 728.4 64 92 55 91 272 27.4 11.840 -0.151 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6729 2129.7 >5 scans 50% 120 m/z 0.52% 0.0303% 6400 3.0 154 73180 0.0837% 1485938 1405150 4096329 0-2 16: 120 68 135 133 91 188 122 119 132 203 160 229 187 78 190 146 0.817 41.75 732.2 71 94 76 92 272 8.5 0.000 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0088 2148.5 7.7 scans 63% TIC 0.29% 0.0710% 6458 1.0 203 129012 3478046 3274243 2-1 0.853 42.01 746.5 77 97 84 96 272 2.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3405 2167.1 7.5 scans 59% 73 m/z 0.54% 0.0456% 6514 0.9 149 69718 2235622 2020193 3-3 20: 73 147 281 221 355 429 341 282 207 503 74 283 148 430 327 504 431 75 223 342 0.878 42.37 758.1 76 98 88 99 503 21.2 2.043 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0035 2204.4 8.2 scans 74% TIC 0.10% 0.147% 6626 0.9 264 356898 7208527 6482738 2-3 0.894 43.03 782.3 70 93 88 92 292 32.3 1.492 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8512 2251.9 9.3 scans 42% 57 m/z (163) 2.1% 0.0234% 6770 1.1 92 17987 1145975 1020381 4-3 20: 57 71 85 127 43 126 99 55 239 155 69 70 41 267 84 86 268 96 58 197 0.865 43.94 -4.8 62 78 80 76 282 4.6 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2875 2276.9 6.7 scans 30% 221 m/z (257) 3.3% 0.00777% 6843 1.0 65 11347 380550 372601 1-1 15: 221 73 207 147 295 222 281 275 265 296 355 297 282 283 148 0.658 44.32 829.6 66 98 75 97 369 11.0 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1234 ? Thunbergol 45.1670 2327.5 9.4 scans 6.0% 133 m/z (267) 4.7% 0.00673% 6992 1.2 48 8019 329388 293886 3-3 18: 133 107 177 124 272 150 244 189 202 105 137 136 232 173 258 188 134 204 0.083 44.90 15.3 71 90 13 83 272 7.0 0.000 0.266 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7828 2363.0 7.9 scans 22% 73 m/z 3.0% 0.00651% 7097 1.2 55 12298 318781 302103 3-4 14: 73 355 222 227 357 356 282 135 429 74 341 133 415 205 0.588 45.78 0.4 84 87 58 84 503 5.5 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0838 2380.3 8.7 scans 56% 105 m/z (170) 2.5% 0.0249% 7148 1.6 97 14836 1221484 1074682 2-3 17: 105 91 121 59 263 120 122 173 68 245 115 164 39 133 136 92 117 0.879 46.13 -2.9 88 96 87 94 292 7.7 0.000 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.1824 2386.0 9.6 scans 12% 85 m/z (191) 8.4% 0.00328% 7165 1.6 33 4487 0.00456% 160777 147465 223169 1-0 8: 85 57 113 71 99 72 141 154 0.726 46.28 -5.7 60 72 45 67 296 4.5 1.779 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4197 2399.6 9.6 scans 8.4% 177 m/z (123) 8.4% 0.00217% 7206 0.7 29 4523 106308 106308 0-0 4: 177 290 148 178 0.524 46.49 -4.4 70 78 30 74 290 7.4 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2592 2448.0 8.2 scans 7.2% 178 m/z (98) 20% 0.00100% 7347 1.2 20 1879 0.00106% 49175 49119 51877 0-1 2: 178 134 0.375 47.36 -5.5 65 78 29 72 272 2.1 0.000 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4994 2461.8 7.7 scans 21% 138 m/z 2.9% 0.00527% 7387 1.2 49 12874 258193 224825 1-7 8: 138 121 120 139 93 306 65 168 0.429 47.50 949.0 68 95 42 91 168 9.3 3.546 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9280 2544.0 7.9 scans 37% 73 m/z 3.1% 0.00584% 7629 1.1 52 11918 285941 260105 7-3 18: 73 429 221 355 147 222 207 356 325 430 341 148 295 265 267 223 191 401 0.633 48.95 993.6 74 97 60 94 429 15.2 8.608 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N38_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8390 2711.5 8.1 scans 46% 73 m/z 2.6% 0.00860% 8123 1.2 62 14231 421110 388397 4-3 19: 73 147 221 282 281 296 341 222 356 355 357 327 415 342 295 223 325 431 401 0.689 51.86 1080.6 71 94 66 91 503 8.5 1.896 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1068 771.2 5.2 scans 83% 77 m/z (93) 0.056% 0.0952% 37 4.0 294 797457 0.0973% 8178536 7646527 8352330 1-5 14: 77 45 78 79 62 76 59 75 63 47 61 46 92 64 0.993 4.37 17.2 99 100 100 100 77 249.1 71.917 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.1747 825.0 14.7 scans 69% 57 m/z (72) 0.58% 0.0328% 388 0.1 115 76925 2820600 2294881 1-15 14: 57 41 39 59 87 85 86 60 55 53 100 52 37 70 0.964 6.03 -136.6 76 96 97 100 102 10.8 0.884 0.142 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5136 833.8 16.7 scans 70% 207 m/z 0.45% 0.0299% 445 2.6 113 98546 2568544 2364438 1-2 20: 207 208 209 191 133 177 89 161 179 119 165 115 176 134 193 103 210 88 61 75 0.829 6.53 -143.0 80 100 83 99 207 87.6 59.821 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6251 862.8 8.8 scans 74% 41 m/z 1.5% 0.0292% 634 2.6 137 29784 2507191 2330383 1-3 20: 41 55 69 83 39 42 57 98 70 97 43 56 80 81 38 54 79 68 51 50 0.925 7.71 7.5 98 98 92 98 98 33.7 6.057 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.4145 987.5 >7 scans 24% TIC 2.0% 0.00331% 1445 999.0 66 21433 0.00592% 284653 272098 508179 0-3 0.547 12.22 41.2 90 96 81 99 281 40.8 37.921 0.194 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6554 993.7 10.4 scans 56% 81 m/z 0.91% 0.0174% 1486 2.1 98 49266 1498321 1364188 2-3 15: 81 110 53 79 41 39 68 67 66 65 82 51 95 50 63 0.813 13.22 30.1 92 94 80 96 110 29.8 9.209 -0.567 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9074 1000.3 8.4 scans 32% 41 m/z 5.7% 0.00473% 1528 1.7 62 7857 406218 365668 1-3 15: 41 84 82 43 55 108 69 68 39 85 58 67 83 110 81 0.607 12.96 -174.5 66 91 57 89 110 3.6 0.000 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1016 Limonene 13.8874 1026.9 8.2 scans 63% 68 m/z 1.3% 0.0190% 1694 1.3 122 34191 1634174 1452544 3-3 16: 68 93 67 79 94 121 92 107 91 53 80 77 39 136 41 81 0.858 13.89 51.6 90 99 85 98 136 24.7 4.114 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.2327 1036.2 >22 scans 94% 79 m/z 0.010% 4.38% 1753 0.2 1279 4288918 376448036 356044878 0-5 20: 79 108 107 77 51 91 78 50 89 90 65 63 39 53 52 105 74 76 64 73 1.000 14.11 57.2 91 100 99 100 108 563.5 19.414 0.124 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4777 1042.9 9.5 scans 87% 91 m/z 0.039% 0.284% 1794 1.2 428 1133778 24456046 21635582 2-7 20: 91 92 120 65 63 39 89 51 62 50 90 121 93 64 66 38 74 52 41 75 0.989 14.44 58.1 91 100 98 100 120 137.5 10.306 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1743 1061.7 10.1 scans 87% 105 m/z 0.095% 0.187% 1912 1.6 331 471646 0.216% 16070661 15000295 18541657 2-0 20: 105 77 123 51 46 106 50 94 78 74 124 109 76 66 75 52 39 79 64 38 0.983 15.17 64.3 87 97 95 98 123 114.4 11.907 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN 98-86-2 ? Acetophenone 15.2617 1064.1 >11 scans 61% 105 m/z 0.32% 0.0411% 1927 1.8 170 140347 3531955 3317847 0-2 15: 105 120 77 51 43 50 74 106 76 78 63 89 52 65 39 0.949 15.29 -181.6 79 99 95 99 120 52.7 9.625 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4252 1068.5 8.9 scans 72% 95 m/z 0.31% 0.0542% 1954 1.3 204 142328 4653109 4402523 1-1 19: 95 81 43 124 79 53 109 39 41 65 82 91 66 67 51 80 125 52 63 0.900 15.43 66.8 87 99 95 100 124 59.0 8.372 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2127 1089.9 8.8 scans 10% 117 m/z (70) 17% 0.000767% 2088 0.9 23 2543 65873 59318 1-1 8: 117 132 81 133 89 115 116 65 0.581 16.25 -184.7 61 93 65 91 132 14.1 36.985 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1002 Undecane 16.6029 1100.7 9.9 scans 59% TIC 1.3% 0.0141% 2154 1.2 108 32981 1216443 1093400 2-1 0.859 16.59 0.7 94 97 89 96 156 13.4 1.543 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1016 Nonanal 16.7723 1107.8 8.6 scans 85% TIC 0.34% 0.105% 2183 1.0 280 131229 0.113% 9058550 8013906 9700034 0-5 0.975 16.82 85.4 80 96 96 96 124 4.7 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9518 1115.4 8.9 scans 40% 71 m/z (81) 1.5% 0.0124% 2213 1.6 91 29634 1068688 1004542 1-6 10: 71 95 110 58 128 70 72 57 113 138 0.815 16.97 90.7 73 95 88 96 128 21.6 5.606 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1008 ? Maltol 16.9565 1115.6 >7 scans 59% TIC 1.4% 0.00870% 2214 0.5 111 31870 746952 709349 1-0 0.910 16.96 91.0 78 97 87 97 156 5.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0445 1119.3 9.4 scans 89% 91 m/z 0.039% 0.386% 2229 1.3 493 1150954 33204066 30115212 2-4 19: 91 92 122 65 93 77 51 39 63 78 89 103 104 123 121 50 62 52 90 0.981 17.05 93.3 80 97 95 98 122 150.0 9.249 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0728 1162.8 8.5 scans 31% 355 m/z 0.71% 0.0264% 2403 1.6 137 62875 2268548 2140116 1-3 16: 355 267 356 268 357 269 251 170 193 358 155 323 179 339 154 249 0.655 18.13 -168.9 78 99 56 98 355 69.9 26.196 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN M4942-N1002 ? Pyranone 18.1525 1166.1 10.0 scans 72% 43 m/z 0.15% 0.163% 2417 0.6 329 288203 14028473 13001168 3-2 14: 43 144 101 44 72 55 45 115 42 145 58 53 39 56 0.884 20.04 -224.4 78 98 87 98 144 137.6 17.490 -1.889 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2198 1169.0 12.3 scans 1.7% 281 m/z 11% 0.000312% 2428 0.8 19 4035 0.000653% 26774 26774 56054 0-0 2: 281 193 0.540 12.25 15.9 63 81 41 78 281 17.7 90.304 5.969 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.4128 1177.1 19.6 scans 65% 69 m/z (39) 0.73% 0.0804% 2461 0.2 173 61013 6906418 6408034 1-3 20: 69 60 85 73 41 55 101 97 87 88 57 115 45 108 98 56 42 82 70 68 0.915 19.87 108.8 66 90 72 91 144 3.2 0.000 -1.458 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 18.4128 1177.1 19.6 scans 71% 69 m/z 0.81% 0.0765% 2461 0.2 181 55076 6566927 6093041 1-3 20: 69 60 85 73 41 55 101 97 87 88 57 115 45 108 98 56 42 82 70 68 0.905 22.03 -132.0 77 97 93 98 175 0.0 0.000 -3.621 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8273 1194.6 8.8 scans 43% 70 m/z 2.4% 0.0138% 2531 1.1 104 18231 1187289 1057331 2-3 14: 70 83 55 41 69 57 84 96 67 97 71 111 72 68 0.743 18.83 141.9 71 97 76 96 122 4.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.9005 1197.7 9.8 scans 43% 105 m/z (134) 1.5% 0.0195% 2543 1.0 100 29117 1675282 1476118 3-3 17: 105 122 108 77 91 90 150 51 50 76 123 65 49 106 63 75 38 0.728 20.03 127.0 64 83 78 95 122 43.2 18.766 -1.129 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1207 1207.0 >8 scans 29% TIC 3.0% 0.00108% 2581 1.2 54 14687 93363 83292 1-0 0.775 19.12 149.9 67 92 77 91 97 10.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7564 1233.9 12.2 scans 54% 119 m/z (103) 0.32% 0.0620% 2689 1.3 178 136660 5328736 4979688 3-2 11: 119 91 134 65 97 92 51 135 50 64 120 0.914 13.76 34.4 74 81 70 84 134 58.3 10.772 5.999 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8090 1236.1 9.8 scans 84% 57 m/z 0.085% 0.284% 2697 1.5 414 527465 24384412 22716858 4-3 20: 57 45 41 75 87 56 89 72 101 59 100 33 43 85 60 73 44 71 55 58 0.972 19.81 168.6 78 97 93 99 144 8.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3102 1257.3 8.9 scans 37% 57 m/z (97) 3.2% 0.00654% 2782 1.2 64 13817 562212 488176 4-2 10: 57 71 43 85 112 70 113 72 99 98 0.923 20.32 -0.4 90 95 87 93 170 9.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1034 ? Decanal 20.5197 1263.7 8.5 scans 78% TIC 0.56% 0.0855% 2818 0.7 241 79768 7346596 6564648 3-2 0.924 20.57 -143.3 78 99 93 98 138 12.9 0.000 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9365 1276.2 11.2 scans 67% 94 m/z (91) 0.32% 0.0516% 2888 1.7 164 136658 4433587 4128872 3-2 7: 94 138 95 66 144 139 76 0.944 20.98 191.2 77 98 95 100 152 3.2 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4513 1291.7 7.4 scans 8.4% 281 m/z 11% 0.00110% 2976 1.1 32 3927 94886 80345 6-1 6: 281 73 282 369 265 148 0.770 21.56 -147.0 70 96 66 93 369 8.5 7.204 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 22.5009 1323.2 7.1 scans 29% 43 m/z 3.9% 0.00286% 3153 1.2 62 11405 245794 240525 0-1 20: 43 57 85 71 55 70 84 56 41 125 86 83 141 98 99 111 97 69 88 39 0.741 33.32 56.2 65 83 75 81 226 0.0 0.000 -10.818 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 22.8763 1334.4 19.9 scans 66% 73 m/z 0.31% 0.148% 3217 0.2 246 141269 12758012 9904823 1-10 20: 73 60 57 55 129 41 115 43 98 69 61 87 39 45 56 42 83 74 96 101 0.918 22.70 -140.9 72 93 85 95 158 14.7 0.000 0.180 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1016 ? Nicotine 22.8763 1334.4 19.9 scans 71% 73 m/z (71) 0.31% 0.193% 3217 0.2 255 141989 16614369 12898749 1-10 20: 73 60 57 55 129 41 115 43 98 69 61 87 39 45 56 42 83 74 96 101 0.952 25.35 185.2 73 94 90 98 162 0.0 0.000 -2.478 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9005 1335.1 8.3 scans 23% 109 m/z (73 71) 1.9% 0.0114% 3221 0.9 87 22539 983572 835925 5-7 3: 109 86 110 0.858 22.91 221.5 63 89 77 94 127 11.2 1.670 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.8350 1363.2 8.2 scans 32% 57 m/z (79) 2.7% 0.00805% 3379 1.2 67 16209 691653 555124 3-5 11: 57 71 85 98 56 45 184 84 140 120 119 0.751 23.86 -0.8 75 88 76 86 184 8.5 1.577 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0942 1371.8 7.6 scans 62% 73 m/z 0.20% 0.0731% 3423 1.1 245 223321 6282540 5782466 2-5 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 295 75 45 432 251 311 0.877 24.17 -152.0 79 99 89 99 429 68.7 7.853 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5411 1386.7 7.4 scans 37% TIC 2.8% 0.00302% 3499 1.2 72 15664 259347 237132 1-1 0.798 24.54 249.4 73 96 77 93 169 8.3 1.333 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6774 1391.2 8.2 scans 62% 43 m/z 0.76% 0.0244% 3522 1.0 144 58740 2099235 1796016 2-10 20: 43 83 55 41 142 82 58 85 56 69 113 111 71 39 67 70 93 57 128 127 0.873 24.70 251.6 70 92 82 97 170 5.4 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1975 1408.6 7.5 scans 46% 43 m/z 0.83% 0.00825% 3610 1.0 84 54010 708292 625118 8-4 7: 43 145 103 116 115 86 122 0.906 25.24 -151.3 78 100 92 99 145 29.9 12.637 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4673 1417.6 9.6 scans 75% 84 m/z (105) 0.18% 0.0960% 3656 2.1 230 247096 8245497 7508947 3-3 19: 84 133 162 161 42 119 92 82 118 130 85 65 134 83 51 89 52 63 39 0.928 25.89 260.6 71 93 87 93 162 57.1 6.187 -0.425 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0122 1435.8 7.9 scans 12% 145 m/z (58) 6.0% 0.00218% 3748 1.2 41 7387 187880 171586 3-4 10: 145 115 167 117 131 63 146 76 128 116 0.727 27.08 -187.0 67 93 72 92 160 17.4 18.151 -1.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0877 1471.7 6.5 scans 48% 221 m/z (133) 1.9% 0.00812% 3930 1.0 88 23666 697080 656008 2-2 18: 221 73 147 281 222 148 267 355 223 268 443 283 269 149 357 205 207 444 0.905 27.12 296.8 74 96 87 96 355 15.5 3.126 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1674 1474.4 7.4 scans 81% 57 m/z (153) 0.32% 0.0596% 3944 1.0 220 139003 0.0736% 5118009 4816364 6317898 2-0 20: 57 71 43 85 41 55 56 70 99 84 98 42 198 69 113 112 141 127 86 83 0.984 27.21 -1.4 96 98 97 98 198 24.3 1.223 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N407_R~1-N1114 ?? Caryophyllene 27.8310 1499.2 9.1 scans 28% 71 m/z 3.3% 0.0103% 4056 1.2 92 13612 890190 853721 1-1 18: 71 43 57 41 93 79 133 70 91 55 69 105 161 168 150 99 67 81 0.428 27.84 313.8 62 92 41 87 204 6.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3753 1519.6 8.7 scans 28% 80 m/z (118) 2.1% 0.00504% 4148 1.1 58 20708 433187 380986 5-4 7: 80 171 172 170 104 163 103 0.749 28.39 326.2 67 96 76 94 171 27.3 22.161 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6551 1530.2 7.7 scans 88% 43 m/z (56) 0.096% 0.212% 4196 1.1 400 468126 18206072 16599201 4-8 18: 43 69 41 151 107 136 67 125 93 109 53 39 121 81 68 108 79 91 0.990 28.67 332.8 78 99 99 100 194 22.9 0.328 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0860 1546.4 7.6 scans 83% 71 m/z (179) 0.20% 0.139% 4269 1.0 337 215971 11952662 11494983 1-1 20: 71 57 43 85 41 70 55 56 113 141 99 112 84 69 97 183 42 220 67 72 0.963 29.09 342.7 69 91 90 94 220 28.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0860 1546.4 7.6 scans 74% 71 m/z 0.20% 0.114% 4269 1.0 317 215432 9817138 9441230 1-1 20: 71 57 43 85 41 70 55 56 113 141 99 112 84 69 97 183 42 220 67 72 0.875 29.10 342.5 68 92 91 91 227 5.3 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5116 1562.4 7.8 scans 73% TIC 0.16% 0.112% 4341 1.4 305 276855 9690157 8692671 2-2 0.905 29.61 -150.7 79 99 95 99 503 43.4 2.027 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6480 1567.5 8.1 scans 66% TIC 0.11% 0.117% 4364 1.1 326 393840 10046962 9669487 1-1 0.801 29.68 355.0 67 90 58 87 192 38.4 1.389 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7460 1571.2 8.0 scans 62% 123 m/z (151) 0.21% 0.0469% 4380 1.0 189 209155 4031511 3691086 1-4 8: 123 135 124 107 95 109 125 165 0.967 29.77 357.2 77 99 98 99 193 14.4 0.578 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9331 1578.2 9.1 scans 55% 71 m/z (167) 0.61% 0.0488% 4412 0.9 171 72595 4197577 3802640 1-2 15: 71 85 57 43 99 155 113 127 69 84 70 86 169 58 114 0.941 29.94 361.8 73 99 96 99 254 3.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3169 1592.6 7.9 scans 48% 57 m/z (204) 1.0% 0.0200% 4478 1.2 125 42007 1724159 1624960 1-1 18: 57 71 43 85 41 84 56 55 99 70 42 98 212 169 113 112 126 58 0.934 30.38 -2.3 88 95 93 94 212 13.3 1.137 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4798 1599.2 7.9 scans 83% 191 m/z 0.055% 0.173% 4505 0.9 380 807604 14916561 13841374 2-3 20: 191 206 57 192 74 163 41 175 91 115 107 73 77 207 88 147 128 161 133 105 0.962 30.50 374.4 81 100 96 100 206 99.0 6.787 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1098 Olivetol 30.8074 1613.0 8.2 scans 61% 124 m/z 0.25% 0.0741% 4560 1.1 241 176787 6364058 5956589 2-5 15: 124 137 55 180 125 81 54 138 82 109 96 123 110 165 181 0.902 30.81 383.6 80 100 90 100 180 62.2 6.658 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8564 1615.0 10.7 scans 38% 161 m/z (124) 0.63% 0.0379% 4568 1.0 150 70345 3256733 3079904 1-0 18: 161 103 163 104 148 117 78 89 115 145 149 146 131 164 87 133 61 130 0.711 30.88 -1.0 78 82 48 81 204 4.9 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1782 1628.6 9.2 scans 70% 111 m/z 0.25% 0.0924% 4623 0.8 261 175011 7936757 7521914 3-1 20: 111 137 109 43 180 67 110 95 124 152 41 79 39 69 81 112 77 138 51 53 0.917 31.18 393.6 79 100 94 100 180 55.1 4.464 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5099 1642.5 9.0 scans 76% 43 m/z (185) 0.25% 0.0866% 4679 1.1 244 175784 7437660 7063893 1-2 20: 43 98 111 127 166 55 82 41 83 151 68 85 67 81 107 123 69 39 59 58 0.944 31.52 -0.2 93 95 97 95 166 47.3 3.756 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6280 1647.5 8.6 scans 36% 57 m/z (157) 2.5% 0.0146% 4699 1.3 99 17892 1258270 1117889 1-3 18: 57 71 85 43 99 113 55 183 41 69 125 70 83 42 402 98 169 111 0.779 31.63 -0.2 69 87 73 83 429 8.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9249 1659.9 8.4 scans 41% 83 m/z (115) 1.1% 0.0185% 4749 0.9 112 39991 0.0235% 1588824 1513968 2017264 3-0 5: 83 155 211 210 198 0.883 31.92 0.2 62 68 69 71 219 3.0 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1102 UNK 31.99min 31.9922 1662.8 8.6 scans 70% 127 m/z 0.10% 0.137% 4761 1.0 322 434041 11820104 10610788 7-7 18: 127 75 85 74 129 128 97 59 98 43 84 126 45 55 41 101 42 81 0.863 31.99 415.6 80 100 87 99 129 76.3 5.599 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0843 1666.6 6.5 scans 62% 221 m/z 0.42% 0.0356% 4776 1.0 188 105359 3057564 2888279 1-2 20: 221 73 147 207 222 295 341 223 355 281 296 148 325 208 267 356 297 342 74 357 0.909 32.08 0.2 97 98 88 98 355 30.3 2.604 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2336 1672.9 8.8 scans 44% 57 m/z (157) 1.0% 0.0295% 4801 1.0 128 42127 2535983 1829243 5-2 16: 57 71 43 85 56 41 70 55 99 183 211 149 113 105 182 42 0.894 32.24 -0.2 86 96 87 92 226 4.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4350 1681.4 7.7 scans 71% 57 m/z (119) 0.50% 0.0453% 4836 1.1 188 89034 3888607 3588297 1-2 19: 57 71 85 43 56 41 197 55 99 196 113 69 70 127 42 198 97 111 86 0.972 32.44 -0.3 85 89 90 88 226 6.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6617 1690.9 8.4 scans 72% 205 m/z (111) 1.8% 0.0543% 4874 1.3 196 24678 4664033 4366924 1-6 18: 205 91 119 43 105 93 159 79 107 77 131 106 67 147 146 133 145 121 0.947 32.67 -0.6 93 95 90 98 220 11.6 0.348 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8689 1699.6 >9 scans 43% TIC 0.69% 0.0223% 4909 0.8 143 65159 0.0492% 1915037 1776222 4223377 2-0 0.768 32.87 0.1 70 78 66 76 186 0.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9273 1702.1 7.9 scans 52% 71 m/z 0.18% 0.0421% 4919 0.8 180 246880 3620654 3170359 4-4 12: 71 43 159 111 243 72 155 173 143 89 73 138 0.908 32.93 -0.2 98 99 92 98 243 27.0 2.248 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0837 1708.6 7.4 scans 50% 83 m/z (216) 2.9% 0.0159% 4946 1.1 118 15356 1368132 1360338 0-1 18: 83 97 55 69 43 57 111 70 41 56 84 82 68 85 112 98 125 54 0.902 33.09 -0.1 91 93 96 99 224 5.1 0.189 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 7.6 scans 74% 57 m/z (109) 0.40% 0.0566% 4984 0.7 205 112217 0.0625% 4865433 4497231 5365063 0-7 20: 57 71 43 85 41 55 56 99 70 226 42 113 69 84 98 112 141 83 72 58 0.978 33.37 -2.8 91 95 96 95 226 21.3 1.076 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1104 ? UNK 33.53min 33.5300 1723.0 8.8 scans 70% 75 m/z 0.24% 0.116% 5022 1.1 292 181261 9997438 9069125 3-3 18: 75 127 85 74 97 159 43 126 84 166 98 59 101 55 45 41 129 42 0.850 33.53 452.8 79 100 86 99 166 43.6 2.222 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8771 1728.0 >12 scans 29% 70 m/z (167) 4.3% 0.00897% 5080 1.4 71 10368 0.0188% 770244 705044 1613811 0-1 9: 70 169 168 42 182 81 72 170 56 0.851 33.90 -0.3 83 95 89 93 197 11.4 2.578 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2673 1733.6 8.0 scans 51% 57 m/z (173) 1.0% 0.0200% 5146 1.1 124 43254 1723940 1602909 1-1 17: 57 71 43 85 41 98 107 70 56 141 182 183 113 127 211 58 212 0.915 34.27 -0.0 88 93 92 96 211 20.8 2.842 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4049 1735.6 7.6 scans 92% TIC 0.044% 0.441% 5170 1.0 616 1020317 37934303 35687520 2-2 0.983 34.39 452.6 80 99 97 99 415 66.3 1.161 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7550 1740.6 11.5 scans 87% 91 m/z 0.037% 0.582% 5229 0.4 576 1210340 50038811 46797416 2-3 20: 91 155 90 199 65 184 92 44 89 120 137 63 106 39 77 64 156 51 200 134 0.979 34.79 451.6 80 100 98 100 199 154.0 7.143 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8966 1742.6 8.6 scans 55% 69 m/z (71) 0.83% 0.0455% 5253 1.6 172 54051 3913140 3597231 3-2 16: 69 68 83 55 97 41 70 111 67 56 84 139 125 98 112 96 0.953 34.90 -0.1 92 95 91 98 224 18.5 1.157 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3418 1749.0 8.3 scans 62% 57 m/z (183) 0.92% 0.0571% 5329 0.9 199 48763 4902128 4363711 5-1 20: 57 43 71 69 55 56 85 70 95 41 126 111 82 67 96 137 97 112 84 42 0.975 35.35 451.6 76 97 98 99 196 18.4 0.849 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6765 1753.7 9.6 scans 18% 123 m/z (224) 2.7% 0.00651% 5385 1.7 64 16597 559170 516433 3-3 11: 123 117 137 194 124 131 149 103 179 181 196 0.681 35.70 451.0 65 92 58 90 224 11.3 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.8949 1756.9 >12 scans 32% 132 m/z (123) 0.90% 0.0298% 5422 1.3 107 49489 2560005 1598375 12-1 6: 132 157 186 72 197 201 0.476 35.94 450.5 62 92 37 88 238 4.1 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5454 1766.2 7.6 scans 70% TIC 0.26% 0.0751% 5532 1.0 270 172673 6447661 5799440 1-7 0.970 36.58 449.7 79 99 97 99 369 37.5 1.927 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1877 1775.4 8.3 scans 16% 209 m/z 2.4% 0.00432% 5641 1.2 60 18727 371403 338445 2-1 12: 209 224 167 165 178 166 115 225 168 89 182 179 0.684 37.20 449.1 72 94 59 92 224 23.5 15.399 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3111 1777.1 10.3 scans 51% 71 m/z (137) 1.7% 0.0239% 5661 1.2 117 25473 2055226 1912123 1-1 17: 71 69 55 97 113 41 224 155 70 210 211 83 56 58 68 126 225 0.921 38.91 -22.9 78 83 90 82 254 0.0 0.000 -1.599 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0590 1787.8 7.9 scans 60% 57 m/z 0.73% 0.0236% 5788 1.1 149 61612 2032586 1871488 1-1 20: 57 71 85 43 56 41 55 225 99 224 113 69 127 70 98 239 141 83 84 97 0.890 38.06 448.1 74 96 86 94 225 27.2 3.311 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.6086 1795.7 8.7 scans 92% 73 m/z 0.041% 0.527% 5882 1.0 616 1091843 45246104 42749981 2-3 20: 73 147 429 221 355 281 430 341 207 431 356 222 74 401 148 282 267 342 223 295 0.984 38.59 447.6 80 100 98 99 429 163.4 7.038 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1108 ? Solavetivone 38.8454 1799.1 8.6 scans 59% 108 m/z 1.0% 0.0775% 5922 1.0 243 41199 6657730 6038970 3-2 19: 108 79 91 133 93 67 161 147 107 109 105 68 77 120 190 119 121 175 137 0.795 38.84 447.1 79 100 81 99 272 12.6 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1411 1828.7 8.4 scans 94% 159 m/z 0.030% 1.51% 5972 0.7 1074 1496338 130385245 120289101 3-2 20: 159 161 105 119 120 91 69 81 41 132 93 55 160 146 145 107 121 162 131 79 0.996 39.14 472.0 81 100 100 100 272 116.1 1.170 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4605 1868.2 8.4 scans 37% 74 m/z (148) 1.7% 0.0220% 6026 1.0 125 26239 1892921 1676438 3-4 11: 74 87 75 73 213 185 59 102 229 60 101 0.883 39.45 506.7 64 92 82 94 256 12.3 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8070 1911.2 11.0 scans 94% 68 m/z 0.036% 1.87% 6085 0.7 1064 1225521 161210219 151527616 2-2 20: 68 95 82 123 69 57 55 81 83 43 67 97 41 71 96 109 124 111 79 56 0.998 39.94 542.1 80 99 99 99 278 52.0 0.239 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1094 Geranyl-a-terpinene 40.2438 1965.4 10.4 scans 92% 159 m/z 0.015% 3.32% 6159 0.4 1447 2857293 285153855 276228432 2-1 20: 159 119 105 69 93 81 41 132 160 145 55 133 131 107 146 121 77 187 95 106 0.973 40.24 591.5 81 100 97 100 272 155.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3123 1973.9 8.4 scans 43% 149 m/z (202) 0.21% 0.0308% 6170 1.1 151 210658 0.0437% 2647939 2537239 3751252 0-1 10: 149 150 223 76 104 167 205 224 206 75 0.874 40.31 599.0 70 94 74 95 223 32.7 4.721 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1110 Phytol 40.6618 2017.2 >20 scans 90% 81 m/z 0.011% 10.8% 6230 0.1 1944 3866268 928626384 843951817 1-10 20: 81 95 68 82 79 43 55 41 67 69 57 83 109 124 96 71 278 53 56 70 0.997 40.66 -0.0 100 99 100 99 278 272.8 1.970 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1254 Phytol 41.0343 2063.4 17.4 scans 73% TIC 0.013% 5.85% 6293 0.3 1539 3383661 502540193 486153251 0-2 0.761 40.87 20.7 96 98 76 97 278 275.6 0.000 0.167 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3543 2103.0 9.6 scans 57% 79 m/z (159) 0.54% 0.115% 6347 1.2 262 82620 9916543 8727385 2-2 19: 79 67 95 69 93 109 80 41 81 55 108 121 94 82 77 107 68 59 87 0.890 41.26 12.0 86 92 89 92 264 15.5 0.347 0.096 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1010 Phytol 41.52min 41.5231 2121.3 10.6 scans 74% TIC 0.033% 0.829% 6375 1.1 783 1356343 71223590 65909070 3-0 0.977 41.52 727.4 80 100 99 100 278 119.3 2.322 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLANKB1-N1012 ? Contamination 41.49min 41.5449 2122.5 11.1 scans 28% 205 m/z (82) 0.16% 0.301% 6379 0.6 411 273295 25869166 23798042 3-1 20: 205 217 175 220 177 189 232 261 191 203 192 206 233 176 219 178 190 163 150 135 0.915 41.49 -74.1 70 86 62 86 276 33.3 0.656 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.7604 2134.6 >22 scans 87% TIC 0.0086% 8.91% 6416 0.1 1862 5181667 765654339 733179222 0-1 0.998 41.76 736.9 81 100 100 100 272 544.2 8.544 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.8696 2140.7 9.4 scans 93% 189 m/z 0.027% 2.61% 6434 0.5 1332 1644292 224782873 215385704 1-1 20: 189 272 105 133 147 119 91 161 190 95 107 41 159 69 81 202 93 55 79 109 0.989 41.87 741.3 81 100 99 100 272 299.8 5.065 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.0036 2148.2 8.9 scans 28% 93 m/z (74) 0.41% 0.167% 6457 1.1 334 108466 14379406 13185664 2-0 20: 93 121 119 107 133 91 79 94 120 216 122 77 92 81 132 109 80 108 123 135 0.895 42.05 -2.4 73 77 80 77 272 5.5 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0361 2150.0 8.0 scans 88% 74 m/z (159) 0.026% 0.835% 6462 0.8 793 1711976 71694179 67058725 2-7 19: 74 87 43 75 143 55 227 57 270 59 129 83 239 88 97 101 185 171 71 0.990 42.01 748.0 77 98 98 99 272 0.0 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3484 2167.6 7.8 scans 36% 73 m/z 0.14% 0.123% 6515 1.1 311 300207 10629256 9414550 3-2 19: 73 147 281 221 355 429 207 341 503 282 222 283 74 430 504 505 357 431 223 0.930 42.37 758.6 75 94 90 98 503 46.4 2.221 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1090 ? UNK 42.45min 42.4464 2173.1 8.4 scans 66% 159 m/z 0.017% 0.852% 6532 0.5 787 2545107 73220363 65993356 3-3 16: 159 105 160 91 69 41 119 187 93 145 79 158 77 133 94 131 0.838 42.45 762.5 79 100 85 99 272 11.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6796 2186.2 8.5 scans 62% 69 m/z 0.78% 0.0843% 6572 1.2 266 57466 7239969 6744110 0-3 20: 69 147 91 81 41 105 93 107 95 79 82 133 119 229 161 67 121 109 55 135 0.859 42.40 15.8 88 89 79 88 272 24.9 0.000 0.281 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1112 Phyllocladene 43.2362 2217.4 10.2 scans 77% 187 m/z 0.015% 2.08% 6666 0.5 1284 2991849 3.10% 179230750 167437348 266107117 2-0 20: 187 161 134 272 105 119 91 188 159 162 81 41 189 145 69 163 93 160 147 133 0.979 43.24 0.0 98 98 96 97 272 305.2 5.653 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.3195 2222.1 7.8 scans 59% 159 m/z 0.014% 0.644% 6680 0.8 806 3114968 0.876% 55305282 52591705 75196721 1-0 20: 159 186 157 129 270 128 144 143 131 199 115 171 142 141 130 271 185 156 127 172 0.874 43.31 794.5 79 99 85 98 270 156.0 3.752 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.7475 2246.1 >9 scans 58% 148 m/z (159) 1.0% 0.0790% 6753 1.0 239 42401 0.0832% 6787994 6167340 7141972 3-1 19: 148 107 109 123 133 79 74 229 174 87 106 149 67 190 122 108 175 203 257 0.958 43.55 10.9 75 78 82 79 272 13.6 0.321 0.195 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1238 Trachylobane 43.8472 2251.7 8.8 scans 85% TIC 0.14% 0.605% 6769 0.6 636 303044 0.652% 51934306 47574558 55968336 0-5 0.951 44.15 -17.6 82 82 82 82 272 89.3 1.973 -0.307 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.7865 2363.2 8.8 scans 68% 159 m/z 0.29% 0.238% 7097 0.8 421 151291 20495597 18981723 2-1 20: 159 161 272 69 119 95 105 43 121 41 81 79 187 55 93 145 91 109 67 120 0.939 45.79 887.2 79 100 95 99 429 5.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9181 2370.8 7.8 scans 56% 74 m/z (183) 0.28% 0.0705% 7120 1.2 229 158114 6054247 5569498 2-5 11: 74 87 143 75 298 199 88 255 101 185 213 0.773 45.92 892.1 74 98 82 98 298 34.8 2.305 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1234 ? Thunbergol 45.9866 2374.7 8.5 scans 28% TIC 0.56% 0.0598% 7132 1.0 232 79595 0.0814% 5141388 4838798 6987458 0-1 0.360 44.90 62.5 72 91 43 87 272 46.1 0.000 1.086 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1052 2381.5 7.7 scans 80% 79 m/z (157) 0.20% 0.212% 7152 1.1 399 218693 18229898 16086569 1-4 19: 79 67 95 93 80 81 108 55 41 91 94 107 77 121 135 59 78 87 109 0.983 46.13 -1.7 93 94 96 98 292 25.3 0.403 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1092 ?? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 46.1719 2385.4 >7 scans 41% TIC 1.7% 0.0104% 7163 1.8 138 26118 0.101% 899523 835577 8669942 0-1 0.859 42.21 979.5 65 88 60 88 272 34.7 6.308 3.965 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN N406_R~1-N1018 Geranyl-linalool/geraniol 46.2888 2392.1 8.7 scans 87% 69 m/z 0.24% 0.298% 7183 0.9 479 181314 25619800 24406258 1-2 20: 69 95 190 41 109 81 107 105 121 147 43 93 161 119 55 79 91 67 133 135 0.967 46.29 906.2 80 100 97 100 272 35.8 0.558 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7629 2419.4 8.3 scans 60% 74 m/z (105) 0.79% 0.0295% 7263 1.3 144 56476 2534524 2244989 4-4 17: 74 87 43 75 143 55 298 255 57 199 59 83 129 101 213 98 268 0.937 46.76 924.3 74 98 95 98 298 24.2 2.833 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5020 2461.9 7.9 scans 22% 138 m/z (157) 7.5% 0.00319% 7388 1.3 49 5986 274031 263372 10-1 5: 138 120 121 139 306 0.734 47.50 949.1 69 97 76 94 168 6.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.7009 2473.4 7.1 scans 38% 221 m/z (141) 2.6% 0.00795% 7422 1.0 83 17232 682404 646439 2-2 16: 221 73 147 295 369 296 281 222 207 370 357 267 371 355 75 148 0.821 44.32 1026.1 71 97 89 97 369 17.6 4.488 3.381 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 47.7009 2473.4 7.1 scans 33% 221 m/z 2.6% 0.00644% 7422 1.0 77 17206 552876 523737 2-2 16: 221 73 147 295 369 296 281 222 207 370 357 267 371 355 75 148 0.779 40.63 1093.3 72 96 75 94 369 16.7 4.673 7.068 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9371 2544.5 8.3 scans 73% 73 m/z 0.54% 0.0355% 7631 1.3 165 82144 3049996 2825306 2-3 20: 73 147 221 355 429 281 207 356 430 282 295 431 357 222 148 74 341 327 267 342 0.880 48.95 994.1 72 93 89 99 429 40.1 5.949 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3609 2626.4 8.3 scans 71% 74 m/z 0.83% 0.0266% 7872 1.2 141 54109 2287192 2088288 2-6 20: 74 87 43 75 143 326 55 69 83 97 71 59 101 199 129 56 84 185 70 85 0.851 50.36 1039.4 75 96 84 95 326 26.1 3.426 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8580 2712.6 8.4 scans 63% 73 m/z 1.2% 0.0150% 8126 1.3 107 36940 1290861 1233130 1-4 20: 73 147 221 355 429 281 295 207 357 356 74 503 431 504 145 327 341 149 296 205 0.782 51.86 1081.7 77 99 79 97 503 14.9 1.959 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP1.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6331 2872.3 9.0 scans 47% 73 m/z (369) 4.6% 0.00441% 8596 1.5 54 9597 378638 340903 4-3 16: 73 147 281 221 282 355 357 295 503 356 208 223 296 148 430 222 0.728 45.81 1395.8 70 96 74 93 503 6.7 0.000 8.821 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2544 775.0 4.7 scans 94% TIC 0.026% 0.161% 62 2.2 426 1929583 0.163% 14140572 13439801 14252131 1-7 0.995 4.37 21.0 100 100 99 100 77 363.1 72.564 -0.117 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.2113 826.0 11.0 scans 57% 57 m/z (44) 1.0% 0.0144% 394 0.4 82 49753 1265313 1112434 1-7 11: 57 41 39 87 45 59 55 58 38 70 102 0.902 6.03 -135.6 74 98 92 98 102 9.4 1.309 0.178 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5915 835.9 17.8 scans 68% 207 m/z 0.46% 0.0344% 458 2.8 111 110668 3015633 2646783 2-3 20: 207 208 133 177 81 178 193 82 163 176 119 103 135 89 165 38 147 67 194 134 0.807 6.53 -140.9 80 100 82 99 207 87.0 61.550 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6895 864.4 9.0 scans 80% 69 m/z 2.0% 0.0201% 644 1.6 118 24388 0.0370% 1759114 1694099 3235146 1-0 17: 69 41 83 55 42 39 57 98 97 70 80 43 56 79 54 51 50 0.946 7.71 9.1 98 98 94 98 98 28.4 5.739 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2356 982.8 10.7 scans 47% 281 m/z 0.46% 0.0330% 1414 2.3 126 110224 2892577 2603171 2-3 20: 281 43 282 283 71 133 99 41 249 193 55 235 67 207 208 73 39 108 142 126 0.588 12.22 36.5 92 99 73 99 281 86.8 47.698 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9299 1000.9 8.5 scans 41% 84 m/z (109) 8.5% 0.00589% 1532 2.2 59 5995 515353 485298 1-0 5: 84 41 82 67 69 0.711 12.96 -173.9 65 97 81 95 110 3.9 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2439 1009.4 10.9 scans 67% 81 m/z (91) 1.0% 0.0194% 1585 2.0 91 49746 1697693 1551694 2-3 18: 81 110 53 41 39 79 67 77 65 109 68 82 111 51 50 52 69 112 0.935 13.22 45.8 88 98 93 98 110 25.2 7.691 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1016 ? Limonene 13.9057 1027.4 8.1 scans 24% 68 m/z 6.6% 0.00253% 1697 1.3 45 7696 221644 201963 2-1 18: 68 67 57 93 124 94 92 123 107 136 41 121 91 56 55 79 82 69 0.397 13.89 52.1 74 97 57 94 136 11.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1147 1033.0 11.4 scans 95% 79 m/z 0.048% 0.722% 1732 0.9 581 1050059 63140751 58018615 2-5 20: 79 108 107 77 51 91 78 50 80 90 89 63 65 109 39 53 52 74 105 62 0.996 14.11 54.0 92 100 100 100 108 255.7 19.341 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4523 1042.2 9.2 scans 52% 91 m/z 0.57% 0.0201% 1790 1.4 109 88885 1762330 1554208 2-5 15: 91 120 92 65 89 73 63 121 51 75 50 38 104 93 87 0.885 14.44 57.4 89 99 93 99 120 35.9 10.863 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1779 1061.8 11.4 scans 74% 105 m/z 0.17% 0.107% 1913 1.6 232 284191 0.135% 9382449 8874065 11803912 2-0 20: 105 77 123 51 46 106 50 78 124 74 38 76 79 75 52 53 37 80 62 73 0.928 15.17 64.4 89 100 96 99 123 83.1 12.845 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1932 1062.2 9.6 scans 15% 94 m/z (122) 1.0% 0.0212% 1915 1.7 103 48761 1855548 1726937 2-2 8: 94 109 66 53 67 110 80 38 0.158 16.11 -208.0 73 98 87 98 109 52.2 25.874 -0.916 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN 98-86-2 ? Acetophenone 15.2646 1064.2 >11 scans 68% TIC 0.40% 0.0348% 1927 1.6 150 126618 0.111% 3044094 2881548 9705439 0-2 0.937 15.29 -181.5 78 98 92 99 120 44.6 8.829 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4329 1068.7 8.8 scans 54% TIC 0.72% 0.0171% 1956 1.4 124 70098 1495832 1412937 1-1 0.784 15.43 67.0 85 99 81 99 124 40.0 10.469 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1028 ?? p-Cymenene 16.2139 1089.9 8.7 scans 14% 132 m/z (133) 19% 0.000813% 2088 1.7 22 2561 71076 65542 2-0 5: 132 117 115 131 92 0.645 16.25 -184.7 63 94 66 92 132 13.2 35.035 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1002 Undecane 16.6094 1100.9 8.2 scans 27% 57 m/z 4.1% 0.00358% 2155 1.3 55 12340 313526 275369 3-1 17: 57 71 43 85 55 41 56 70 80 58 93 83 237 156 107 113 99 0.625 16.59 0.9 82 93 69 90 156 7.9 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7800 1108.2 8.2 scans 78% TIC 1.0% 0.0365% 2184 1.1 167 50297 0.0466% 3194359 2802816 4074536 0-7 0.968 16.82 85.8 79 96 94 95 124 3.7 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9536 1115.5 12.7 scans 55% 71 m/z (126) 0.85% 0.0358% 2214 1.1 126 59873 0.0478% 3131677 2878552 4179459 1-2 11: 71 43 55 57 69 72 41 70 56 45 123 0.944 16.97 90.8 76 96 92 97 128 29.3 5.391 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0823 1163.2 >8 scans 58% TIC 0.33% 0.0466% 2405 0.4 187 151639 4080366 3649982 3-0 0.958 18.13 -168.5 80 100 95 100 355 74.1 15.633 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1018 ? Pyranone 18.2133 1168.7 12.3 scans 88% 43 m/z (281) 0.11% 0.373% 2427 0.3 406 463755 32677501 30875017 2-2 20: 43 144 101 44 72 73 55 45 115 42 145 58 39 71 74 54 56 102 67 38 0.997 18.22 125.2 78 99 99 99 144 177.6 19.119 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN M4942-N1002 ? Pyranone 18.2133 1168.7 12.3 scans 81% 43 m/z 0.11% 0.322% 2427 0.3 390 458592 28175624 26621462 2-2 20: 43 144 101 44 72 73 55 45 115 42 145 58 39 71 74 54 56 102 67 38 0.919 20.04 -221.8 79 98 88 98 144 176.9 20.599 -1.829 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 18.3367 1173.9 14.1 scans 57% 60 m/z 1.9% 0.0220% 2448 0.4 110 26000 1928057 1726612 1-6 18: 60 85 69 41 55 97 57 101 73 115 87 88 82 98 45 83 108 86 0.858 22.03 -135.2 76 99 86 99 175 0.0 0.000 -3.697 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7163 1190.0 8.3 scans 35% 98 m/z (137) 11% 0.00346% 2512 0.9 48 4296 303170 278234 1-1 15: 98 82 69 111 107 39 80 95 67 70 79 100 81 41 99 0.820 18.71 139.2 65 92 79 93 153 1.8 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8290 1194.7 9.4 scans 46% 70 m/z (68) 5.4% 0.0113% 2531 1.0 81 9380 996663 892652 1-2 16: 70 57 55 83 69 41 42 84 39 72 112 111 97 53 135 71 0.934 18.83 142.0 64 84 85 98 122 4.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 18.9294 1199.0 12.5 scans 35% 105 m/z (51) 2.1% 0.0123% 2548 0.7 71 23709 1078681 1017362 2-2 14: 105 122 77 78 123 50 106 65 76 79 75 121 103 92 0.844 20.03 128.3 71 96 88 96 122 34.6 23.852 -1.100 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1242 1207.2 7.9 scans 16% 82 m/z (109) 7.5% 0.00154% 2581 1.5 32 6732 135378 118670 1-0 3: 82 81 54 0.796 19.12 150.1 62 92 76 90 97 5.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1012 ?? Nicotine 19.7016 1231.6 >10 scans 2.3% 142 m/z 13% 0.000296% 2679 2.3 16 3794 25895 22015 0-5 3: 142 133 99 0.668 25.78 76.3 61 100 100 100 162 0.0 0.000 -6.076 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7588 1234.0 21.5 scans 80% TIC 0.21% 0.0752% 2689 1.0 215 241196 0.132% 6578289 6178231 11541603 3-0 0.935 13.76 34.5 78 83 72 84 134 75.5 12.355 6.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8255 1236.8 10.3 scans 67% 57 m/z (119) 0.46% 0.0684% 2700 1.7 183 109299 5985383 5248181 10-3 17: 57 45 41 75 87 56 101 100 59 72 60 44 85 58 73 71 132 0.972 19.81 169.3 75 95 92 100 144 3.2 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3155 1257.5 8.7 scans 25% 57 m/z (107) 5.5% 0.00345% 2783 1.2 46 9214 302042 282609 3-2 8: 57 71 170 85 56 58 112 98 0.789 20.32 -0.2 81 92 77 89 170 6.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1034 ? Decanal 20.5233 1263.8 8.3 scans 55% 57 m/z 1.6% 0.0247% 2818 0.9 129 31300 2167942 1978528 2-3 18: 57 55 41 70 82 71 44 68 112 56 81 83 45 69 67 84 42 96 0.805 20.57 -143.2 75 97 80 96 138 8.4 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9513 1276.6 12.2 scans 22% 94 m/z (91) 0.85% 0.0165% 2891 1.3 87 59793 1444796 1318178 2-1 5: 94 138 45 88 139 0.728 20.98 191.6 70 97 70 95 152 4.2 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9643 1277.0 >18 scans 31% 95 m/z (94) 1.8% 0.0456% 2893 0.8 129 27011 3987819 3743377 3-0 4: 95 66 44 72 0.296 32.87 16.7 63 68 39 67 206 0.0 0.000 -11.909 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1544 1282.7 8.6 scans 11% 281 m/z 1.5% 0.00703% 2925 1.9 61 32043 615302 557216 3-4 12: 281 283 282 193 267 265 207 194 284 251 223 165 0.766 12.25 129.6 75 96 63 95 281 46.8 58.288 8.903 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4483 1291.6 6.7 scans 9.6% 147 m/z (139) 8.3% 0.00223% 2974 1.1 41 6097 195688 166965 0-4 8: 147 281 73 282 265 369 370 154 0.642 21.56 -147.1 67 95 71 94 369 10.3 6.315 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1024 ?? Hexadecane 22.5056 1323.3 7.3 scans 29% 43 m/z 4.1% 0.00275% 3154 1.2 54 12272 240968 216374 1-2 18: 43 85 71 57 56 125 70 84 41 99 83 55 155 141 108 107 126 127 0.692 33.32 56.3 64 83 66 81 226 0.0 0.000 -10.813 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9011 1335.2 8.2 scans 16% 109 m/z 0.79% 0.0234% 3221 1.1 127 64388 2051589 1847565 2-8 4: 109 86 110 128 0.682 22.91 221.6 67 92 71 91 127 15.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.1054 1341.3 >21 scans 86% 60 m/z 0.20% 0.342% 3255 0.1 329 245257 29978051 27614380 1-8 20: 60 73 57 115 129 55 43 41 98 69 87 101 56 45 70 39 74 42 83 99 0.971 25.35 192.1 77 95 94 100 162 0.0 0.000 -2.249 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.1054 1341.3 >21 scans 82% 60 m/z (107 136) 0.19% 0.351% 3255 0.1 320 262177 30703426 28282561 1-8 20: 60 73 57 115 129 55 43 41 98 69 87 101 56 45 70 39 74 42 83 99 0.986 22.70 -134.0 71 94 94 98 158 20.0 0.391 0.409 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1006 ?? Tridecane 23.8386 1363.3 9.7 scans 24% 57 m/z (123) 4.0% 0.00518% 3379 1.2 50 12524 453118 451062 1-0 6: 57 71 84 120 184 70 0.684 23.86 -0.7 69 83 64 80 184 8.2 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0854 1371.5 7.5 scans 82% TIC 0.14% 0.129% 3422 1.5 309 344489 11351790 10760454 3-5 0.938 24.17 -152.3 80 99 91 99 429 92.6 8.966 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5429 1386.7 7.5 scans 44% TIC 2.5% 0.00363% 3499 1.2 76 20135 0.00747% 317843 317843 653150 0-0 0.822 24.54 249.4 74 97 80 94 169 9.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6798 1391.3 7.4 scans 48% TIC 1.7% 0.00727% 3522 1.0 95 28957 636087 571938 1-1 0.849 24.70 251.7 69 91 78 95 170 4.0 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1032 ?? Dodecane 24.8669 1397.6 13.4 scans 31% 71 m/z (119) 9.4% 0.00473% 3554 1.2 50 5430 413543 397477 1-0 6: 71 57 84 125 141 105 0.831 20.36 -2.6 64 71 75 81 170 0.0 0.000 4.509 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4620 1417.4 16.1 scans 72% 84 m/z 0.11% 0.195% 3655 1.9 274 427746 17083507 15834620 2-2 20: 84 133 42 92 118 85 71 65 51 78 161 82 132 41 89 131 44 50 98 66 0.857 25.89 260.4 74 94 77 93 162 74.6 7.428 -0.430 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0860 1471.7 6.7 scans 57% 221 m/z 1.0% 0.0164% 3930 1.0 118 46503 1437312 1365746 2-2 20: 221 73 147 281 222 267 355 268 223 148 443 282 356 74 444 265 283 205 339 357 0.877 27.12 296.8 77 97 84 96 355 22.8 3.712 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 8.1 scans 74% 57 m/z (183) 0.57% 0.0411% 3944 1.0 166 88535 0.0527% 3598862 3451044 4607898 1-0 20: 57 71 43 85 41 56 55 70 99 198 113 42 84 127 69 112 98 126 72 86 0.980 27.21 -1.4 94 96 96 98 198 19.7 1.409 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N407_R~1-N1114 ?? Caryophyllene 27.8404 1499.5 8.4 scans 70% 93 m/z (136) 2.5% 0.0476% 4057 1.0 173 20391 4166805 3932250 2-2 20: 93 133 71 91 41 79 57 69 43 107 119 168 85 55 120 81 77 67 161 134 0.951 27.84 314.1 68 90 89 96 204 11.1 0.411 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9798 1504.8 10.5 scans 73% TIC 0.33% 0.0629% 4081 1.5 203 153595 5504130 5073451 1-1 0.948 27.93 318.1 79 99 94 99 146 89.3 19.259 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6545 1530.1 8.1 scans 73% TIC 0.17% 0.106% 4196 1.1 281 294363 0.124% 9309319 8658083 10842112 3-0 0.882 28.67 332.7 77 98 87 97 194 18.8 0.449 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5152 1562.5 7.7 scans 75% TIC 0.10% 0.220% 4341 1.2 408 484625 19256691 18180473 1-3 0.892 29.61 -150.6 79 99 92 99 503 67.3 2.719 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6480 1567.5 7.9 scans 76% 177 m/z 0.096% 0.172% 4364 0.9 367 528297 15086264 14170863 1-1 20: 177 43 158 178 135 91 93 157 77 105 121 107 149 79 159 133 122 95 119 192 0.937 29.68 355.0 68 88 83 88 192 41.3 1.270 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7490 1571.3 8.3 scans 56% TIC 0.18% 0.0358% 4381 1.5 193 279640 0.0487% 3132781 2963003 4258152 1-0 0.847 29.77 357.3 78 99 86 98 193 16.8 0.763 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8340 1574.5 8.9 scans 38% 105 m/z (85 139) 1.3% 0.0244% 4395 0.9 122 37130 0.0413% 2140961 2004406 3611123 0-2 18: 105 106 93 91 107 161 121 168 133 189 204 80 94 79 148 119 129 147 0.925 29.85 359.4 65 90 85 94 204 17.5 2.079 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9385 1578.4 8.9 scans 63% 71 m/z (167) 0.37% 0.0923% 4413 0.9 223 136768 8076224 7568667 1-2 15: 71 85 57 43 99 113 127 155 84 69 70 56 169 86 154 0.952 29.94 362.0 74 97 96 99 254 5.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3122 1592.5 8.1 scans 33% 85 m/z (169) 1.2% 0.0191% 4477 2.0 109 40408 1673058 1530763 1-1 16: 85 43 56 98 99 212 39 70 83 112 140 97 213 113 155 183 0.926 30.38 -2.4 86 94 92 92 212 13.7 0.000 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4993 1600.0 7.9 scans 82% 191 m/z 0.041% 0.255% 4508 0.9 432 1246795 22348052 20840323 2-2 20: 191 206 192 57 163 74 175 115 91 41 107 73 207 88 77 147 133 161 60 117 0.973 30.50 375.2 80 99 96 99 206 116.3 7.247 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8122 1613.2 8.4 scans 30% 124 m/z (71 161) 1.6% 0.0168% 4561 1.0 104 30538 1469823 1354982 3-2 5: 124 137 180 168 138 0.901 30.81 383.8 67 91 87 94 180 26.4 6.443 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8688 1615.6 10.3 scans 38% 161 m/z (189) 0.64% 0.0376% 4571 0.8 143 79587 3288525 3006959 2-0 18: 161 162 147 105 70 120 133 77 163 148 224 93 89 79 92 135 106 103 0.787 30.88 -0.4 79 84 65 82 204 16.4 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1835 1628.8 8.9 scans 62% 111 m/z (57) 0.25% 0.111% 4624 0.9 264 197907 9757492 9045108 5-2 15: 111 109 137 43 180 67 110 41 124 152 95 39 79 77 112 0.932 31.18 393.8 75 97 90 99 180 56.4 4.559 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5111 1642.6 >10 scans 54% TIC 0.37% 0.0596% 4679 1.0 212 134835 0.166% 5216630 4872971 14514440 2-0 0.723 31.52 -0.1 89 94 85 94 166 39.6 3.492 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1102 ? UNK 31.99min 32.0058 1663.3 8.8 scans 72% 127 m/z 0.051% 0.303% 4763 0.8 449 987098 26501427 24354264 7-4 20: 127 85 75 129 74 128 97 59 98 43 84 126 55 45 41 101 71 42 58 69 0.873 31.99 416.1 79 99 87 99 129 108.6 5.847 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0849 1666.7 6.5 scans 68% 221 m/z 0.21% 0.0792% 4777 0.9 264 236899 6926437 6519391 2-2 19: 221 73 147 207 295 222 355 341 223 281 296 325 148 267 356 297 208 342 343 0.965 32.08 0.3 97 96 90 98 355 45.4 2.958 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2325 1672.9 9.4 scans 26% 57 m/z (93) 0.81% 0.0363% 4801 1.3 134 62703 3174519 2758454 3-2 7: 57 71 149 182 100 211 162 0.744 32.24 -0.2 71 80 74 77 226 5.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4350 1681.4 8.2 scans 54% 57 m/z 0.46% 0.0451% 4836 1.2 190 110907 3944112 3515634 2-3 20: 57 71 85 56 43 197 41 55 99 113 70 69 83 196 127 168 111 42 97 82 0.866 32.44 -0.3 85 86 79 84 226 7.9 0.175 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 8.8 scans 71% 205 m/z (137) 1.2% 0.0899% 4876 0.9 235 39402 7861621 7240713 1-4 17: 205 91 119 105 93 107 79 162 77 187 146 121 131 106 117 67 123 0.976 32.67 -0.2 94 96 94 98 220 14.6 0.390 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8689 1699.6 >10 scans 43% TIC 0.53% 0.0329% 4909 0.8 165 96424 0.0754% 2885037 2696302 6592704 2-0 0.732 32.87 0.1 75 81 64 78 186 1.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 8.1 scans 53% 71 m/z 0.12% 0.0665% 4920 0.7 217 396876 5820350 5256566 3-2 11: 71 43 159 243 155 72 173 123 143 73 89 0.912 32.93 -0.1 97 97 92 96 243 35.7 2.709 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0855 1708.7 7.4 scans 44% 83 m/z (165) 2.4% 0.0239% 4946 1.2 129 21200 2094535 1861528 7-2 20: 83 97 111 55 69 56 57 70 41 43 84 68 98 82 85 112 67 71 39 125 0.913 33.09 0.0 93 99 98 99 224 7.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.8 scans 68% 57 m/z (184) 0.37% 0.0666% 4984 0.9 215 137582 0.0888% 5825348 5450080 7764351 0-9 19: 57 71 43 85 41 56 55 99 70 84 42 111 98 69 113 112 72 86 226 0.969 33.37 -2.8 85 88 94 93 226 24.3 1.284 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1104 ? UNK 33.53min 33.5395 1723.2 8.8 scans 80% TIC 0.11% 0.302% 5023 0.8 450 440254 26454544 23879693 3-2 0.912 33.53 453.0 79 99 92 99 166 67.2 2.225 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8925 1728.2 7.3 scans 29% 71 m/z (164) 2.3% 0.0114% 5083 0.9 93 21720 0.0151% 1005414 949191 1320289 0-1 17: 71 57 43 85 70 197 196 113 99 56 69 41 53 198 127 42 168 0.897 33.90 -0.1 89 97 90 96 197 18.4 3.887 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.0991 1731.2 8.3 scans 55% 109 m/z (202) 0.74% 0.0726% 5118 0.9 210 68718 6350351 5433417 9-9 17: 109 105 95 121 77 191 107 135 119 182 220 81 93 137 136 192 123 0.901 34.14 452.0 73 96 87 96 220 30.6 2.120 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.9 scans 52% 57 m/z (173) 0.71% 0.0419% 5147 1.0 171 71202 3664048 3373805 1-2 16: 57 59 71 85 43 41 98 210 72 211 113 127 182 86 183 141 0.949 34.27 0.1 84 86 77 95 211 27.3 2.544 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4067 1735.6 7.5 scans 89% 73 m/z 0.037% 0.697% 5170 0.9 726 1351008 60947618 57542791 2-2 20: 73 355 147 221 281 356 282 222 415 402 327 74 207 267 403 283 148 223 385 416 0.986 34.39 452.6 80 100 98 100 415 84.4 1.352 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7544 1740.6 11.0 scans 76% 91 m/z 0.055% 0.408% 5229 0.4 466 914560 35760808 33461012 2-2 19: 91 155 199 90 65 184 92 44 89 120 137 63 39 77 64 156 51 107 154 0.949 34.79 451.6 79 99 95 99 199 132.2 8.053 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9014 1742.7 8.0 scans 40% 68 m/z (197) 0.76% 0.0480% 5254 1.1 177 66564 4204419 3827206 2-2 3: 68 69 224 0.944 34.90 -0.0 93 96 97 96 224 23.6 1.767 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9138 1757.1 9.3 scans 42% 91 m/z (72) 1.0% 0.0509% 5426 1.5 174 50950 4457242 4455290 0-1 15: 91 155 184 199 44 159 191 187 117 131 73 132 136 89 185 0.892 35.94 450.7 67 91 77 91 238 7.8 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5519 1766.3 6.9 scans 65% 221 m/z (85) 0.26% 0.0958% 5533 1.0 274 193614 8377040 7729282 4-2 20: 221 73 147 295 207 281 222 369 341 223 296 148 327 74 208 297 282 355 370 342 0.946 36.58 449.8 77 99 95 99 369 41.0 2.233 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N407_R~1-N1140 ?? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6783 1768.1 8.6 scans 20% 220 m/z (98) 2.3% 0.0119% 5555 0.9 88 21553 1043374 977023 1-1 14: 220 109 123 124 135 205 133 136 77 221 107 137 93 206 0.856 36.70 449.6 68 93 69 93 220 33.9 14.827 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1948 1775.5 8.2 scans 42% 209 m/z (43) 0.56% 0.0353% 5642 1.2 154 89973 3087945 2952188 2-1 19: 209 224 181 165 210 167 105 225 166 194 103 179 152 77 119 182 115 178 239 0.906 37.20 449.2 75 98 93 99 224 47.8 9.595 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3052 1777.0 8.8 scans 53% 85 m/z (91) 0.86% 0.0494% 5661 1.4 170 58800 4321918 3884413 1-2 14: 85 71 57 43 99 113 84 127 141 155 70 169 211 126 0.956 38.91 -23.0 81 86 93 86 254 3.1 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0602 1787.8 7.8 scans 64% TIC 0.42% 0.0439% 5789 1.0 206 119724 3845518 3651848 2-1 0.914 38.06 448.1 78 99 91 98 225 38.8 3.548 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.6116 1795.7 8.4 scans 90% TIC 0.057% 0.470% 5882 1.0 556 889861 41128531 36330077 1-11 0.985 38.59 447.6 80 100 98 100 429 159.2 8.199 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1108 ? Solavetivone 38.8412 1799.0 9.0 scans 59% 108 m/z (138) 1.3% 0.105% 5921 1.1 251 38241 9212409 8456075 2-3 19: 108 133 79 91 161 147 93 109 105 107 67 119 190 68 137 77 176 218 95 0.803 38.84 447.0 74 96 95 99 272 8.5 0.114 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1553 1830.4 8.9 scans 96% 159 m/z 0.025% 2.09% 5974 0.6 1161 2043646 182963701 177381269 2-1 20: 159 161 119 120 91 69 81 41 132 93 160 146 121 107 131 162 117 133 79 67 0.997 39.14 473.7 81 100 100 100 272 134.9 1.351 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4605 1868.3 8.2 scans 58% 74 m/z 0.21% 0.0852% 6026 1.0 249 234139 7455342 6993947 2-2 15: 74 87 43 143 75 213 256 59 225 129 101 88 157 97 199 0.868 39.45 506.8 70 92 79 92 256 39.3 2.503 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8053 1911.0 10.4 scans 93% 68 m/z 0.040% 1.83% 6085 0.8 1021 1247732 160545827 152228780 2-2 20: 68 95 82 123 69 57 81 55 83 67 97 41 71 96 124 111 79 56 110 85 0.997 39.94 541.9 80 99 99 99 278 54.8 0.288 -0.131 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9151 1924.6 8.0 scans 52% 58 m/z (161) 0.62% 0.0633% 6103 1.1 208 81664 5538185 5139361 0-2 8: 58 43 59 109 110 124 250 165 0.954 39.88 556.3 72 97 94 96 250 22.1 1.134 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1094 Geranyl-a-terpinene 40.2492 1966.0 10.9 scans 91% 119 m/z 0.021% 2.95% 6160 0.5 1253 2424288 258146301 240849798 3-2 20: 119 161 91 69 120 41 93 81 55 133 131 107 79 121 77 187 117 95 147 67 0.964 40.24 592.1 80 100 97 99 272 142.6 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3165 1974.4 8.1 scans 36% 149 m/z (202) 0.23% 0.0315% 6171 0.7 141 216730 2762360 2521833 4-2 6: 149 150 223 76 167 224 0.946 40.31 599.5 67 93 73 92 223 34.5 5.978 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1110 Phytol 40.6270 2012.9 >22 scans 92% 81 m/z 0.014% 9.81% 6224 0.1 1758 3602012 857852602 829210563 0-10 20: 81 82 95 123 68 79 43 109 83 124 67 69 41 57 55 97 96 71 278 110 0.997 40.66 -4.3 100 100 100 100 278 250.4 2.028 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1254 Phytol 41.0267 2062.4 17.7 scans 80% TIC 0.018% 5.54% 6291 0.3 1420 2703289 484643563 451536563 0-2 0.862 40.87 19.7 97 97 86 97 278 238.3 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3620 2104.0 9.6 scans 92% 79 m/z (272) 0.036% 1.51% 6348 0.6 938 1387131 132182270 124440837 2-1 20: 79 93 95 80 91 108 121 55 81 41 77 94 107 135 87 59 69 122 105 109 0.998 41.26 13.0 96 96 98 99 264 68.2 0.530 0.104 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1010 ? Phytol 41.52min 41.5078 2120.4 >9 scans 71% TIC 0.054% 0.504% 6373 0.9 608 935707 44085153 39490515 2-1 0.966 41.52 726.5 79 99 96 99 278 101.5 2.784 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLANKB1-N1012 ?? Contamination 41.49min 41.5609 2123.4 11.8 scans 32% 217 m/z (253) 0.18% 0.277% 6382 0.5 360 273509 24278663 22994524 2-0 19: 217 177 232 189 261 191 206 203 192 219 178 163 150 204 135 149 222 207 234 0.897 41.49 -73.2 69 85 55 84 276 32.5 0.814 0.071 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.6707 2129.5 22.0 scans 0.85% 85 m/z 0.78% 0.0168% 6401 1.1 140 65468 0.0451% 1472003 1472003 3943381 0-0 20: 85 71 136 57 113 155 111 175 99 193 270 164 127 126 154 259 232 169 227 217 0.038 42.05 -21.1 74 88 1 85 272 186.5 0.000 -0.374 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.7350 2133.1 19.7 scans 92% TIC 0.011% 7.63% 6411 0.2 1654 4590097 667823060 667823060 0-0 0.997 41.76 735.4 80 99 99 100 272 468.0 8.005 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.8502 2139.6 9.0 scans 86% 189 m/z 0.046% 1.56% 6431 0.6 990 1109639 136833732 127053164 2-2 20: 189 105 147 133 119 91 161 190 107 69 159 81 93 202 55 79 145 175 77 117 0.945 41.87 740.2 80 100 94 99 272 233.3 5.550 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0969 2153.5 12.2 scans 89% TIC 0.0094% 4.15% 6473 0.3 1424 5401821 363540719 343811959 2-2 0.977 42.01 751.5 78 97 97 98 272 0.0 0.000 0.086 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3513 2167.7 7.5 scans 27% 73 m/z 0.35% 0.0601% 6516 1.2 212 142564 5260980 4985672 1-5 18: 73 281 221 355 429 207 503 341 282 356 430 222 431 283 415 504 295 461 0.900 42.37 758.7 72 93 86 97 503 35.6 2.809 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1090 ? UNK 42.45min 42.4458 2173.0 8.4 scans 63% 159 m/z 0.031% 0.498% 6532 0.6 571 1604714 43582405 41574120 4-2 11: 159 105 160 91 69 145 93 158 79 77 94 0.819 42.45 762.4 78 100 82 99 272 10.2 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6831 2186.4 8.7 scans 56% 147 m/z (149) 1.3% 0.0777% 6572 1.1 222 38705 6800017 6314232 0-3 19: 147 69 105 91 107 81 161 119 41 93 79 229 133 82 121 55 67 109 148 0.949 42.40 16.0 86 90 87 89 272 20.6 0.865 0.284 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 42.9187 2199.6 >9 scans 48% 134 m/z (159) 1.4% 0.0441% 6612 0.6 158 36064 0.184% 3857357 3347977 16088295 5-0 18: 134 81 188 79 275 148 105 161 133 121 91 118 149 191 92 232 135 120 0.918 43.15 -13.2 62 66 74 72 272 9.2 0.338 -0.235 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1112 Phyllocladene 43.2357 2217.4 9.8 scans 79% TIC 0.021% 1.52% 6666 0.6 1058 2326633 2.50% 133205756 130559775 218590966 2-0 0.960 43.24 -0.0 100 100 96 100 272 257.9 5.945 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.3219 2222.2 8.0 scans 55% 159 m/z 0.017% 0.591% 6680 0.9 721 2890528 0.789% 51718608 49337806 68987309 1-0 20: 159 186 160 157 270 129 143 144 128 131 199 158 115 171 141 142 130 271 185 156 0.836 43.31 794.6 78 98 82 98 270 146.8 4.146 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1238 Trachylobane 43.8502 2251.9 8.7 scans 84% TIC 0.19% 0.479% 6770 0.9 562 264693 41907270 36698176 2-5 0.968 44.15 -17.4 82 82 85 82 272 83.8 2.227 -0.304 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 43.8738 2253.2 >4 scans 2.7% 244 m/z (221) 3.8% 0.00595% 6773 999.0 81 13353 0.0113% 520505 491183 988031 0-2 11: 244 140 267 238 86 138 239 168 139 225 167 0.086 43.55 18.0 63 76 2 79 272 36.9 0.000 0.322 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 45.1749 2328.0 8.9 scans 48% 109 m/z (98) 4.4% 0.0231% 6994 0.9 119 11476 2021250 1920267 1-1 20: 109 133 91 161 43 135 107 69 93 105 189 119 41 79 81 214 159 71 202 162 0.844 44.90 15.8 64 70 71 83 272 7.7 0.000 0.274 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5633 2350.3 8.2 scans 48% 135 m/z (83) 2.1% 0.0210% 7060 0.7 118 23962 1840260 1662039 2-2 4: 135 107 93 136 0.867 45.56 -0.1 65 71 69 70 290 5.3 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.7924 2363.5 9.0 scans 81% TIC 0.21% 0.384% 7099 0.7 487 232620 0.419% 33587400 29940438 36635846 3-3 0.947 45.79 887.5 77 98 95 99 429 4.3 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1879 2386.3 12.8 scans 88% 79 m/z 0.019% 3.74% 7166 0.3 1337 2628143 327150378 304927467 2-2 20: 79 67 95 93 108 81 80 55 41 107 94 77 135 69 149 87 78 122 59 105 0.962 46.13 3.1 95 94 95 99 292 106.3 0.632 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN N406_R~1-N1018 ? Geranyl-linalool/geraniol 46.3018 2392.8 8.5 scans 73% 69 m/z 0.22% 0.319% 7185 0.7 502 229070 27975245 27290654 1-1 20: 69 190 109 95 147 121 107 81 105 41 161 93 203 119 91 55 133 79 67 135 0.932 46.29 906.9 78 98 91 98 272 39.4 0.616 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7676 2419.7 7.9 scans 75% 74 m/z 0.18% 0.119% 7264 0.9 300 274614 10490178 9650142 2-3 20: 74 87 75 43 143 55 298 255 41 57 69 199 83 97 129 101 88 267 59 71 0.932 46.76 924.6 79 99 93 99 298 55.0 3.362 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2759 2448.9 9.1 scans 10% 134 m/z (98) 4.9% 0.00381% 7350 1.6 45 10309 333552 306328 2-2 5: 134 191 272 84 179 0.661 47.36 -4.6 65 76 37 71 272 7.1 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1226 ?? Sclareol 47.42min 47.3703 2454.4 9.4 scans 11% 177 m/z (308) 6.5% 0.00505% 7365 1.0 52 7804 441564 387484 1-3 5: 177 294 176 195 290 0.482 47.42 -2.7 67 82 35 78 290 6.7 1.674 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5085 2462.3 8.1 scans 71% 138 m/z 0.28% 0.0918% 7389 1.0 257 178468 8028982 7112436 7-3 20: 138 120 121 57 139 43 41 55 70 111 71 69 56 306 65 92 93 83 85 168 0.956 47.50 949.5 79 99 94 99 168 30.7 1.422 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN TAB_REP1-N1222 ? Sclareol 47.9min 47.9199 2486.0 >12 scans 27% 81 m/z (192) 10% 0.00872% 7459 1.5 69 4939 0.0178% 762804 727364 1556368 3-0 20: 81 136 223 84 122 110 79 121 163 72 292 95 107 109 147 135 108 148 114 164 0.663 47.95 -1.6 71 86 57 82 272 7.4 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9365 2544.5 7.8 scans 55% 73 m/z (117) 1.4% 0.0154% 7632 1.1 103 34615 1351608 1238426 2-5 20: 73 221 147 355 429 431 281 430 356 282 432 295 207 223 283 148 343 401 369 267 0.828 48.95 994.1 71 97 87 99 429 28.1 7.533 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9365 2544.5 7.8 scans 48% 73 m/z 1.4% 0.0126% 7632 1.1 96 34685 1108810 1015959 2-5 20: 73 221 147 355 429 431 281 430 356 282 432 295 207 223 283 148 343 401 369 267 0.743 51.86 913.6 72 95 70 93 503 7.1 0.000 -2.922 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6491 2873.2 >15 scans 34% TIC 6.0% 0.00406% 8599 0.9 48 8462 0.00845% 355497 325097 738837 2-0 0.681 45.81 1396.7 69 93 67 92 503 6.3 1.726 8.837 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2956 776.1 5.0 scans 93% 77 m/z 0.030% 0.122% 69 2.3 368 1496527 12328567 10889551 1-5 17: 77 45 78 79 62 76 59 75 63 47 61 46 92 60 58 64 48 0.995 4.37 22.1 100 100 99 100 77 312.7 72.201 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.1463 824.3 10.3 scans 56% 57 m/z (53) 1.0% 0.0106% 383 0.4 72 43995 1068214 929094 1-10 7: 57 41 59 39 87 102 58 0.831 6.03 -137.3 72 98 84 98 102 8.2 0.000 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5323 834.3 19.8 scans 69% 207 m/z 0.43% 0.0286% 448 3.2 106 105327 2882745 2733252 1-1 19: 207 208 209 133 191 177 88 103 161 192 193 210 165 87 178 147 211 115 163 0.756 6.53 -142.5 79 100 83 99 207 83.0 61.067 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6404 863.2 8.4 scans 86% 69 m/z 0.86% 0.0366% 636 1.5 168 52796 0.0566% 3684206 3448773 5696365 2-0 20: 69 41 55 83 39 42 57 98 70 97 43 80 56 54 53 51 68 40 81 79 0.982 7.71 7.9 100 99 98 99 98 35.0 4.336 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2231 982.5 13.8 scans 44% 281 m/z 0.47% 0.0293% 1412 2.5 115 97019 2954770 2759248 1-2 20: 281 193 283 207 69 71 251 249 191 99 126 53 133 265 282 267 73 266 81 208 0.745 12.22 36.2 93 98 87 99 281 79.6 48.001 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2231 1008.9 10.2 scans 74% 81 m/z (91) 0.60% 0.0252% 1582 2.0 111 75493 2542902 2269678 2-3 17: 81 110 53 79 39 67 41 68 77 82 51 109 55 65 54 80 62 0.962 13.22 45.3 90 99 95 99 110 30.1 7.405 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1016 Limonene 13.8985 1027.2 8.1 scans 66% 68 m/z (42) 2.2% 0.0124% 1695 1.2 93 20641 1252378 1112167 2-3 15: 68 67 136 121 94 107 53 91 124 39 123 81 122 108 69 0.861 13.89 51.9 85 98 92 98 136 18.3 3.888 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1080 1032.8 11.9 scans 93% 79 m/z 0.041% 0.691% 1731 0.9 586 1108907 69596538 60718433 3-6 20: 79 108 107 77 51 91 78 50 80 90 89 39 65 109 63 52 105 74 62 38 0.996 14.11 53.8 92 100 100 100 108 256.4 19.157 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4410 1041.9 8.8 scans 66% 91 m/z 0.36% 0.0245% 1788 1.5 127 125795 2470265 2175220 2-4 19: 91 92 120 65 63 39 89 51 121 90 62 64 50 38 122 93 74 49 66 0.918 14.44 57.1 90 99 93 99 120 42.1 11.069 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1659 1061.5 10.8 scans 84% 105 m/z 0.11% 0.147% 1911 2.1 267 389689 14820306 13663666 2-1 20: 105 77 123 51 46 106 50 78 124 74 76 52 75 63 79 39 49 53 73 62 0.964 15.17 64.1 89 99 97 99 123 94.2 12.437 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1854 1062.0 9.8 scans 5.8% 94 m/z (105) 1.8% 0.00734% 1914 1.4 64 24447 738670 679226 4-3 4: 94 109 66 93 0.569 16.11 -208.2 71 96 82 95 109 36.2 31.984 -0.924 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 15.2450 1063.6 >11 scans 41% 39 m/z (120) 0.91% 0.0203% 1924 2.3 107 50090 0.0758% 2044810 1852421 7628701 0-5 9: 39 43 78 107 62 91 108 51 57 0.920 20.03 -7.1 74 76 67 81 122 22.4 4.396 -4.784 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN 98-86-2 ? Acetophenone 15.2450 1063.6 >11 scans 31% 39 m/z 0.97% 0.0101% 1924 2.3 93 46929 0.0380% 1025556 929065 3824415 0-5 9: 39 43 78 107 62 91 108 51 57 0.860 15.29 -182.1 73 95 83 97 120 34.1 13.511 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4251 1068.5 8.7 scans 57% 95 m/z (71) 1.2% 0.0138% 1954 1.3 97 36675 1398525 1291746 1-1 15: 95 81 124 43 53 109 82 39 41 107 52 40 50 80 38 0.837 15.43 66.8 83 98 93 99 124 28.2 8.455 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1002 Undecane 16.6081 1100.9 >11 scans 39% TIC 3.5% 0.00453% 2155 1.1 60 12780 456368 390910 2-1 0.616 16.59 0.9 86 97 72 94 156 8.1 1.838 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7728 1107.8 8.2 scans 75% 57 m/z (121) 1.1% 0.0311% 2183 1.2 145 40623 3135587 2764041 4-4 17: 57 41 56 43 55 44 98 69 70 82 68 95 96 67 42 45 72 0.954 16.82 85.4 77 97 94 96 124 3.4 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9570 1115.6 9.5 scans 39% 71 m/z (126) 1.2% 0.0156% 2214 1.3 94 36698 1571699 1388162 1-5 14: 71 95 110 58 128 84 57 85 70 72 59 96 45 129 0.918 16.97 90.9 75 97 83 96 128 24.6 6.917 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1008 ? Maltol 16.9570 1115.6 9.5 scans 44% 71 m/z (81) 1.0% 0.0174% 2214 1.3 99 44179 1754652 1549751 1-5 14: 71 95 110 58 128 84 57 85 70 72 59 96 45 129 0.630 16.96 91.0 72 98 58 92 156 5.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0839 1163.2 9.3 scans 39% 355 m/z 0.82% 0.0185% 2405 1.4 112 55321 1871836 1781123 2-2 18: 355 267 356 268 357 269 251 193 358 154 270 119 250 223 359 323 191 162 0.689 18.13 -168.5 78 98 54 98 355 60.1 28.916 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN M4942-N1002 ? Pyranone 18.1559 1166.3 9.1 scans 85% 144 m/z (251) 0.26% 0.0956% 2417 0.9 244 174112 9627734 8449575 3-9 13: 144 43 44 101 72 55 45 42 115 145 58 54 116 0.990 20.04 -224.2 78 100 99 100 144 103.3 18.006 -1.886 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.1559 1166.3 9.1 scans 75% 144 m/z 0.26% 0.0793% 2417 0.9 229 174569 7981137 7004475 3-9 13: 144 43 44 101 72 55 45 42 115 145 58 54 116 0.974 18.22 122.8 74 93 89 93 144 102.8 20.149 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7002 1189.3 >9 scans 29% TIC 8.9% 0.00121% 2509 1.0 43 5086 122110 122110 0-0 0.572 18.71 138.5 62 92 59 88 153 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1022 ?? Octanal 18.8254 1194.6 >12 scans 51% TIC 3.5% 0.00717% 2531 0.9 77 12772 722496 688117 1-0 0.746 12.96 19.8 63 64 65 79 110 1.9 0.000 5.870 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8283 1194.7 8.5 scans 24% 70 m/z 5.6% 0.00321% 2531 0.9 53 8111 323749 291622 1-2 11: 70 55 41 96 98 81 97 67 68 54 72 0.514 18.83 142.0 66 96 53 93 122 4.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7504 1233.6 11.1 scans 63% 119 m/z (97 79) 0.42% 0.0343% 2687 1.5 136 108436 3458477 3172513 3-2 12: 119 91 134 65 120 63 92 51 64 50 118 66 0.933 13.76 34.1 73 81 69 82 134 48.1 12.576 5.993 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8160 1236.4 10.8 scans 84% TIC 0.27% 0.0754% 2698 1.1 218 168258 0.0971% 7592044 6930188 9772387 0-4 0.975 19.81 168.9 77 97 93 100 144 6.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 8.5 scans 14% 57 m/z (97) 8.5% 0.00119% 2783 1.0 29 5361 120486 105450 1-3 1: 57 0.705 20.32 -0.2 80 90 64 84 170 4.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1034 ? Decanal 20.5232 1263.8 8.3 scans 66% 57 m/z (110) 2.1% 0.0201% 2818 1.1 116 20971 2029373 1761619 6-1 19: 57 41 55 70 68 82 71 56 44 83 69 112 81 42 45 67 96 88 84 0.928 20.57 -143.2 75 99 97 99 138 7.2 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5232 1263.8 8.3 scans 55% 57 m/z 2.1% 0.0150% 2818 1.1 106 20938 1515605 1315638 6-1 19: 57 41 55 70 68 82 71 56 44 83 69 112 81 42 45 67 96 88 84 0.813 20.56 185.1 75 100 84 98 128 10.3 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 20.7676 1271.1 7.8 scans 18% 57 m/z (83) 8.1% 0.00118% 2860 1.2 30 5612 118772 114928 5-0 2: 57 112 0.771 33.32 4.1 63 76 70 73 226 0.0 0.000 -12.551 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9453 1276.5 11.5 scans 36% 94 m/z (71) 0.77% 0.0167% 2890 1.5 93 58947 1687452 1511237 4-4 3: 94 138 66 0.815 20.98 191.5 73 99 88 99 152 3.8 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1472 1282.5 10.6 scans 11% 281 m/z (74) 1.7% 0.00590% 2924 1.8 55 25530 593968 569679 2-2 14: 281 282 283 267 191 265 249 207 251 133 193 179 172 165 0.712 12.25 129.4 72 97 67 96 281 40.8 54.471 8.896 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 21.9996 1308.1 8.2 scans 11% 175 m/z (99) 2.9% 0.00222% 3068 1.2 40 15289 223398 206665 5-2 9: 175 98 190 176 147 119 117 128 103 0.287 22.01 207.7 62 96 47 96 190 12.8 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8969 1335.0 7.9 scans 19% 109 m/z (91) 0.96% 0.0216% 3220 1.5 123 47520 2181104 1951770 2-8 3: 109 86 110 0.892 22.91 221.4 67 92 84 94 127 14.0 1.287 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 22.9955 1338.0 >22 scans 76% 60 m/z 0.26% 0.180% 3237 0.1 252 171494 18140729 17284389 0-7 18: 60 73 55 115 41 129 98 87 96 74 56 45 39 83 42 158 101 84 0.916 22.70 -137.3 72 93 85 96 158 19.0 0.000 0.299 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1016 ? Nicotine 22.9955 1338.0 >22 scans 80% 60 m/z (141) 0.26% 0.209% 3237 0.1 259 172276 21111971 20115373 0-7 18: 60 73 55 115 41 129 98 87 96 74 56 45 39 83 42 158 101 84 0.948 25.35 188.8 72 93 89 98 162 0.0 0.000 -2.359 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0894 1371.6 7.2 scans 76% 73 m/z 0.23% 0.0604% 3422 1.2 229 197419 6079480 5582761 2-4 20: 73 341 429 342 325 147 343 430 431 432 74 326 207 344 251 148 45 75 433 193 0.910 24.17 -152.2 80 99 88 99 429 69.9 9.359 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1006 ?? Tridecane 24.5421 1386.7 >7 scans 51% TIC 2.5% 0.00302% 3499 0.9 74 17758 304308 281943 0-1 0.909 23.86 22.7 69 73 80 73 184 0.0 0.000 0.680 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6732 1391.1 8.0 scans 63% 43 m/z 1.1% 0.0145% 3521 1.1 112 38948 1464935 1310425 1-9 20: 43 83 69 41 142 55 113 82 56 58 85 111 39 70 71 108 67 127 53 93 0.898 24.70 251.5 70 91 81 97 170 4.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1032 ?? Dodecane 25.1644 1407.5 10.7 scans 21% 70 m/z (133) 8.5% 0.00301% 3605 0.8 39 5372 303426 269596 1-2 11: 70 85 71 122 127 44 93 88 89 136 92 0.496 20.36 7.3 62 85 73 81 170 0.0 0.000 4.806 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4182 1416.0 15.6 scans 88% 84 m/z 0.076% 0.269% 3647 2.4 340 600288 27109905 25082947 2-1 20: 84 133 162 161 42 119 130 85 65 82 78 159 51 134 117 39 104 63 105 118 0.974 25.89 259.0 76 96 91 96 162 86.5 6.476 -0.474 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0091 1469.1 8.7 scans 41% 121 m/z (160) 5.8% 0.00932% 3917 0.8 80 7838 938784 901417 2-1 13: 121 96 136 161 95 137 107 93 69 179 67 176 105 0.887 27.02 295.7 64 89 82 90 208 7.3 0.835 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0794 1471.5 >7 scans 54% TIC 2.0% 0.00415% 3929 1.2 84 22463 418432 352056 1-1 0.890 27.12 296.6 76 97 85 96 355 16.9 4.064 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1008 ? Tetradecane 27.1668 1474.4 7.9 scans 58% 57 m/z 1.0% 0.0133% 3944 1.1 109 43787 0.0215% 1345253 1301231 2163814 1-0 20: 57 71 85 75 43 41 56 55 198 119 99 170 70 118 69 126 112 101 84 45 0.835 27.21 -1.4 76 78 72 92 198 12.8 1.377 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9720 1504.5 10.0 scans 80% 118 m/z 0.23% 0.0755% 4080 1.4 221 190951 7605843 7103743 1-2 20: 118 146 145 105 78 51 58 119 104 117 41 63 65 42 147 39 91 64 50 77 0.952 27.93 317.8 79 99 94 99 146 96.8 19.161 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6567 1530.2 7.6 scans 84% 43 m/z 0.10% 0.150% 4196 0.9 355 437005 15160972 13960506 2-10 20: 43 69 41 151 136 107 67 125 93 83 109 53 121 39 81 68 55 108 79 91 0.949 28.67 332.8 79 99 94 98 194 23.1 0.422 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0871 1546.4 7.4 scans 69% 71 m/z (160) 0.44% 0.0522% 4269 1.2 204 103805 0.0665% 5262046 5028274 6692726 1-0 20: 71 57 43 85 41 55 70 141 113 56 112 99 84 183 69 97 42 182 142 177 0.899 29.10 342.5 68 93 90 94 227 3.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5145 1562.5 6.9 scans 70% 73 m/z 0.18% 0.0910% 4341 1.0 284 246503 9161839 8719040 2-2 20: 73 281 147 327 282 415 341 503 283 163 221 399 328 504 148 74 416 329 325 417 0.887 29.61 -150.6 79 99 93 99 503 48.3 2.889 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6473 1567.5 8.3 scans 72% 177 m/z 0.11% 0.115% 4364 0.9 306 402815 11649090 11210288 1-1 20: 177 158 43 178 91 135 157 93 159 77 79 121 105 107 149 133 122 192 95 119 0.859 29.68 355.0 68 90 65 89 192 35.7 1.366 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7453 1571.2 8.0 scans 67% 123 m/z 0.12% 0.0570% 4380 1.1 214 360770 5742078 5182858 1-8 13: 123 135 124 107 95 125 79 109 81 53 165 122 175 0.902 29.77 357.2 79 99 90 98 193 17.5 0.665 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9354 1578.3 9.2 scans 71% 71 m/z (95) 0.37% 0.0727% 4413 0.8 209 121989 7323221 6749499 1-1 20: 71 85 57 43 99 113 127 55 69 84 70 155 41 56 126 83 169 72 42 170 0.986 29.94 361.9 77 99 98 100 254 5.8 0.077 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.3126 1592.5 7.8 scans 25% 57 m/z (95) 2.1% 0.00742% 4477 1.3 72 21044 746745 657649 1-2 19: 57 71 43 85 41 70 98 99 56 42 55 154 108 113 86 127 126 58 93 0.818 30.38 -2.4 79 94 82 89 212 10.9 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4921 1599.7 7.9 scans 70% 191 m/z (134) 0.16% 0.0506% 4507 1.2 196 272767 5095164 4624496 2-2 16: 191 206 192 74 163 175 115 60 88 73 107 207 161 147 193 149 0.979 30.50 374.9 78 99 96 99 206 53.0 7.352 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8050 1612.9 8.3 scans 42% 124 m/z (84) 1.3% 0.0151% 4560 1.0 106 35018 1525635 1444810 2-2 6: 124 137 180 168 54 181 0.849 30.81 383.5 71 94 89 96 180 26.4 6.145 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8693 1615.6 10.1 scans 46% 147 m/z (195) 1.0% 0.0208% 4571 0.9 111 43492 2101674 1895943 2-2 19: 147 161 162 133 77 148 63 74 189 105 91 163 66 134 145 51 50 103 149 0.867 30.88 -0.4 87 91 75 90 204 10.7 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1822 1628.7 9.5 scans 79% TIC 0.19% 0.119% 4624 0.9 292 237051 12062028 11039683 2-1 0.905 31.18 393.7 78 98 95 100 180 60.9 4.353 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5086 1642.5 >12 scans 46% TIC 0.67% 0.0282% 4679 1.1 143 67808 2845305 2745438 1-0 0.684 31.52 -0.2 87 92 78 91 166 25.8 3.237 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9154 1659.5 >8 scans 34% 71 m/z (202) 1.8% 0.0118% 4748 0.6 94 24315 1187942 1068850 3-0 17: 71 57 83 43 70 145 55 99 85 69 155 210 111 113 141 56 131 0.787 31.92 -0.2 68 81 78 81 219 6.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1102 ? UNK 31.99min 31.9933 1662.8 8.4 scans 77% 127 m/z 0.070% 0.175% 4761 0.9 365 648771 17684440 16260422 7-3 19: 127 85 75 129 74 128 97 59 98 43 84 126 55 45 41 101 42 79 58 0.896 31.99 415.6 79 100 92 99 129 86.7 5.652 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0925 1667.0 6.5 scans 38% 221 m/z 1.1% 0.0102% 4778 1.1 99 41518 1027276 920681 2-10 19: 221 73 147 222 207 295 341 355 297 281 223 296 342 148 325 208 356 357 282 0.841 32.08 0.6 95 96 76 95 355 18.7 3.585 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1124 ?? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1698 1670.2 9.0 scans 33% 109 m/z (157) 2.1% 0.0214% 4791 0.9 119 21573 2156820 1975269 1-2 14: 109 123 84 175 206 81 95 190 124 166 137 79 135 138 0.630 32.20 419.9 63 88 68 89 206 19.7 2.724 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2336 1672.9 9.4 scans 18% 57 m/z (157) 1.2% 0.00958% 4802 0.8 70 37337 964636 886757 1-1 7: 57 71 56 183 182 70 211 0.566 32.24 -0.2 70 80 38 74 226 5.6 0.639 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4402 1681.6 11.7 scans 43% 43 m/z (69) 2.0% 0.0147% 4837 0.7 95 22857 1488458 1392725 0-2 19: 43 55 196 41 95 97 198 86 169 131 70 183 84 110 168 123 67 96 77 0.847 32.44 -0.1 84 94 83 92 226 3.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6598 1690.8 7.9 scans 35% 79 m/z (163) 6.6% 0.00944% 4875 1.2 81 6904 950911 831471 1-4 20: 79 162 105 95 107 135 106 145 43 187 91 119 122 159 146 121 67 149 41 77 0.857 32.67 -0.7 87 93 82 92 220 4.3 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9254 1702.0 7.7 scans 68% 71 m/z 0.14% 0.0489% 4919 1.1 201 308189 4924301 4572331 7-2 13: 71 43 159 111 56 243 155 72 173 123 143 89 73 0.896 32.93 -0.3 94 95 88 98 243 30.5 2.293 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0854 1708.7 7.4 scans 41% 83 m/z (151) 5.3% 0.00734% 4946 0.8 79 8545 739406 739406 0-0 19: 83 55 97 57 111 179 69 56 84 70 41 43 82 85 126 96 125 42 68 0.830 33.09 0.0 83 92 91 93 224 2.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3038 1717.9 7.5 scans 74% 57 m/z (105) 0.56% 0.0343% 4983 1.0 165 80350 3455961 3170024 5-1 18: 57 71 43 85 41 55 99 56 70 98 226 113 58 69 42 84 127 112 0.954 33.37 -2.9 93 98 97 98 226 18.7 1.290 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1104 ? UNK 33.53min 33.5305 1723.1 8.8 scans 75% 127 m/z 0.14% 0.181% 5022 0.9 359 309994 18257608 17085019 2-5 15: 127 75 85 74 97 159 126 128 84 166 98 59 101 45 129 0.912 33.53 452.9 77 97 88 97 166 55.2 2.361 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8912 1728.2 7.4 scans 32% 71 m/z 2.1% 0.00598% 5082 1.0 82 21189 602587 577737 1-1 18: 71 85 57 43 70 197 99 127 41 55 196 141 56 97 124 69 72 168 0.714 33.90 -0.1 87 93 76 90 197 17.5 4.604 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.0937 1731.1 8.7 scans 69% 109 m/z (57) 0.60% 0.0724% 5117 1.0 218 75783 7296007 6530130 4-9 17: 109 95 121 105 191 107 135 77 119 93 220 137 79 81 97 123 192 0.946 34.14 451.9 77 99 95 99 220 31.7 2.117 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2755 1733.7 9.6 scans 24% 71 m/z (173) 1.5% 0.00849% 5147 1.2 72 29049 854905 791940 2-1 11: 71 59 72 44 211 210 184 98 39 125 127 0.704 34.27 0.1 61 66 19 80 211 11.2 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4154 1735.7 7.6 scans 77% TIC 0.16% 0.107% 5171 1.0 308 277249 10850301 10375218 1-1 0.951 34.39 452.7 80 99 95 99 415 36.8 1.429 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5482 1737.6 9.9 scans 29% 180 m/z (154) 2.6% 0.0215% 5194 0.8 120 16993 2166764 2159668 2-0 19: 180 163 125 196 82 43 71 55 83 72 126 197 124 97 58 127 56 92 111 0.857 34.61 451.3 64 90 76 94 6 0.0 0.000 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7236 1740.1 10.9 scans 83% TIC 0.093% 0.183% 5224 0.6 330 489088 18423966 16764201 2-3 0.950 34.79 451.1 79 99 93 99 199 93.9 8.080 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8965 1742.6 8.1 scans 25% 68 m/z (99) 2.7% 0.00954% 5253 1.2 82 16492 961081 840888 3-2 2: 68 224 0.884 34.90 -0.1 82 90 84 93 224 12.1 2.180 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6085 1752.8 7.6 scans 28% 83 m/z (73) 2.6% 0.0124% 5373 1.0 102 17318 0.0155% 1256805 1256805 1559959 0-0 20: 83 97 109 69 191 71 81 137 95 153 67 177 206 82 150 55 72 138 209 122 0.922 35.70 450.1 61 85 69 84 224 4.6 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9261 1757.3 >10 scans 43% TIC 1.3% 0.0192% 5427 1.0 141 34017 0.0373% 1941628 1883987 3753965 1-0 0.682 35.94 450.9 64 89 61 90 238 5.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5878 1766.8 6.7 scans 34% 221 m/z 1.0% 0.0141% 5540 1.0 116 45733 1424538 1339953 2-1 16: 221 73 147 295 281 296 223 341 355 327 74 325 329 370 343 298 0.804 36.58 450.3 76 97 79 96 369 20.3 3.040 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6764 1768.1 7.6 scans 26% 109 m/z (197) 2.5% 0.00792% 5554 1.0 80 18062 797272 725104 1-1 19: 109 135 123 177 205 124 107 91 159 110 94 221 149 81 77 95 213 67 121 0.861 36.70 449.6 72 97 78 95 220 30.9 14.770 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1947 1775.5 8.3 scans 51% 209 m/z 0.35% 0.0360% 5642 1.1 167 127448 3627446 3312509 2-2 19: 209 224 181 210 167 165 178 105 179 194 166 225 152 77 193 91 115 119 168 0.881 37.20 449.2 78 98 83 98 224 55.8 11.110 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3033 1777.0 8.3 scans 50% 71 m/z (91) 0.90% 0.0276% 5661 1.1 146 50564 0.0455% 2779423 2729939 4579234 1-0 16: 71 85 57 43 99 113 169 127 84 155 70 126 125 141 42 197 0.965 38.91 -23.0 77 82 90 81 254 1.9 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1142 ?? Widdrol hydroxyether 37.9468 1786.2 9.6 scans 38% 109 m/z (91) 2.9% 0.0215% 5769 0.9 115 15579 2166444 1970847 3-3 14: 109 177 95 137 87 107 81 123 192 121 136 149 94 135 0.855 37.98 447.6 67 91 76 95 238 16.9 2.173 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0654 1787.9 8.6 scans 56% 57 m/z 0.67% 0.0246% 5790 1.0 147 67410 2476315 2302050 2-2 20: 57 71 85 43 56 41 99 55 113 127 69 70 83 155 225 98 141 42 44 97 0.868 38.06 448.2 74 96 85 94 225 28.4 3.737 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.6380 1796.1 8.5 scans 73% TIC 0.23% 0.0727% 5887 1.3 244 191398 0.100% 7322200 7046226 10064250 1-0 0.949 38.59 448.0 80 99 93 99 429 71.5 8.558 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1865 1834.3 11.5 scans 96% 159 m/z 0.014% 3.49% 5980 0.3 1405 3107434 351296956 341135933 2-1 20: 159 161 105 119 120 91 81 69 41 132 93 160 55 146 145 272 131 107 121 133 0.998 39.14 477.6 81 100 100 100 272 173.9 1.531 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2673 1844.3 8.7 scans 52% 123 m/z (215) 0.74% 0.0343% 5994 1.2 154 61086 3457127 3236845 0-4 15: 123 82 95 96 81 57 278 43 67 124 97 79 109 137 279 0.941 41.03 458.0 66 92 90 91 278 23.9 2.387 -1.767 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1010 ?? Phytol 41.52min 39.2697 1844.6 9.6 scans 39% TIC 0.69% 0.0174% 5994 1.7 134 66184 1757558 1460818 0-2 0.715 41.52 450.7 66 88 63 86 278 24.4 3.323 -2.251 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4622 1868.5 8.4 scans 71% 74 m/z (148) 0.13% 0.140% 6027 1.0 317 332210 14144110 13582555 1-3 19: 74 87 143 43 75 213 55 256 225 57 59 101 83 88 199 129 97 157 171 0.978 39.45 507.0 65 85 87 89 256 47.6 2.254 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8323 1914.3 11.7 scans 94% 95 m/z 0.025% 2.72% 6089 0.5 1232 1829620 274192656 258783702 2-2 20: 95 68 82 123 69 57 81 55 83 67 43 97 41 71 109 96 124 111 79 110 0.998 39.94 545.2 80 100 100 100 278 71.8 0.340 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9220 1925.5 8.1 scans 56% 58 m/z (272) 0.57% 0.0577% 6104 1.3 205 79357 5807484 5181533 1-3 11: 58 43 59 71 109 110 95 124 250 113 165 0.962 39.88 557.2 72 96 96 98 250 22.3 1.187 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2615 1967.6 12.8 scans 66% 91 m/z (149) 0.029% 2.11% 6162 0.5 1023 1560473 213083778 202408371 2-2 20: 91 120 69 41 55 133 79 107 77 67 117 95 147 134 121 115 65 129 39 103 0.749 40.24 593.7 75 98 70 96 272 114.7 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3199 1974.8 8.5 scans 26% 149 m/z (281) 0.30% 0.0188% 6172 0.8 111 151805 1899797 1721148 5-1 5: 149 223 167 224 267 0.978 40.31 599.9 61 87 68 87 223 29.0 6.780 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1110 Phytol 40.6505 2015.8 >22 scans 91% TIC 0.012% 8.66% 6228 0.1 1735 3638650 872041165 831964448 0-10 0.999 40.66 -1.4 100 100 100 100 278 245.0 1.994 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1254 Phytol 41.0183 2061.4 14.3 scans 71% 81 m/z (161) 0.023% 2.89% 6290 0.3 1156 1949635 290945256 281332307 1-1 20: 81 123 69 83 79 97 109 124 110 53 137 56 94 125 138 39 84 126 66 65 0.737 40.87 18.7 94 97 76 96 278 214.1 0.000 0.151 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1092 ?? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 41.1062 2072.3 8.8 scans 38% 161 m/z (219) 0.52% 0.0572% 6305 1.0 200 86624 5762192 5330355 0-2 20: 161 188 272 105 91 162 119 189 273 133 117 201 159 69 41 93 79 160 92 187 0.934 42.21 666.4 67 90 86 90 272 46.3 5.363 -1.101 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3878 2107.2 11.4 scans 89% TIC 0.021% 2.15% 6353 0.4 1121 2093044 217181018 200599549 2-2 0.979 41.26 16.2 97 97 95 99 264 87.2 0.604 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7225 2132.4 >15 scans 39% 69 m/z 0.038% 1.60% 6409 0.2 1002 1199329 2.61% 161453716 161453716 262676921 0-0 20: 69 81 133 95 120 83 70 229 274 275 185 258 122 203 149 111 177 260 52 246 0.685 42.05 -18.2 84 83 78 85 272 297.9 0.000 -0.322 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.7515 2134.1 21.0 scans 82% 187 m/z 0.010% 6.10% 6414 0.3 1534 4375588 614237860 581417317 0-1 20: 187 272 119 160 93 188 161 131 67 133 117 134 121 146 94 120 82 132 173 201 0.958 41.76 736.4 80 100 96 100 272 447.0 8.490 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.8731 2140.9 9.7 scans 85% 189 m/z 0.031% 1.83% 6435 0.4 1101 1439552 184631301 174573704 1-1 20: 189 272 105 147 119 133 91 161 190 107 41 159 95 69 202 93 81 79 131 145 0.965 41.87 741.5 80 99 95 99 272 268.9 5.962 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.1387 2155.8 16.8 scans 87% 74 m/z 0.0081% 5.09% 6480 0.2 1478 5584548 512919560 504383128 0-1 20: 74 87 143 227 270 43 55 75 41 57 185 171 129 199 83 59 97 101 241 88 0.965 42.01 753.8 78 97 96 97 272 0.0 0.000 0.128 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3636 2168.4 7.6 scans 8.6% 73 m/z 0.65% 0.0215% 6518 1.0 132 69715 2168267 1956704 3-6 20: 73 281 221 355 341 503 429 275 356 207 282 206 430 504 283 505 261 222 357 295 0.698 42.37 759.4 69 94 67 95 503 26.3 3.993 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1090 ? UNK 42.45min 42.4681 2174.3 9.1 scans 80% TIC 0.018% 0.759% 6536 0.7 767 2438487 1.01% 76415140 73886982 101648924 0-1 0.927 42.45 763.7 79 97 98 100 272 108.7 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1260 Diterpene 42.4min 42.7031 2187.5 8.6 scans 77% 147 m/z (271) 0.32% 0.247% 6576 0.9 415 141160 24885564 22832954 1-2 20: 147 69 91 105 41 107 81 93 95 119 79 161 133 229 82 121 55 109 67 77 0.984 42.40 17.1 90 91 92 91 272 42.7 1.062 0.304 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 42.7361 2189.3 >14 scans 1.5% 113 m/z 3.0% 0.00320% 6579 1.6 49 15209 322861 320203 1-0 11: 113 155 189 111 217 76 169 211 86 168 278 0.020 43.15 -23.5 68 86 3 78 272 38.3 0.000 -0.418 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1112 Phyllocladene 43.2893 2220.4 13.1 scans 70% 187 m/z (289) 0.013% 2.59% 6675 0.3 1239 3385132 4.98% 261530555 258164024 501199643 1-0 20: 187 134 161 272 105 119 91 81 189 41 145 69 147 131 117 93 133 79 160 159 0.989 43.24 3.0 98 99 97 99 272 320.0 6.678 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.3631 2224.5 6.8 scans 52% 186 m/z 0.010% 0.765% 6687 0.8 902 4382549 0.988% 77007649 70424133 99434789 1-0 20: 186 270 157 129 144 143 128 199 171 141 142 185 127 156 172 200 155 228 153 213 0.764 43.31 796.9 78 100 84 99 270 191.8 4.521 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.7804 2248.0 >10 scans 43% 148 m/z (159 74) 0.54% 0.139% 6758 0.7 303 83496 13996862 13374673 2-0 18: 148 107 95 147 109 229 106 162 270 93 257 121 79 177 151 190 110 258 0.920 43.55 12.8 71 77 79 77 272 15.4 0.000 0.228 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1238 Trachylobane 43.8719 2253.1 9.6 scans 88% TIC 0.10% 0.786% 6773 0.7 725 436317 1.04% 79156312 74481762 104668199 0-3 0.973 44.15 -16.2 82 82 85 83 272 110.5 2.325 -0.282 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3005 2277.7 7.1 scans 12% 221 m/z (185) 1.9% 0.0107% 6846 1.1 95 23135 1080493 978004 2-4 12: 221 73 295 222 281 207 369 223 282 355 297 370 0.737 44.32 830.4 66 88 75 98 369 15.7 2.712 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1008 ?? Contamination 40.63min 44.3005 2277.7 7.1 scans 6.7% 221 m/z 1.9% 0.00509% 6846 1.1 70 23093 512759 464122 2-4 12: 221 73 295 222 281 207 369 223 282 355 297 370 0.494 40.63 897.6 64 95 56 92 369 15.7 5.120 3.667 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1234 ?? Thunbergol 45.1872 2328.7 8.8 scans 75% 43 m/z (98) 1.0% 0.0898% 6996 0.9 249 44241 9043909 8361536 3-1 20: 43 109 69 81 135 41 161 91 133 93 121 105 79 119 95 107 67 159 55 245 0.963 44.90 16.5 69 68 80 87 272 14.7 0.349 0.286 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.8053 2364.3 9.8 scans 87% 159 m/z (355) 0.13% 0.701% 7101 0.7 646 349397 70627634 66343939 2-1 20: 159 161 272 119 69 105 95 43 121 41 79 81 187 55 93 145 120 67 91 147 0.985 45.79 888.3 75 96 97 98 429 4.4 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.2344 2389.0 16.5 scans 87% 67 m/z 0.014% 4.73% 7174 0.2 1444 3154565 476387568 476387568 0-0 20: 67 95 55 41 94 77 121 149 109 59 82 292 53 39 150 261 147 133 106 117 0.952 46.13 5.8 94 93 94 98 292 124.4 0.742 0.100 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N406_R~1-N1018 ? Geranyl-linalool/geraniol 46.3253 2394.2 8.9 scans 75% 190 m/z (71) 0.10% 0.700% 7189 0.7 705 430014 70510611 66733683 1-1 14: 190 109 147 107 121 105 203 161 93 119 133 91 135 229 0.979 46.29 908.3 76 98 94 98 272 56.1 0.633 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7752 2420.1 7.6 scans 83% 74 m/z 0.072% 0.255% 7265 0.8 462 629333 25723891 23896162 2-2 20: 74 87 143 43 75 298 55 255 41 57 69 199 83 97 129 59 101 267 88 185 0.965 46.76 925.0 78 99 98 99 298 86.6 3.512 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4670 2517.5 8.5 scans 34% 95 m/z (189) 1.6% 0.00936% 7551 1.0 79 28586 942292 806377 2-3 12: 95 96 122 161 147 109 150 272 108 175 295 126 0.764 48.48 979.3 68 95 77 92 286 10.5 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9340 2544.4 8.0 scans 54% 73 m/z (117) 1.1% 0.0173% 7631 1.2 113 39107 1747803 1612456 2-5 20: 73 147 355 429 221 281 356 207 431 357 223 295 222 341 432 265 369 279 430 325 0.835 48.95 994.0 71 95 89 99 429 32.2 8.159 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 51.1383 2671.2 8.1 scans 28% 74 m/z (134) 4.9% 0.00321% 8004 1.2 48 9259 323334 286018 3-3 9: 74 87 283 143 185 75 88 295 227 0.691 50.36 1084.2 63 93 68 88 326 11.9 0.000 0.781 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6260 2871.9 9.1 scans 29% 73 m/z 4.4% 0.00288% 8595 1.5 45 10325 289831 258267 3-1 16: 73 281 147 355 222 356 430 341 295 429 369 327 504 431 283 208 0.532 45.81 1395.4 65 93 54 89 503 7.9 3.093 8.814 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 54.6277 2872.0 >14 scans 45% TIC 4.1% 0.00409% 8595 1.6 56 10902 411943 411943 0-0 0.730 51.86 1241.1 70 93 69 91 503 7.8 1.954 2.770 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0984 771.0 5.6 scans 87% TIC 0.044% 0.159% 36 1.9 281 915493 10954175 8217943 2-9 0.989 4.37 17.0 100 100 98 100 77 240.5 73.134 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5790 835.5 16.9 scans 76% 209 m/z 0.42% 0.0365% 456 4.0 101 96670 2512944 2120352 2-4 17: 209 210 147 179 192 211 88 115 134 105 89 75 149 117 176 56 59 0.818 6.53 -141.3 80 100 83 99 207 78.2 60.319 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6929 864.5 >11 scans 75% 69 m/z 1.5% 0.0291% 644 1.3 120 26989 0.0602% 2003924 1868755 4143932 3-0 17: 69 83 55 41 39 42 70 53 80 54 56 79 43 68 84 51 40 0.888 7.71 9.2 96 96 90 95 98 36.4 9.173 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 11.1322 954.1 15.2 scans 19% 41 m/z (45) 15% 0.00221% 1227 1.0 25 2664 152604 152604 0-0 5: 41 57 40 43 73 0.525 6.03 -7.5 62 71 63 70 102 0.0 0.000 5.099 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKSTART-N1002 ? Contamination 12.22min 12.7155 995.3 8.0 scans 63% 43 m/z (103) 0.28% 0.0877% 1495 1.5 199 143835 6039712 5352409 2-5 16: 43 41 69 71 55 99 67 39 68 83 53 126 111 265 56 42 0.774 12.22 49.0 77 84 21 99 281 68.5 11.888 0.495 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.1275 1006.3 17.3 scans 55% TIC 1.0% 0.00920% 1565 1.8 75 40586 0.0134% 633831 587404 922403 2-0 0.796 13.22 42.7 87 97 79 96 110 24.1 0.000 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1022 ? Octanal 13.3625 1012.6 8.2 scans 65% 43 m/z (103) 1.9% 0.0337% 1605 1.4 122 20882 2322587 2039004 2-5 20: 43 84 41 56 57 55 44 69 42 85 82 39 81 68 67 100 53 71 95 66 0.888 12.96 -162.2 77 98 96 100 110 14.2 1.355 0.407 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1016 Limonene 14.2763 1037.4 8.1 scans 86% 68 m/z 0.33% 0.100% 1760 1.2 223 122901 6911413 6386224 2-4 20: 68 93 67 79 94 136 121 92 107 91 53 77 39 41 81 80 95 65 108 105 0.953 13.89 62.1 87 97 93 99 136 45.2 4.115 0.384 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4499 1042.1 10.3 scans 94% 79 m/z 0.053% 0.629% 1789 1.3 477 767504 43338291 39885314 2-4 20: 79 108 107 77 51 91 78 50 80 89 90 65 109 63 39 53 52 74 105 62 0.994 14.11 63.1 90 100 100 100 108 210.3 19.416 0.341 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.7852 1051.2 9.6 scans 85% 91 m/z 0.13% 0.102% 1846 1.6 200 311116 7036117 6356664 2-4 20: 91 92 120 65 63 39 89 51 90 62 121 93 64 61 41 66 38 74 49 86 0.963 14.44 66.4 89 100 97 100 120 65.4 10.700 0.343 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4741 1069.8 12.2 scans 84% 105 m/z 0.088% 0.275% 1963 2.3 283 459612 18963692 17474909 2-1 20: 105 77 123 51 46 106 50 78 76 74 124 75 79 38 53 73 63 61 37 67 0.973 15.17 72.4 87 99 97 99 123 100.1 12.501 0.304 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN 98-86-2 ? Acetophenone 15.5597 1072.2 10.6 scans 17% 120 m/z (121) 1.3% 0.0182% 1977 1.8 82 31210 1254251 1185867 2-0 3: 120 125 140 0.960 15.29 -173.5 70 92 89 93 120 40.8 24.938 0.267 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1028 ?? p-Cymenene 16.4546 1096.4 9.1 scans 29% 115 m/z (124) 7.2% 0.00319% 2129 1.2 37 5658 220202 197479 0-4 8: 115 117 131 99 116 65 92 129 0.697 16.25 -178.2 69 97 72 96 132 18.3 24.831 0.201 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 16.5780 1099.8 9.8 scans 49% 95 m/z (99) 1.4% 0.0141% 2150 1.5 73 27823 976398 901332 2-2 13: 95 43 124 55 79 53 81 80 96 52 83 123 63 0.891 15.43 98.1 69 91 81 96 124 19.0 6.719 1.145 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1002 Undecane 16.8254 1110.1 9.7 scans 58% TIC 1.3% 0.0203% 2192 1.3 101 29669 1402630 1344965 1-1 0.721 16.59 10.1 87 95 89 97 156 12.1 1.436 0.238 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 16.9936 1117.2 8.4 scans 91% 57 m/z (139) 0.16% 0.300% 2220 1.3 366 250805 20667666 18659449 6-4 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 71 54 83 0.995 16.82 -174.2 78 99 99 99 124 23.2 0.404 0.179 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1016 ? Nonanal 16.9936 1117.2 8.4 scans 88% 57 m/z 0.16% 0.273% 2220 1.3 360 252559 18803907 16976786 6-4 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 71 54 83 0.977 16.82 94.8 79 98 97 98 124 22.1 0.000 0.179 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1807 1125.1 >7 scans 56% TIC 1.3% 0.00931% 2252 0.7 95 30158 641068 641068 0-0 0.864 16.97 100.4 75 96 89 98 128 22.9 5.822 0.213 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2315 1169.5 9.1 scans 62% 73 m/z 0.62% 0.0325% 2430 1.5 123 65276 2242449 2115940 1-2 20: 73 355 267 356 268 269 253 177 323 250 74 357 270 162 155 325 163 339 59 179 0.856 18.13 -162.2 79 99 81 98 355 56.0 20.592 0.101 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8691 1196.4 9.7 scans 43% 82 m/z (152) 6.7% 0.00741% 2538 0.7 57 6086 510527 471202 2-1 13: 82 111 97 125 81 53 80 67 110 107 108 124 126 0.848 18.71 145.6 68 96 84 95 153 2.0 0.000 0.163 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.9736 1200.8 9.0 scans 50% 70 m/z 2.1% 0.0201% 2555 1.1 101 19386 1390109 1295514 2-3 20: 70 41 83 55 43 69 57 84 39 96 56 42 98 67 97 68 72 93 54 53 0.795 18.83 148.1 73 98 86 98 122 4.5 0.000 0.144 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.9919 1201.6 27.9 scans 13% 77 m/z (135) 4.6% 0.0100% 2559 1.5 44 8859 691454 629076 2-1 7: 77 122 74 76 73 45 106 0.191 20.03 130.9 61 92 67 93 122 23.7 29.176 -1.037 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.8898 1239.5 12.2 scans 48% 119 m/z (97) 0.14% 0.158% 2711 1.3 231 285895 10915031 10328747 2-4 13: 119 91 134 65 120 92 129 135 51 64 50 78 52 0.823 13.76 40.0 76 83 74 85 134 77.2 11.116 6.133 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9163 1240.6 9.9 scans 54% 57 m/z 0.13% 0.183% 2715 1.4 274 308223 12617790 11495504 9-3 20: 57 45 75 41 87 89 56 100 101 59 43 72 85 60 73 44 58 71 62 55 0.882 19.81 173.1 76 98 91 98 144 6.8 0.000 0.102 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4270 1260.9 10.0 scans 37% 71 m/z (152) 3.3% 0.00821% 2802 1.0 59 12356 565336 526264 4-2 11: 71 97 85 170 56 99 126 98 125 112 86 0.779 20.32 3.2 86 98 86 95 170 7.3 0.000 0.107 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1034 ? Decanal 20.6235 1266.8 8.1 scans 88% 57 m/z 0.47% 0.119% 2835 1.1 246 86582 8223752 7532698 5-2 20: 57 41 43 55 71 70 82 68 44 56 83 81 69 67 112 95 96 42 84 110 0.982 20.57 -140.2 71 88 93 99 138 12.8 0.273 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1785 1283.5 7.7 scans 24% 281 m/z 1.5% 0.00679% 2929 1.8 56 25806 467456 395587 3-4 13: 281 282 283 207 193 265 284 266 208 191 179 249 126 0.698 12.25 130.4 75 97 66 96 281 40.4 52.677 8.927 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 22.7824 1331.6 10.6 scans 63% 73 m/z (137) 1.0% 0.0426% 3201 0.4 124 40375 2936186 2638710 2-4 19: 73 60 57 129 41 55 115 43 83 98 61 117 74 56 87 42 101 130 85 0.921 22.70 -143.7 74 96 94 98 158 7.1 0.324 0.086 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8975 1365.2 >9 scans 35% TIC 1.9% 0.00724% 3390 0.0 73 21327 0.0149% 499025 461790 1025658 3-0 0.680 23.86 1.2 85 88 67 89 184 9.1 1.565 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1295 1372.9 7.0 scans 70% 73 m/z 0.33% 0.0548% 3429 1.1 180 122209 3776181 3622080 1-4 20: 73 341 429 342 325 343 147 430 431 326 74 344 327 207 432 75 45 148 311 345 0.916 24.17 -150.9 79 99 89 98 429 55.5 9.519 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.5823 1388.1 8.0 scans 43% 71 m/z 1.2% 0.0136% 3506 1.6 85 32265 937492 890529 1-1 15: 71 57 85 43 127 70 84 113 126 112 169 58 72 99 86 0.773 20.36 -12.1 64 71 62 69 170 4.3 0.000 4.224 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5847 1388.1 15.4 scans 60% TIC 1.2% 0.0157% 3506 1.4 101 33918 0.0205% 1082729 1025260 1411140 1-0 0.859 24.54 250.8 77 99 86 97 169 12.0 0.000 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5044 1418.9 16.1 scans 56% 84 m/z 0.37% 0.0638% 3662 2.4 132 109055 4395909 4031660 2-1 20: 84 133 162 42 119 173 144 118 85 82 163 104 117 55 112 65 164 134 41 39 0.825 25.89 261.9 72 93 75 92 162 35.8 7.352 -0.388 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1112 ? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0286 1469.8 8.9 scans 52% 81 m/z (151) 3.1% 0.0212% 3921 1.0 97 13059 1463020 1355929 1-4 18: 81 179 93 120 91 109 95 137 79 107 123 77 135 124 208 133 161 53 0.857 27.02 296.4 72 98 86 96 208 5.5 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1042 1472.3 6.7 scans 36% 221 m/z 2.9% 0.00532% 3933 0.9 58 13621 366700 347843 1-1 18: 221 73 147 281 222 149 355 267 223 282 148 356 269 283 205 444 191 207 0.786 27.12 297.4 73 94 74 93 355 13.0 4.938 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1892 1475.1 8.1 scans 76% 57 m/z (115) 0.57% 0.0382% 3947 1.0 140 70888 0.0676% 2634946 2454736 4653319 2-0 19: 57 71 85 43 41 56 55 99 70 98 113 84 198 127 141 112 126 69 83 0.967 27.21 -0.7 95 97 94 97 198 17.1 1.494 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1032 ? Myosmine 28.0263 1506.5 11.8 scans 70% 118 m/z (83) 0.64% 0.0533% 4089 2.1 127 63028 3674268 3430658 2-1 13: 118 146 145 105 78 117 51 62 104 63 90 64 106 0.825 27.93 319.8 75 99 88 98 146 52.9 17.493 0.095 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6762 1531.0 8.0 scans 91% TIC 0.047% 0.506% 4199 0.8 502 854634 34855233 30957314 4-12 0.980 28.67 333.6 80 99 98 99 194 31.9 0.405 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0989 1546.9 7.6 scans 77% 71 m/z (179) 0.24% 0.115% 4271 1.2 248 167259 0.155% 7947348 7561042 10669592 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 183 84 97 69 42 140 58 155 0.951 29.10 343.0 67 91 92 90 227 4.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5239 1562.8 7.1 scans 49% 73 m/z 0.35% 0.0573% 4343 0.9 183 114874 3950158 3620259 2-2 20: 73 281 147 327 282 415 163 341 503 399 400 283 328 221 148 504 416 329 74 343 0.810 29.61 -150.3 77 99 85 98 503 33.3 3.302 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6615 1568.0 8.1 scans 79% 177 m/z (191) 0.079% 0.235% 4366 0.9 342 512144 16189578 15010398 2-1 20: 177 43 178 91 135 77 93 105 121 79 133 107 149 159 122 41 95 192 119 109 0.875 29.68 355.5 60 85 66 84 192 40.5 1.409 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7624 1571.8 8.7 scans 71% TIC 0.11% 0.0698% 4383 1.4 218 367230 0.0911% 4810695 4810695 6270967 0-0 0.941 29.77 357.8 77 98 93 97 193 17.9 0.670 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8469 1575.0 8.3 scans 50% 105 m/z (85) 0.95% 0.0296% 4398 1.1 121 42975 2043883 1935583 1-1 19: 105 161 91 93 121 133 204 119 106 108 77 94 79 189 80 148 167 65 124 0.917 29.85 359.9 74 98 92 98 204 18.8 2.432 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9478 1578.8 9.1 scans 57% TIC 0.22% 0.0914% 4415 0.7 216 180762 6292883 5810166 1-1 0.730 29.94 362.4 77 98 72 97 254 6.2 0.082 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.3250 1592.9 8.6 scans 48% 57 m/z (91 153) 0.92% 0.0259% 4479 1.2 114 44152 0.0355% 1787263 1765843 2443681 1-0 17: 57 71 43 85 41 212 56 55 99 70 113 97 98 84 42 94 83 0.916 30.38 -2.0 88 97 92 96 212 14.2 1.551 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4921 1599.7 7.8 scans 71% 191 m/z 0.11% 0.0857% 4507 1.1 218 368260 5899492 5466380 2-7 18: 191 206 192 57 163 74 175 91 107 115 207 161 77 128 147 134 73 193 0.920 30.50 374.9 79 99 90 99 206 61.1 7.816 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8168 1613.4 8.8 scans 38% 124 m/z (71) 1.1% 0.0212% 4562 1.0 97 35175 1463411 1320134 2-7 9: 124 137 180 125 181 54 96 168 138 0.922 30.81 384.0 75 98 92 98 180 25.9 7.068 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8735 1615.8 11.2 scans 59% TIC 0.41% 0.0390% 4571 0.9 148 98521 0.0591% 2690589 2467908 4068212 0-2 0.812 30.88 -0.2 81 83 57 82 204 2.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1899 1629.1 9.2 scans 71% 111 m/z 0.17% 0.167% 4625 0.9 281 230474 11508430 10709915 2-1 20: 111 109 137 43 67 180 110 124 41 71 152 95 85 57 69 79 81 77 55 39 0.855 31.18 394.1 78 98 95 100 180 59.0 4.412 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5140 1642.7 9.9 scans 68% 43 m/z (113) 0.71% 0.0458% 4680 1.2 136 57069 3155445 2928231 1-1 20: 43 85 98 127 71 57 111 166 55 83 41 151 82 67 39 99 69 84 109 68 0.933 31.52 -0.0 91 95 93 95 166 23.1 2.891 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7855 1654.1 8.5 scans 5.7% 193 m/z (57 165) 6.2% 0.00143% 4726 0.9 25 6554 98458 81263 2-9 6: 193 208 197 133 194 147 0.431 31.80 -0.4 64 80 24 76 208 8.1 10.398 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9207 1659.8 8.3 scans 44% 71 m/z (143) 1.4% 0.0243% 4749 0.7 105 27443 1673847 1578185 1-1 18: 71 57 85 55 83 43 82 99 113 69 155 86 169 112 56 126 111 210 0.891 31.92 0.1 71 80 86 84 219 3.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1102 ? UNK 31.99min 31.9974 1663.0 20.1 scans 53% TIC 0.33% 0.0230% 4762 1.4 142 122059 0.0482% 1585388 1585388 3317899 0-0 0.844 31.99 415.8 73 95 75 94 129 36.6 6.657 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.0458 1665.0 10.1 scans 32% 57 m/z (221) 3.0% 0.0271% 4770 0.7 101 13365 1865467 1745722 1-1 20: 57 137 43 71 177 69 70 123 81 136 109 55 72 111 121 93 163 182 192 80 0.505 32.12 416.0 61 93 35 93 192 15.3 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0866 1666.7 6.8 scans 33% 221 m/z 0.95% 0.0162% 4777 1.0 101 42680 1121790 1076419 1-2 18: 221 73 147 295 222 207 356 296 223 341 325 342 208 355 267 148 297 327 0.876 32.08 0.3 95 96 80 95 355 18.7 3.419 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1722 1670.3 17.1 scans 35% TIC 1.4% 0.0160% 4791 1.6 109 28254 0.0231% 1102793 1038550 1590113 1-0 0.548 32.20 420.0 70 94 51 91 206 20.8 3.684 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.8 scans 56% 57 m/z (196) 0.73% 0.0455% 4802 1.2 128 55571 3132414 2724401 4-2 12: 57 71 85 183 99 56 182 113 211 42 226 141 0.884 32.24 -0.2 84 90 83 88 226 7.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4414 1681.7 11.3 scans 50% 57 m/z (160) 1.3% 0.0308% 4837 0.9 109 30614 2123509 2010953 1-1 19: 57 85 99 43 71 56 197 107 82 196 97 42 55 110 127 67 68 109 128 0.891 32.44 -0.0 77 83 84 84 226 3.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6592 1690.8 8.7 scans 37% 131 m/z (83) 7.0% 0.0139% 4874 1.7 76 5810 959051 836037 0-4 15: 131 164 147 134 93 146 149 92 117 145 160 177 128 104 58 0.752 32.67 -0.7 89 96 71 94 220 5.4 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8646 1699.4 8.3 scans 17% 70 m/z (149) 2.1% 0.00961% 4909 1.3 67 19080 0.0139% 661778 661778 956821 0-0 5: 70 195 216 52 167 0.657 32.87 -0.1 65 79 64 78 186 2.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.9 scans 60% 71 m/z 0.089% 0.115% 4920 1.0 248 458403 7937048 7432439 7-2 14: 71 43 41 111 159 56 243 72 155 173 83 143 98 89 0.865 32.93 -0.1 91 92 85 98 243 36.3 2.149 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0807 1708.5 7.6 scans 51% 83 m/z (153) 3.4% 0.0175% 4946 1.2 94 11999 1206439 1074908 1-2 20: 83 97 69 55 56 41 43 84 68 85 82 124 42 54 112 140 96 99 125 110 0.945 33.09 -0.2 90 96 95 96 224 5.7 0.366 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.5 scans 72% 57 m/z 0.36% 0.0577% 4984 0.8 184 111933 0.0607% 3974116 3415502 4178350 6-2 20: 57 71 43 85 41 55 99 56 70 69 113 84 226 42 98 83 112 127 126 141 0.933 33.37 -2.7 97 97 91 96 226 21.1 1.324 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1104 ? UNK 33.53min 33.5335 1723.1 9.2 scans 49% 75 m/z (69) 0.68% 0.0596% 5022 1.2 160 59884 4108360 3830082 2-4 8: 75 127 74 159 128 101 59 45 0.955 33.53 452.9 73 96 92 97 166 23.7 2.178 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.4 scans 57% 71 m/z (233) 1.5% 0.0199% 5083 0.9 103 26177 1371514 1287539 1-1 18: 71 43 57 85 70 225 197 41 55 99 127 113 196 56 168 141 42 153 0.908 33.90 -0.1 90 96 94 98 197 18.5 3.211 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.0955 1731.1 8.7 scans 62% 109 m/z (57) 0.69% 0.0818% 5117 1.3 185 58453 5633279 4951766 6-4 19: 109 95 121 107 191 81 91 119 135 77 93 220 137 123 79 192 97 108 67 0.932 34.14 451.9 77 100 93 99 220 27.2 2.169 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2602 1733.5 >10 scans 19% 211 m/z 2.2% 0.00428% 5145 1.4 51 17776 294791 267632 0-2 11: 211 85 169 99 184 98 112 183 155 196 127 0.581 34.27 -0.1 81 85 46 82 211 11.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4007 1735.5 7.3 scans 57% 73 m/z 0.40% 0.0532% 5169 0.9 175 100711 3662207 3422712 2-2 20: 73 355 147 221 281 356 401 357 282 222 403 415 327 74 267 283 148 207 223 358 0.920 34.39 452.5 78 98 88 98 415 21.6 1.519 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1134 ?? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4249 1735.8 8.9 scans 37% 136 m/z (73) 1.6% 0.0354% 5173 1.4 124 24925 2438938 2196453 2-1 16: 136 69 109 121 79 56 70 53 131 95 135 93 67 105 81 82 0.911 34.50 451.2 62 87 80 90 218 0.0 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5489 1737.6 8.7 scans 47% 123 m/z (108) 2.1% 0.0347% 5194 1.1 127 18852 2392965 2210131 1-1 18: 123 69 163 125 196 82 95 67 109 83 140 58 122 138 68 96 124 72 0.874 34.61 451.3 71 94 91 98 6 0.0 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7230 1740.1 10.2 scans 77% 91 m/z 0.10% 0.213% 5223 0.8 292 408337 14712831 13307025 3-6 20: 91 155 199 90 65 184 92 44 137 63 106 77 89 39 200 64 120 156 51 50 0.937 34.79 451.1 79 99 91 98 199 85.0 8.460 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 8.1 scans 42% 68 m/z (71) 1.8% 0.0224% 5253 1.2 106 21546 1546522 1473390 2-3 1: 68 0.904 34.90 -0.0 84 90 86 97 224 12.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1042 ?? Phytol 35.3446 1749.0 8.7 scans 39% TIC 0.48% 0.0480% 5329 0.8 158 84200 3305976 2880916 3-2 0.509 35.35 451.6 69 98 54 93 196 17.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5796 1766.7 6.9 scans 38% 221 m/z 0.76% 0.0261% 5538 1.0 127 53346 1800203 1705853 7-1 20: 221 73 147 295 207 281 222 223 369 355 341 209 297 296 148 327 74 429 370 283 0.821 36.58 450.2 77 98 82 97 369 21.3 2.845 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6805 1768.1 8.0 scans 24% 220 m/z (212) 2.4% 0.0101% 5555 0.9 72 16721 698188 654950 0-1 10: 220 109 124 135 123 205 137 222 177 136 0.820 36.70 449.6 71 96 68 94 220 29.2 16.323 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2024 1775.6 8.5 scans 85% TIC 0.046% 0.417% 5644 0.8 462 880136 28732926 26433508 3-1 0.963 37.20 449.3 80 99 96 99 224 145.1 9.838 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN HCMIX_~1-N1016 Octadecane 37.2992 1777.0 7.3 scans 46% 71 m/z (168) 0.93% 0.0322% 5660 1.1 135 43690 0.0394% 2222136 2085527 2712141 1-3 20: 71 85 57 43 99 127 113 56 84 55 41 70 155 72 69 169 97 126 83 154 0.975 38.91 -23.0 84 87 92 87 254 4.0 0.086 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N407_R~1-N1142 ?? Widdrol hydroxyether 37.9486 1786.2 9.0 scans 33% 177 m/z (59) 3.5% 0.0207% 5770 0.8 95 11543 1427976 1262117 2-2 11: 177 109 149 107 87 123 223 122 161 137 238 0.869 37.98 447.6 64 89 71 93 238 14.6 2.396 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0595 1787.8 8.3 scans 53% 57 m/z 0.61% 0.0319% 5789 0.9 141 66407 2202697 2056150 2-1 20: 57 71 85 43 56 225 41 99 55 224 127 113 69 98 155 226 97 126 239 70 0.843 38.06 448.1 74 96 82 94 225 28.3 4.053 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6333 1796.0 7.6 scans 43% 73 m/z 0.59% 0.0320% 5886 1.0 133 68718 2206717 2122583 1-3 20: 73 429 147 355 221 281 430 341 431 207 356 327 265 358 401 223 357 459 432 342 0.841 38.59 447.9 77 98 80 97 429 42.0 9.953 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1570 1830.6 9.4 scans 97% 105 m/z 0.018% 3.00% 5975 0.5 1161 2214923 207146082 200725501 3-1 20: 105 120 91 41 93 160 55 272 146 107 121 133 79 77 117 106 95 92 115 108 0.997 39.14 473.9 81 100 100 100 272 138.4 1.422 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2485 1842.0 10.8 scans 11% 80 m/z 2.0% 0.00605% 5990 3.6 60 19498 416910 390005 1-2 11: 80 72 93 58 152 249 190 151 165 54 171 0.163 41.03 455.7 67 92 18 89 278 21.2 0.000 -1.786 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1010 ?? Phytol 41.52min 39.2650 1844.0 9.7 scans 54% 123 m/z (270) 0.66% 0.0520% 5993 1.4 147 61820 3579482 3329789 1-3 13: 123 82 95 96 81 67 43 124 110 79 109 53 279 0.948 41.52 450.1 67 91 88 90 278 23.8 2.601 -2.256 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4551 1867.6 9.6 scans 36% 74 m/z (148) 1.4% 0.0318% 6025 1.5 114 28280 2191609 2028614 3-3 9: 74 87 75 59 185 256 101 73 260 0.893 39.45 506.1 67 91 83 98 256 14.2 1.537 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8152 1912.2 >8 scans 6.8% 119 m/z 0.14% 0.203% 6087 0.1 348 288835 13994666 12348078 2-0 10: 119 222 134 190 161 131 147 59 132 211 0.120 40.66 531.7 63 87 14 85 278 78.0 5.037 -0.847 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.9693 1931.3 >22 scans 95% 95 m/z 0.011% 12.6% 6112 0.1 1686 3434983 872790690 842817990 0-5 20: 95 68 123 67 69 81 57 83 97 96 124 109 71 94 85 70 138 93 179 208 0.999 39.94 562.2 81 100 100 100 278 117.4 0.485 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1032 ?? Hexahydrofarnesyl acetone 40.0006 1935.2 >3 scans 49% TIC 0.25% 0.0397% 6118 5.3 246 158674 2739517 2603825 0-1 0.789 39.88 566.9 67 91 77 90 250 27.5 1.243 0.118 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 40.0023 1935.4 >4 scans 32% 58 m/z (131) 0.34% 0.0435% 6118 2.0 199 116809 2998382 2900778 0-1 14: 58 59 43 250 71 109 110 85 165 210 113 253 225 140 0.834 39.98 565.7 66 90 82 95 268 9.6 0.231 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2556 1966.8 10.9 scans 91% 159 m/z (239) 0.028% 2.52% 6161 0.8 960 1438531 173593473 161364836 3-2 20: 159 119 105 69 41 93 81 132 160 145 131 146 133 77 107 67 187 106 117 95 0.965 40.24 592.9 78 100 97 99 272 110.1 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3477 1978.2 7.6 scans 25% 149 m/z 0.25% 0.0220% 6176 0.9 112 160577 1517997 1359338 1-2 9: 149 150 223 76 104 167 205 50 206 0.933 40.31 603.3 69 92 68 91 223 26.3 5.526 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1110 Phytol 40.6151 2011.4 >22 scans 92% 81 m/z (272) 0.011% 12.2% 6222 0.1 1654 3460575 845178576 833248814 0-2 20: 81 95 123 68 79 124 43 57 67 69 55 83 109 97 41 96 71 111 110 137 0.997 40.66 -5.8 99 100 100 100 278 233.2 1.988 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1254 Phytol 40.9545 2053.5 10.7 scans 60% 82 m/z (182) 0.015% 2.58% 6279 0.6 996 2585948 178085776 165452559 2-2 20: 82 95 57 43 67 96 55 278 41 71 85 93 77 91 107 80 279 179 39 193 0.726 40.87 10.8 92 97 68 97 278 172.1 2.987 0.088 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0602 2066.6 >5 scans 14% TIC 0.76% 0.00236% 6297 1.5 97 53454 0.0190% 162461 162461 1307885 0-0 0.485 41.00 680.8 72 98 43 96 262 19.6 4.105 0.059 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3105 2097.6 8.5 scans 60% 79 m/z (188) 0.70% 0.109% 6340 0.9 222 57899 7518102 6761518 3-0 18: 79 191 95 67 81 80 41 121 55 91 108 107 77 94 135 82 123 136 0.920 41.26 6.6 75 76 85 94 264 12.4 0.000 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLANKB1-N1012 ?? Contamination 41.49min 41.4776 2118.3 9.1 scans 16% TIC 0.64% 0.0507% 6368 0.7 164 63128 3491479 3298784 2-1 0.253 41.49 -78.3 64 84 35 81 276 13.5 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.6960 2131.0 15.4 scans 87% 187 m/z 0.011% 6.59% 6405 0.2 1393 3526151 454228261 445099231 0-1 20: 187 159 161 145 131 117 132 173 118 115 158 128 143 274 130 144 116 52 216 175 0.928 41.76 733.3 80 99 94 99 272 386.5 7.695 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.8253 2138.2 9.1 scans 85% TIC 0.050% 1.41% 6427 0.7 815 810778 97179816 90657021 1-3 0.921 41.87 738.8 80 100 93 99 272 194.1 5.669 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.9687 2146.3 10.9 scans 43% 105 m/z (161) 0.85% 0.105% 6451 1.1 202 48032 7283166 6785246 1-1 20: 105 120 134 136 147 81 148 229 257 159 146 203 201 188 175 173 131 117 174 258 0.908 42.05 -4.3 75 81 72 79 272 6.2 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0301 2149.7 8.8 scans 85% TIC 0.029% 0.876% 6461 0.7 632 1365393 1.12% 60309561 54748831 77096407 3-0 0.950 42.01 747.7 77 96 92 96 272 0.0 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1092 ?? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 42.0956 2153.4 8.3 scans 51% 161 m/z 0.13% 0.160% 6472 0.9 311 301715 11052621 9960160 2-1 18: 161 272 105 91 188 119 162 133 187 81 189 79 201 117 93 273 77 120 0.900 42.21 747.5 69 90 67 89 272 80.8 6.760 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3530 2167.8 7.6 scans 6.3% 73 m/z (189) 1.1% 0.0202% 6516 1.1 102 34668 1391379 1294142 2-4 19: 73 281 221 429 355 503 341 207 222 415 295 342 505 461 463 327 417 431 223 0.711 42.37 758.8 67 96 83 96 503 18.8 3.362 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1090 ? UNK 42.45min 42.4298 2172.1 15.2 scans 78% TIC 0.032% 0.579% 6529 0.8 542 1267873 0.822% 39888030 36522921 56583256 0-9 0.937 42.45 761.5 79 99 98 100 272 67.8 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6724 2185.8 9.0 scans 58% 147 m/z 0.84% 0.0921% 6570 1.2 221 48400 6342106 5818885 0-3 20: 147 69 105 91 41 81 119 79 107 93 95 229 161 133 82 121 109 67 55 77 0.865 42.40 15.4 88 89 79 88 272 24.1 0.000 0.273 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1112 Phyllocladene 43.2332 2217.2 10.0 scans 78% 187 m/z (289) 0.016% 2.27% 6665 0.5 1052 2418823 3.98% 156791518 156513015 273967591 1-0 20: 187 134 161 272 105 119 91 162 41 81 159 189 145 69 273 147 93 131 117 160 0.998 43.24 -0.2 99 100 100 100 272 256.9 5.968 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.3105 2221.6 7.7 scans 49% 159 m/z 0.017% 0.531% 6678 0.9 604 2393064 0.750% 36551926 36551926 51627059 0-0 20: 159 186 160 270 157 129 144 128 143 131 199 158 115 142 171 187 141 271 130 185 0.790 43.31 794.0 78 98 78 98 270 127.7 4.466 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1238 Trachylobane 43.8395 2251.3 8.8 scans 66% 135 m/z 0.21% 0.432% 6768 0.6 415 189965 29781984 27153529 2-5 19: 135 107 105 93 69 41 119 91 161 81 272 121 136 79 147 95 187 133 77 0.791 44.15 -18.0 81 82 70 81 272 71.3 2.951 -0.315 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2905 2277.1 7.2 scans 7.9% 73 m/z 2.9% 0.00563% 6845 1.2 61 13966 387637 371716 1-1 17: 73 222 281 221 129 295 226 267 111 223 265 276 370 74 282 139 355 0.422 44.32 829.8 65 99 73 97 369 13.3 4.860 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1636 2327.3 9.1 scans 42% TIC 1.6% 0.0388% 6992 1.1 144 24341 2674798 2487696 2-1 0.583 44.90 15.1 81 89 53 85 272 11.9 0.000 0.263 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.7822 2362.9 9.3 scans 83% TIC 0.21% 0.398% 7097 0.8 426 190268 27425751 25853906 2-1 0.931 45.79 886.9 77 98 94 98 429 3.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1022 2381.4 8.0 scans 74% TIC 0.18% 0.198% 7151 1.1 343 215873 0.226% 13669698 12619360 15556954 1-0 0.903 46.13 -1.8 94 97 90 97 292 25.9 0.573 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN N406_R~1-N1018 ? Geranyl-linalool/geraniol 46.2858 2391.9 8.5 scans 86% 69 m/z 0.22% 0.382% 7182 0.9 447 183887 26361289 25010727 2-1 20: 69 190 95 109 81 121 41 147 107 105 43 203 93 161 119 79 55 67 91 133 0.965 46.29 906.0 79 99 96 99 272 35.1 0.615 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7575 2419.1 8.0 scans 61% 74 m/z (186) 0.70% 0.0351% 7262 1.0 132 57753 2418126 2223496 4-3 16: 74 87 75 143 43 298 55 256 83 199 255 129 88 59 101 185 0.942 46.76 924.0 74 98 93 97 298 24.6 3.477 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4989 2461.8 7.9 scans 64% 138 m/z (356) 0.98% 0.0288% 7388 1.2 121 41485 1983792 1827257 2-2 20: 138 120 121 57 139 43 55 70 71 41 306 92 69 111 56 65 83 84 99 98 0.942 47.50 949.0 77 100 95 99 168 14.8 1.501 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9340 2544.4 7.7 scans 49% 73 m/z (106) 2.1% 0.0104% 7631 0.9 73 19308 721203 666419 2-6 19: 73 147 221 281 429 430 356 295 341 222 207 431 282 283 208 296 432 327 148 0.752 48.95 994.0 71 99 79 98 429 21.7 8.923 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3473 2625.7 8.5 scans 47% 74 m/z 1.7% 0.0111% 7870 1.2 76 22891 766213 704063 3-4 18: 74 87 43 326 75 143 55 69 97 101 129 41 84 233 88 255 241 199 0.706 50.36 1038.7 65 91 67 89 326 17.6 5.367 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8438 2711.7 7.6 scans 42% 73 m/z 2.4% 0.00704% 8124 1.2 60 16353 484848 446538 1-5 19: 73 147 429 281 355 357 356 295 430 222 205 341 431 503 223 74 282 145 369 0.608 51.86 1080.8 73 97 60 93 503 10.4 2.935 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8964 3060.0 12.0 scans 38% 429 m/z (295 207) 5.8% 0.00520% 9149 1.2 41 6970 358234 332171 1-2 11: 429 148 281 341 356 222 147 221 431 357 149 0.625 45.81 1583.5 62 94 66 90 503 5.8 0.000 12.084 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0691 770.2 11.9 scans 74% 77 m/z (74) 0.11% 0.128% 31 3.2 168 315288 6039856 5609077 1-3 17: 77 45 78 76 62 79 59 98 47 75 61 92 46 56 53 50 54 0.921 4.37 16.2 98 99 98 100 77 142.2 71.705 -0.302 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.2137 826.0 9.9 scans 55% 57 m/z (102) 0.88% 0.0268% 394 0.4 79 41171 1258051 1094693 1-7 13: 57 41 39 59 45 58 85 69 40 53 38 86 37 0.790 6.03 -135.6 62 89 85 89 102 3.0 0.000 0.181 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5945 835.9 16.5 scans 69% 207 m/z 0.44% 0.0475% 459 2.6 95 81793 2231706 2162825 1-0 18: 207 208 209 191 96 177 147 193 176 194 165 39 134 210 163 88 131 179 0.831 6.53 -140.9 79 100 85 99 207 72.4 57.971 0.066 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6895 864.5 >8 scans 63% 98 m/z 4.6% 0.00827% 644 1.2 61 7858 388010 378309 4-0 13: 98 55 39 41 97 81 57 38 79 70 43 56 68 0.834 7.71 9.2 96 98 84 97 98 15.8 6.741 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.4506 988.4 >11 scans 25% 265 m/z (55) 2.9% 0.00755% 1450 0.8 45 12467 354159 322883 0-3 15: 265 91 193 58 109 249 284 84 267 103 133 124 59 250 85 0.566 12.22 42.1 85 95 76 97 281 28.3 40.106 0.231 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2499 1009.6 13.1 scans 48% 81 m/z (59) 1.1% 0.0247% 1586 2.2 70 31369 1161699 1006299 2-2 12: 81 110 53 41 68 79 39 77 52 38 56 49 0.750 13.22 46.0 82 95 85 98 110 18.6 7.161 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1016 Limonene 13.9134 1027.6 8.5 scans 50% TIC 2.4% 0.0130% 1698 1.1 74 15103 612729 561118 1-1 0.774 13.89 52.3 87 98 80 97 136 16.5 4.933 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1035 1032.7 10.7 scans 93% 79 m/z 0.046% 0.972% 1731 1.3 485 780213 45593925 41323483 2-4 20: 79 108 107 77 51 91 78 50 80 90 89 39 109 65 63 53 52 74 105 62 0.992 14.11 53.7 92 100 100 100 108 214.8 19.607 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4594 1042.4 10.4 scans 64% 91 m/z 0.37% 0.0459% 1791 1.9 108 98319 2157140 1903853 2-3 16: 91 92 120 65 63 89 39 51 62 90 75 64 50 38 61 85 0.884 14.44 57.6 89 99 88 98 120 36.8 11.707 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1702 1061.6 11.4 scans 9.1% 94 m/z (105) 0.71% 0.0438% 1911 1.9 98 50990 2054247 1893538 1-3 9: 94 109 66 53 49 37 95 80 61 0.797 16.11 -208.6 73 97 84 98 109 52.9 29.279 -0.939 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1832 1062.0 12.9 scans 84% 105 m/z 0.062% 0.567% 1914 2.2 323 585678 26593105 24974257 2-1 20: 105 77 123 51 46 106 50 78 74 124 76 75 79 39 52 64 63 67 62 73 0.933 15.17 64.6 89 100 97 100 123 114.2 12.529 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN 98-86-2 ? Acetophenone 15.2741 1064.4 >13 scans 58% 120 m/z 0.17% 0.141% 1928 1.6 192 209443 0.333% 6631348 6332648 15616415 0-2 19: 120 105 51 43 106 78 50 76 63 75 91 107 49 62 89 121 65 66 61 0.959 15.29 -181.3 78 97 95 99 120 59.9 9.768 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4359 1068.8 9.0 scans 62% 95 m/z (57 120) 0.58% 0.0549% 1956 1.9 123 62427 2575711 2315544 2-4 10: 95 81 124 109 53 65 96 66 64 61 0.949 15.43 67.1 80 95 93 98 124 36.8 9.025 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1012 ?? Nicotine 16.1714 1088.7 9.8 scans 3.5% 134 m/z 21% 0.000432% 2081 1.4 11 1733 20242 19358 0-6 2: 134 133 0.609 25.78 -66.6 63 100 100 100 162 0.0 0.000 -9.607 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1002 Undecane 16.6124 1101.1 8.4 scans 69% 57 m/z (267) 0.73% 0.0475% 2156 1.1 123 49791 2229212 1993667 2-1 19: 57 71 43 41 85 56 98 70 55 84 156 99 69 39 113 42 58 67 157 0.939 16.59 1.1 93 97 96 98 156 14.7 1.425 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1016 Nonanal 16.7859 1108.4 8.8 scans 83% 57 m/z (79) 0.32% 0.202% 2185 1.5 237 113242 9496579 8338040 9-4 20: 57 41 56 43 55 98 70 44 82 69 68 95 96 81 67 39 42 71 114 83 0.989 16.82 86.0 80 98 98 98 124 11.2 0.224 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9636 1115.9 >9 scans 52% TIC 1.1% 0.0131% 2215 1.0 91 30932 615991 569080 1-0 0.870 16.97 91.2 79 98 85 98 128 24.3 7.111 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0847 1163.3 9.5 scans 59% 73 m/z 0.62% 0.0444% 2405 1.5 116 58443 2084102 1912113 2-3 20: 73 355 267 356 357 268 177 265 251 249 193 250 205 163 74 45 237 155 59 325 0.813 18.13 -168.4 78 99 78 98 355 53.8 21.492 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7016 1189.3 >11 scans 35% TIC 6.7% 0.00380% 2510 1.4 48 5380 0.00789% 178228 178228 370011 0-0 0.629 18.71 138.5 65 94 68 91 153 0.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8338 1194.9 8.8 scans 41% 70 m/z (151) 5.0% 0.0121% 2532 0.8 60 7175 571866 527433 1-3 15: 70 69 83 55 41 39 57 84 56 111 97 85 80 54 98 0.876 18.83 142.2 68 95 90 97 122 4.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7659 1234.3 12.2 scans 39% 119 m/z (57) 0.19% 0.138% 2690 1.1 179 190206 6517404 6084244 3-3 11: 119 91 134 65 120 135 50 51 63 52 118 0.908 13.76 34.8 77 84 74 85 134 63.0 12.320 6.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8008 1235.8 9.9 scans 69% 57 m/z 0.11% 0.293% 2696 1.2 290 330007 13758231 12643243 1-4 20: 57 45 41 75 87 56 101 100 72 59 43 85 60 73 58 44 71 55 132 88 0.912 19.81 168.3 76 97 89 99 144 7.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1004 ? Dodecane 20.3208 1257.7 9.7 scans 22% 43 m/z 3.0% 0.00623% 2784 1.0 46 11887 292280 270214 4-1 15: 43 57 97 71 41 127 139 98 113 70 99 69 56 125 140 0.466 20.32 0.0 70 78 44 87 170 7.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5109 1263.4 >15 scans 8.2% 58 m/z (110) 2.2% 0.00726% 2816 1.5 42 16569 0.00862% 340660 305700 404245 0-1 8: 58 97 74 100 87 98 126 129 0.107 16.82 -28.0 66 87 10 79 124 1.9 0.000 3.696 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5239 1263.8 8.4 scans 70% 57 m/z 1.0% 0.0635% 2819 1.2 147 34997 2982297 2659366 4-2 19: 57 41 55 43 82 68 71 56 44 81 112 67 83 69 96 42 84 39 109 0.909 20.56 185.1 77 100 96 99 128 13.8 0.880 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1034 ? Decanal 20.5275 1263.9 8.6 scans 67% TIC 1.0% 0.0464% 2819 1.2 143 33245 0.0593% 2178058 1999929 2780941 0-2 0.908 20.57 -143.1 75 99 94 98 138 9.4 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9903 1277.8 8.8 scans 67% 91 m/z (94) 0.83% 0.103% 2897 1.1 178 43799 4859656 4390342 4-3 20: 91 77 93 137 152 109 123 81 67 39 79 41 51 78 92 53 95 55 107 119 0.901 21.00 192.5 61 84 79 83 155 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1024 ? Hexadecane 21.0841 1280.6 7.8 scans 19% 71 m/z (144) 4.9% 0.00484% 2914 1.0 42 7338 227301 226679 1-0 8: 71 57 85 99 70 113 56 86 0.818 33.32 13.6 72 80 73 79 226 0.0 0.000 -12.235 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1166 1281.6 >9 scans 25% TIC 1.3% 0.00586% 2919 1.1 59 27202 274889 255144 1-0 0.471 12.25 128.5 75 97 68 96 281 41.8 49.578 8.866 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4549 1291.8 7.1 scans 6.7% 281 m/z 11% 0.00112% 2976 0.8 22 3108 52830 46705 3-1 7: 281 147 282 73 369 283 148 0.644 21.56 -146.9 61 95 57 90 369 7.2 0.000 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1016 ? Nicotine 22.7365 1330.2 10.2 scans 64% 73 m/z (86) 1.1% 0.0511% 3193 0.4 115 31029 2399418 2192963 2-3 14: 73 60 57 41 129 115 55 43 87 98 61 74 101 99 0.888 25.35 181.0 72 97 91 98 162 0.0 0.000 -2.618 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 22.7365 1330.2 10.2 scans 49% 73 m/z 1.1% 0.0328% 3193 0.4 100 31061 1542174 1409480 2-3 14: 73 60 57 41 129 115 55 43 87 98 61 74 101 99 0.747 22.70 -145.1 70 96 76 94 158 7.9 0.000 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8380 1363.3 9.0 scans 51% 57 m/z (72) 1.3% 0.0301% 3379 1.1 90 27753 1415757 1264963 2-2 11: 57 71 85 41 184 70 56 84 86 99 98 0.889 23.86 -0.7 89 96 88 94 184 11.5 1.632 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0960 1371.8 8.2 scans 68% TIC 0.31% 0.0866% 3423 0.9 171 116288 4062960 3742951 2-3 0.862 24.17 -152.0 79 99 82 98 429 55.2 10.412 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5423 1386.7 7.8 scans 65% 71 m/z (73) 0.83% 0.0401% 3499 1.5 115 43560 1883345 1719913 2-2 15: 71 57 85 43 84 70 113 126 99 127 72 56 155 212 169 0.873 24.54 249.4 76 100 90 98 169 13.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1032 ?? Dodecane 25.1781 1408.0 10.5 scans 35% 71 m/z (77) 2.9% 0.0136% 3607 0.7 59 12570 640720 577761 3-3 15: 71 57 85 69 99 70 41 59 42 127 108 56 112 126 86 0.569 20.36 7.8 62 74 66 76 170 0.0 0.000 4.820 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4107 1415.7 13.5 scans 85% TIC 0.077% 0.401% 3646 2.1 295 471141 18826415 17620919 1-2 0.963 25.89 258.7 76 95 90 95 162 77.2 6.830 -0.481 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0205 1469.5 >16 scans 40% TIC 5.7% 0.0109% 3919 0.7 66 6366 0.0188% 513665 464771 881647 1-0 0.775 27.02 296.1 69 91 68 90 208 5.6 0.714 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0825 1471.6 6.6 scans 49% 221 m/z 1.6% 0.0128% 3929 1.0 76 21772 604618 576940 1-1 18: 221 73 147 281 267 222 355 282 223 148 269 74 149 251 339 357 323 444 0.817 27.12 296.7 75 96 78 94 355 15.8 4.382 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1681 1474.4 7.9 scans 78% 57 m/z (163) 0.60% 0.0527% 3944 1.1 136 60737 0.0813% 2472402 2383152 3812656 1-0 20: 57 71 43 85 41 99 55 56 70 84 42 98 140 112 126 86 54 141 113 127 0.975 27.21 -1.4 96 98 96 98 198 15.3 1.270 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9910 1505.2 11.8 scans 74% 118 m/z (55) 0.38% 0.109% 4083 1.9 152 94720 5115818 4835744 1-2 18: 118 146 145 105 78 51 104 117 64 119 63 77 76 50 52 106 38 103 0.917 27.93 318.5 77 99 92 99 146 67.6 19.738 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6551 1530.2 8.0 scans 85% 43 m/z (162) 0.098% 0.347% 4196 1.0 334 369804 16293762 13966966 3-12 20: 43 69 41 151 107 136 125 67 93 109 83 53 81 121 39 68 79 108 55 77 0.988 28.67 332.8 78 99 99 99 194 21.4 0.411 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0867 1546.4 7.6 scans 78% 71 m/z (163) 0.20% 0.184% 4269 1.1 262 178793 0.261% 8654934 8178467 12239893 1-0 20: 71 57 43 85 41 70 55 56 141 113 112 99 84 97 69 183 42 140 72 127 0.973 29.10 342.5 68 92 93 91 227 6.3 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5123 1562.4 7.1 scans 50% 73 m/z 0.40% 0.0687% 4341 1.0 166 89065 3225487 2976648 2-3 20: 73 281 147 327 163 415 282 341 283 503 399 221 328 504 148 416 74 329 342 417 0.817 29.61 -150.7 77 98 86 98 503 29.7 3.193 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6463 1567.4 8.1 scans 78% TIC 0.090% 0.246% 4364 1.0 317 403155 11574953 11110433 1-1 0.951 29.68 354.9 70 90 86 90 192 34.9 1.217 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7466 1571.2 >9 scans 62% TIC 0.18% 0.0405% 4381 1.4 159 193896 0.0957% 1900224 1900224 4487961 0-0 0.915 29.77 357.2 76 97 87 97 193 13.5 0.721 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9344 1578.3 9.5 scans 76% 71 m/z (197) 0.17% 0.276% 4412 0.8 270 210172 12988012 11758071 2-2 20: 71 85 57 43 99 155 113 69 41 127 55 84 70 56 83 169 42 72 86 112 0.913 29.94 361.9 75 99 95 99 254 8.5 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3145 1592.6 8.7 scans 45% 57 m/z (179) 0.84% 0.0357% 4477 1.3 109 43394 0.0463% 1678100 1650416 2171291 1-0 19: 57 71 43 85 41 84 56 70 55 99 154 42 83 98 86 58 54 69 126 0.929 30.38 -2.3 87 93 89 90 212 15.1 0.000 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4857 1599.5 7.7 scans 63% 191 m/z 0.12% 0.0871% 4506 0.9 183 285023 4086812 3909942 1-3 17: 191 206 192 163 74 175 115 91 107 147 88 117 73 128 161 77 135 0.843 30.50 374.7 79 99 80 98 206 53.3 8.448 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8045 1612.9 8.7 scans 16% 124 m/z (71) 3.7% 0.00721% 4560 1.0 48 9613 338516 322914 0-3 4: 124 137 180 138 0.809 30.81 383.5 69 95 79 93 180 13.7 8.095 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.8606 1615.2 9.8 scans 21% 163 m/z (124) 6.5% 0.00859% 4569 3.5 48 5575 403199 303104 3-1 19: 163 105 132 79 115 155 133 160 41 77 145 116 65 103 59 74 52 165 91 0.629 30.88 -0.8 69 77 29 86 204 7.4 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1770 1628.5 9.0 scans 70% 111 m/z 0.25% 0.160% 4622 0.9 232 145725 7532455 7058396 2-1 20: 111 109 137 43 180 67 85 71 57 41 152 69 95 55 79 81 39 112 165 77 0.847 31.18 393.5 77 98 92 99 180 47.3 4.164 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5023 1642.2 9.1 scans 68% 43 m/z (197) 0.47% 0.0848% 4678 1.2 158 76889 3978218 3664619 1-1 20: 43 98 127 111 166 85 55 41 151 82 83 123 68 169 69 67 99 75 107 59 0.913 31.52 -0.5 93 96 93 96 166 30.1 3.601 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9161 1659.6 8.0 scans 47% 71 m/z (143) 1.4% 0.0312% 4748 0.6 99 24660 1467442 1353367 1-1 18: 71 57 83 55 85 43 82 70 99 113 155 86 141 84 72 187 111 210 0.927 31.92 -0.1 75 81 84 84 219 3.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1102 ? UNK 31.99min 31.9864 1662.5 8.3 scans 62% 127 m/z (95) 0.24% 0.0930% 4760 1.0 167 148991 4364773 3624484 11-5 16: 127 75 85 129 74 128 97 59 98 126 101 84 45 143 100 169 0.937 31.99 415.3 75 98 90 97 129 40.7 5.920 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0867 1666.7 6.8 scans 46% 221 m/z 0.68% 0.0315% 4777 0.9 114 53348 1477318 1280575 1-12 20: 221 73 147 295 222 207 223 341 355 325 296 342 208 356 357 224 267 74 281 283 0.863 32.08 0.3 95 97 81 96 355 21.4 3.500 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1635 1670.0 9.0 scans 35% 109 m/z (157) 1.6% 0.0343% 4790 1.1 103 21883 1609148 1489670 1-2 13: 109 123 163 206 137 74 107 95 79 91 129 121 138 0.613 32.20 419.7 70 95 69 93 206 20.3 3.921 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2302 1672.8 8.7 scans 50% 57 m/z (169) 0.71% 0.0565% 4801 1.2 116 50943 2652958 2238319 3-2 10: 57 71 85 183 99 56 113 42 141 211 0.841 32.24 -0.3 82 89 76 86 226 6.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 10.7 scans 50% 57 m/z (145) 1.1% 0.0435% 4836 0.8 104 32876 2042586 1818003 4-2 20: 57 56 43 55 41 82 196 97 99 141 86 104 168 100 70 131 54 169 72 125 0.820 32.44 -0.3 81 93 78 89 226 3.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6823 1691.8 >15 scans 34% 187 m/z (71) 7.8% 0.0178% 4877 1.1 63 4621 837343 754098 0-1 6: 187 105 96 39 122 53 0.701 32.67 0.3 88 96 66 93 220 4.8 0.578 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9262 1702.0 8.0 scans 64% TIC 0.11% 0.119% 4919 0.6 199 306734 5594570 5198631 5-5 0.791 32.93 -0.3 94 96 85 99 243 30.2 2.295 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0826 1708.6 7.5 scans 38% TIC 3.4% 0.00819% 4946 1.0 76 10532 384402 373771 0-1 0.743 33.09 -0.1 87 93 74 90 224 4.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 7.3 scans 81% 57 m/z (182) 0.32% 0.0983% 4983 0.8 190 111882 4612878 4283333 6-1 20: 57 71 85 43 41 55 99 56 70 69 84 72 98 42 83 112 127 126 97 169 0.982 33.37 -2.8 96 99 98 99 226 21.2 1.245 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1104 ?? UNK 33.53min 33.5301 1723.0 9.0 scans 29% 127 m/z 0.57% 0.0456% 5022 1.0 121 63073 2141826 1962572 3-4 11: 127 75 74 97 159 128 166 126 59 45 129 0.569 33.53 452.8 67 90 50 88 166 24.2 4.004 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8890 1728.2 7.6 scans 41% 71 m/z 1.6% 0.0163% 5082 1.0 85 22429 765526 696461 8-1 18: 71 43 57 85 70 168 197 41 99 55 196 56 113 69 127 181 198 84 0.783 33.90 -0.1 87 91 80 88 197 17.7 4.390 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.0885 1731.0 8.6 scans 45% 109 m/z (57) 1.3% 0.0492% 5116 1.3 121 27569 2309159 2019375 6-2 13: 109 95 105 191 121 137 107 135 119 220 79 187 96 0.850 34.14 451.8 75 99 84 97 220 18.8 2.415 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2709 1733.6 8.4 scans 27% 57 m/z (119) 2.5% 0.00846% 5147 0.8 54 14457 396789 369560 0-1 10: 57 85 71 183 98 210 67 141 127 113 0.791 34.27 0.0 84 92 68 88 211 12.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3931 1735.4 7.3 scans 57% 73 m/z 0.65% 0.0425% 5167 1.1 130 56035 1993295 1886254 2-2 19: 73 355 221 147 281 356 401 357 222 415 74 327 207 148 282 403 416 404 358 0.890 34.39 452.4 77 98 84 97 415 16.4 1.597 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1134 ?? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4244 1735.8 8.6 scans 34% 136 m/z (73) 2.6% 0.0203% 5173 1.1 84 13994 954666 954666 0-0 14: 136 95 92 93 105 79 121 137 122 123 159 117 39 106 0.859 34.50 451.2 62 88 78 88 218 0.0 0.000 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5466 1737.6 9.8 scans 12% TIC 4.0% 0.00451% 5194 1.0 53 8902 211890 211113 0-1 0.353 34.61 451.3 62 92 36 88 6 0.0 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7090 1739.9 10.2 scans 78% 91 m/z (57) 0.17% 0.182% 5221 1.0 218 208885 8551420 7917680 2-5 20: 91 155 199 90 65 184 92 89 120 44 137 63 106 64 200 39 51 66 62 201 0.939 34.79 450.9 77 99 95 99 199 61.2 7.835 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8973 1742.6 8.3 scans 29% 68 m/z (57) 2.0% 0.0204% 5253 1.2 84 18162 960175 877421 1-3 1: 68 0.894 34.90 -0.1 87 94 85 92 224 12.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5715 1766.6 7.0 scans 51% TIC 0.59% 0.0333% 5537 0.9 141 61669 0.0449% 1564992 1392843 2105637 3-1 0.876 36.58 450.1 78 98 86 97 369 22.7 2.583 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6677 1767.9 7.8 scans 29% 91 m/z (151) 2.6% 0.0153% 5553 1.3 73 13962 721246 673161 1-1 20: 91 135 124 82 81 198 206 121 147 110 107 177 150 152 163 221 187 205 122 53 0.859 36.70 449.4 73 97 78 96 220 27.1 13.847 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1978 1775.5 8.4 scans 84% TIC 0.066% 0.369% 5643 0.9 365 545115 17310193 16337738 2-1 0.959 37.20 449.2 80 99 97 99 224 115.0 9.923 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.2958 1776.9 8.9 scans 54% 71 m/z (197) 0.96% 0.0533% 5659 1.5 126 37978 2500085 2243215 0-6 16: 71 85 57 43 99 113 127 169 56 225 86 141 126 70 153 246 0.965 38.91 -23.1 77 82 91 81 254 0.0 0.000 -1.614 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0550 1787.8 8.2 scans 59% 57 m/z 0.67% 0.0412% 5788 1.1 130 53966 1934784 1848542 2-1 20: 57 71 85 43 56 225 41 99 55 113 224 69 169 86 127 98 70 83 155 128 0.861 38.06 448.1 74 95 84 93 225 26.5 4.117 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6164 1795.8 7.3 scans 42% 73 m/z 0.91% 0.0254% 5884 1.0 100 39803 1192082 1077348 3-2 17: 73 429 221 355 281 341 356 433 207 223 222 148 282 295 343 327 325 0.790 38.59 447.7 75 96 74 95 429 33.3 11.163 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1518 1830.0 9.1 scans 95% 159 m/z 0.018% 3.86% 5974 0.6 1110 2013492 181107880 173352951 3-1 20: 159 161 105 119 91 81 69 41 132 93 55 160 146 145 121 107 131 117 79 77 0.997 39.14 473.3 81 100 100 100 272 132.7 1.431 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1010 ?? Phytol 41.52min 39.2545 1842.7 8.1 scans 34% 123 m/z 0.96% 0.0231% 5991 1.4 95 37945 1087944 983881 0-7 12: 123 82 95 278 81 109 67 137 108 165 279 80 0.671 41.52 448.8 64 85 60 84 278 18.5 3.818 -2.266 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2545 1842.7 8.1 scans 51% 123 m/z (201) 0.95% 0.0406% 5991 1.4 116 38123 1904598 1722423 0-7 12: 123 82 95 278 81 109 67 137 108 165 279 80 0.934 41.03 456.4 66 91 87 89 278 18.6 2.593 -1.779 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4540 1867.5 8.3 scans 31% 74 m/z (148) 1.7% 0.0251% 6025 1.1 91 21066 1179723 1099011 2-3 12: 74 87 227 213 256 59 185 157 228 225 102 101 0.854 39.45 506.0 69 95 84 98 256 11.9 1.692 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8791 1920.1 18.2 scans 96% 95 m/z 0.013% 12.4% 6097 0.2 1499 2696143 583654243 572559486 0-1 20: 95 68 82 123 69 81 67 43 83 57 97 109 71 124 111 79 137 56 70 53 0.999 39.94 551.0 81 100 100 100 278 96.6 0.416 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9363 1927.2 5.9 scans 47% 58 m/z (188) 0.65% 0.0588% 6107 1.3 167 55904 2758583 2559888 0-3 8: 58 43 59 109 110 250 124 165 0.914 39.88 558.9 70 95 90 95 250 19.0 1.285 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2350 1964.3 10.1 scans 92% 159 m/z (99) 0.026% 3.28% 6157 0.7 954 1383335 153970338 144166488 2-2 20: 159 119 105 93 41 132 160 145 55 146 131 133 79 121 77 67 106 92 109 147 0.989 40.24 590.4 79 100 99 100 272 104.7 1.205 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3254 1975.5 8.0 scans 49% 149 m/z (99) 0.13% 0.0676% 6172 0.9 154 269868 3170479 3005243 2-1 11: 149 223 150 76 104 167 224 50 205 168 206 0.723 40.31 600.6 72 96 74 96 223 35.5 5.295 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1110 Phytol 40.5326 2001.2 19.1 scans 92% 81 m/z 0.013% 12.3% 6208 0.1 1486 2787675 577532048 545402153 0-5 20: 81 82 95 123 68 79 57 43 67 69 55 83 109 124 41 97 71 53 137 85 0.999 40.66 -16.0 100 100 100 100 278 204.0 1.883 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6105 2010.8 7.2 scans 13% 221 m/z (191) 0.97% 0.0296% 6221 1.0 108 37261 1392252 1324130 2-5 18: 221 73 295 207 281 222 369 296 223 355 74 297 283 370 371 341 205 401 0.946 40.63 630.7 72 96 92 97 369 17.8 2.716 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1254 Phytol 40.9039 2047.2 8.8 scans 80% 82 m/z (159) 0.021% 2.57% 6271 0.8 905 1680675 120908492 113981966 2-2 20: 82 95 57 96 43 67 71 83 278 85 56 107 80 279 179 151 193 152 122 99 0.998 40.87 4.5 95 96 98 97 278 145.7 2.595 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0237 2062.1 >8 scans 41% TIC 0.75% 0.0150% 6291 1.3 133 48558 0.0492% 708014 708014 2307290 0-0 0.899 41.00 676.3 76 98 89 98 262 18.9 2.030 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1117 2073.0 10.6 scans 39% 109 m/z (161) 1.4% 0.0774% 6305 1.1 139 24954 0.105% 3631367 3383325 4924095 1-2 18: 109 262 191 81 177 123 95 229 43 143 137 79 121 150 136 244 144 247 0.871 41.13 685.2 68 94 78 92 262 30.5 4.818 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2835 2094.3 8.3 scans 61% 79 m/z (276) 0.77% 0.108% 6335 1.0 190 46791 5078322 4746225 3-1 20: 79 95 67 69 81 80 93 41 55 121 91 108 105 77 107 94 135 191 82 163 0.844 41.26 3.3 82 92 86 93 264 10.8 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4671 2117.0 8.5 scans 53% 93 m/z (197) 0.60% 0.192% 6366 0.9 259 59792 0.201% 9007954 8902871 9426124 5-1 20: 93 109 205 41 107 79 91 175 217 121 189 69 105 203 135 220 77 177 133 80 0.754 41.49 -79.6 72 90 68 90 276 12.1 0.217 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.6572 2128.8 13.3 scans 94% 159 m/z 0.010% 8.26% 6398 0.3 1391 3390064 387510372 377813555 2-1 20: 159 272 105 91 119 69 79 93 161 188 273 67 117 147 106 146 201 162 115 257 0.992 41.76 731.1 80 99 99 100 272 383.9 7.620 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.7982 2136.7 8.5 scans 92% 189 m/z 0.043% 2.17% 6422 0.7 857 829892 102223924 97373633 2-2 20: 189 272 105 147 119 161 190 41 69 159 81 93 79 55 145 131 77 121 148 201 0.967 41.87 737.3 81 100 97 100 272 200.1 5.451 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1258 Diterpene 42.0min 41.9464 2145.0 10.1 scans 55% 133 m/z (74) 0.72% 0.138% 6448 1.1 204 50619 6480465 5960667 2-0 20: 133 91 93 105 69 81 79 175 120 106 147 134 148 136 77 123 229 135 95 257 0.896 42.05 -5.6 86 89 81 89 272 28.1 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0149 2148.9 15.2 scans 63% TIC 0.068% 0.596% 6459 0.6 415 532858 0.780% 27954013 25467376 36578990 2-0 0.740 42.01 746.9 76 96 69 95 272 4.9 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1092 ? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 42.0704 2152.0 8.0 scans 55% 161 m/z 0.13% 0.212% 6468 0.8 295 270999 9984049 9498295 1-1 16: 161 272 105 91 188 119 162 187 159 133 201 117 160 147 77 120 0.873 42.21 746.1 70 90 66 89 272 78.5 7.095 -0.137 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1090 ? UNK 42.45min 42.4110 2171.1 8.1 scans 58% 159 m/z 0.041% 0.450% 6526 0.6 393 880622 21113677 19969096 3-1 10: 159 105 160 69 93 158 145 79 77 106 0.783 42.45 760.5 78 100 78 97 272 8.7 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6536 2184.7 8.8 scans 72% 147 m/z (149) 0.76% 0.184% 6567 1.1 238 47733 8630675 7954717 0-3 20: 147 69 105 91 41 81 93 95 119 107 79 161 229 133 82 121 67 109 135 55 0.968 42.40 14.3 88 90 89 90 272 25.9 1.186 0.255 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1112 Phyllocladene 43.2091 2215.9 9.3 scans 78% 187 m/z 0.018% 2.06% 6661 0.7 930 1928915 3.26% 96912194 96374430 152881419 1-0 20: 187 134 272 105 119 91 188 162 159 41 81 69 145 163 117 160 147 55 79 77 0.966 43.24 -1.5 100 100 97 100 272 228.3 6.028 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.2941 2220.7 7.9 scans 70% 159 m/z (289) 0.020% 1.24% 6675 1.3 627 1789124 58186466 52460475 0-3 20: 159 186 160 129 270 157 144 143 128 131 199 158 115 141 187 142 171 130 271 156 0.864 43.31 793.1 74 94 88 100 270 107.8 2.963 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.7357 2245.5 >8 scans 37% 148 m/z (159) 2.1% 0.0473% 6751 0.2 134 16839 0.0514% 2222807 2199888 2410462 2-0 20: 148 74 229 87 270 185 65 186 123 89 107 122 243 135 176 175 204 199 227 101 0.846 43.55 10.3 70 76 72 77 272 5.8 0.000 0.184 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1238 Trachylobane 43.8248 2250.5 9.4 scans 39% TIC 0.31% 0.319% 6765 0.6 282 116646 15005019 13259517 2-5 0.458 44.15 -18.8 82 85 46 82 272 62.3 0.000 -0.329 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8467 2251.7 8.6 scans 4.1% 71 m/z (107 205) 2.0% 0.0202% 6769 0.7 73 17458 949488 786549 3-5 14: 71 85 127 268 99 113 183 84 86 170 266 140 282 197 0.680 43.94 -5.0 62 86 64 81 282 4.9 0.451 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1643 2327.4 8.8 scans 78% TIC 0.42% 0.297% 6992 1.0 318 86108 13972079 13186334 2-2 0.853 44.90 15.2 84 88 80 88 272 23.8 0.561 0.263 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.7771 2362.6 9.6 scans 85% TIC 0.22% 0.515% 7096 0.9 395 162817 24178704 22783298 2-1 0.936 45.79 886.6 77 98 94 98 429 3.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.8001 2364.0 8.4 scans 5.1% 73 m/z (183) 2.8% 0.00916% 7100 5.7 77 12725 0.0181% 429891 410894 848820 0-1 19: 73 355 281 356 223 176 219 357 246 291 265 245 207 401 222 325 74 221 429 0.842 45.78 1.4 75 81 60 83 503 7.6 0.978 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0976 2381.1 7.9 scans 70% TIC 0.38% 0.124% 7150 1.1 233 95729 0.148% 5852589 5621604 6940629 1-0 0.885 46.13 -2.1 93 97 91 96 292 17.7 0.579 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN N406_R~1-N1018 Geranyl-linalool/geraniol 46.2830 2391.8 8.5 scans 89% 69 m/z 0.18% 0.638% 7182 0.9 473 197687 29937281 27937352 1-2 20: 69 190 95 109 81 147 121 107 41 105 43 93 203 161 119 55 67 79 91 133 0.980 46.29 905.9 80 99 98 99 272 35.7 0.571 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7582 2419.1 7.8 scans 42% 74 m/z (159) 1.6% 0.0160% 7262 1.1 74 21478 751024 685140 5-3 11: 74 87 75 143 255 298 199 98 213 267 88 0.831 46.76 924.0 69 96 81 94 298 15.1 4.150 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5050 2462.1 8.1 scans 27% 120 m/z (84) 5.7% 0.00583% 7388 1.1 44 6372 273752 271493 0-2 5: 120 121 306 139 98 0.670 47.50 949.3 69 97 69 94 168 5.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6891 2472.7 6.6 scans 14% 221 m/z (158) 11% 0.00188% 7420 0.8 29 3261 0.00208% 88291 88291 97544 0-0 5: 221 295 369 222 296 0.626 44.32 1025.4 61 96 74 93 369 7.9 7.567 3.369 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9294 2544.1 7.5 scans 39% 73 m/z 2.8% 0.00796% 7631 1.1 55 12781 373610 347498 3-3 19: 73 355 221 356 281 431 357 358 401 282 430 222 415 325 341 75 432 267 342 0.663 48.95 993.7 71 97 63 95 429 18.4 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8457 2711.8 8.2 scans 39% 73 m/z 2.8% 0.00799% 8124 1.4 52 12721 374745 336081 6-5 18: 73 355 147 429 221 281 357 283 505 341 342 282 265 295 222 431 430 503 0.600 51.86 1080.9 71 95 59 91 503 9.7 3.450 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2732 775.5 5.7 scans 94% 77 m/z 0.020% 0.382% 65 1.8 426 1677558 15677496 14047948 1-5 19: 77 45 78 79 62 76 59 75 61 63 47 46 92 60 58 33 64 80 65 0.995 4.37 21.5 100 100 99 100 77 362.7 72.582 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.3228 828.9 10.3 scans 59% 57 m/z (72) 1.4% 0.0139% 413 0.3 63 23771 0.0175% 570663 511133 717784 0-10 8: 57 41 45 87 39 59 58 102 0.825 6.03 -132.7 72 98 89 98 102 7.5 0.000 0.290 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5908 835.8 18.3 scans 67% 207 m/z 0.39% 0.0626% 458 2.9 109 89715 2569302 2299087 2-2 20: 207 208 209 97 193 133 163 177 147 191 75 192 119 165 161 103 194 87 211 135 0.767 6.53 -141.0 79 100 84 99 207 83.9 59.667 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6847 864.3 8.6 scans 90% 41 m/z (96) 0.53% 0.121% 643 1.5 208 65903 0.209% 4970685 4840954 8572391 1-0 20: 41 69 83 55 39 42 57 98 70 56 97 80 43 53 79 40 54 38 51 68 0.988 7.71 9.0 99 100 99 100 98 41.5 3.971 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKSTART-N1002 Contamination 12.22min 13.0077 1003.0 9.1 scans 49% 281 m/z (60) 0.43% 0.0692% 1545 2.0 136 79880 2839651 2556061 3-3 20: 281 43 108 283 282 69 55 71 41 111 99 125 207 133 249 265 191 67 58 83 0.640 12.22 56.7 84 96 57 99 281 79.2 33.634 0.788 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1022 ? Octanal 13.6323 1019.9 7.7 scans 19% 56 m/z 3.6% 0.0102% 1651 1.2 65 9534 419728 350581 1-7 15: 56 84 41 57 44 55 39 69 100 68 82 72 85 121 66 0.456 12.96 -154.9 71 96 49 93 110 13.7 0.000 0.677 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.9027 1027.3 10.1 scans 59% 81 m/z (97) 0.80% 0.0320% 1697 2.2 89 43358 1316057 1208115 2-2 12: 81 110 53 80 79 41 67 77 68 82 52 50 0.890 13.22 63.7 83 98 89 97 110 23.9 7.261 0.681 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.4953 1043.3 8.1 scans 53% 68 m/z (109) 4.0% 0.0127% 1797 1.5 67 8542 521708 471194 3-0 12: 68 123 136 91 94 105 81 53 84 70 95 56 0.799 13.89 68.0 68 81 73 97 136 13.5 4.067 0.603 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6807 1048.4 11.1 scans 93% 79 m/z 0.056% 0.892% 1828 1.2 479 620846 36625516 32380437 3-5 20: 79 108 107 77 51 91 78 50 80 90 89 63 109 65 39 52 53 74 105 76 0.993 14.11 69.4 89 100 100 100 108 210.7 19.335 0.572 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9912 1056.8 8.7 scans 69% 91 m/z 0.29% 0.0551% 1881 1.6 133 116827 2260661 2049290 2-4 17: 91 120 92 65 63 89 39 51 121 62 64 90 52 38 61 49 66 0.937 14.44 72.0 86 99 93 99 120 45.4 11.590 0.549 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1002 ? IS d3-Acetophenone 15.6577 1074.8 11.0 scans 84% 105 m/z 0.18% 0.212% 1994 2.1 222 187683 8717170 8018218 2-1 20: 105 77 123 94 109 51 46 66 50 78 39 74 52 53 38 64 67 79 65 110 0.952 15.17 77.4 73 85 82 92 123 71.7 10.419 0.488 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN 98-86-2 ? Acetophenone 15.7291 1076.8 >10 scans 57% 105 m/z 0.60% 0.0356% 2007 999.0 115 57908 0.126% 1460502 1381682 5168044 0-2 15: 105 77 107 63 74 106 89 51 65 43 91 121 49 125 39 0.937 15.29 -168.9 74 93 88 98 120 33.0 8.290 0.436 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN GLAU_R~1-N1070 ?? 3,5-Octadien-2-one 16.7185 1105.6 9.1 scans 36% 95 m/z (105) 2.4% 0.0109% 2173 1.5 57 14192 447532 405794 1-4 5: 95 124 79 81 83 0.817 15.43 103.9 69 96 82 97 124 15.9 7.937 1.286 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.9570 1115.6 8.0 scans 38% 57 m/z (284) 3.4% 0.0118% 2214 1.4 65 10224 485380 453377 1-2 9: 57 71 179 156 93 80 69 98 191 0.738 16.59 15.6 70 85 82 92 156 8.8 0.000 0.370 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1229 1122.6 8.2 scans 86% 57 m/z (114) 0.35% 0.193% 2242 1.2 254 99770 7929586 7052269 6-4 20: 57 41 56 43 55 98 70 44 69 82 68 95 96 67 81 39 42 71 54 83 0.993 16.82 -168.8 76 98 98 98 124 11.9 0.000 0.308 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3213 1173.3 9.2 scans 61% 73 m/z 0.49% 0.0573% 2445 1.5 139 70991 2351478 2203577 2-2 20: 73 355 267 356 268 357 269 251 74 358 193 250 341 75 339 324 155 162 154 177 0.880 18.13 -158.4 79 99 85 98 355 58.2 17.556 0.190 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.4169 1177.3 9.3 scans 36% 144 m/z 3.1% 0.00931% 2461 1.5 56 11145 382208 333513 2-4 8: 144 43 101 44 72 115 102 145 0.838 18.22 133.8 70 91 69 90 144 29.6 27.446 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN M4942-N1002 ? Pyranone 18.4240 1177.6 >9 scans 31% TIC 3.3% 0.00269% 2463 0.9 52 10450 110430 110430 0-0 0.673 20.04 -212.9 75 97 62 95 144 28.6 29.990 -1.618 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 18.4600 1179.1 7.4 scans 7.3% 282 m/z (144) 13% 0.00121% 2468 1.6 22 2641 0.00151% 49763 44218 61934 2-0 5: 282 207 193 283 265 0.377 12.25 26.0 73 88 25 87 281 14.4 43.819 6.209 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 19.0586 1204.4 8.7 scans 48% 70 m/z 3.6% 0.0139% 2570 1.1 78 9664 570525 523831 2-3 19: 70 41 83 55 69 43 57 84 81 98 39 56 42 65 67 79 93 97 71 0.788 18.83 151.7 69 92 75 96 122 2.7 0.000 0.229 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.2959 1214.4 >11 scans 27% 122 m/z (123) 2.7% 0.00652% 2610 0.0 51 12601 0.0266% 267787 267787 1091032 0-0 3: 122 105 77 0.777 20.03 143.7 64 88 82 88 122 24.2 22.280 -0.733 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.9618 1242.6 11.4 scans 77% 119 m/z (97) 0.21% 0.138% 2723 1.4 191 164844 5699959 5397635 2-3 16: 119 91 134 65 120 63 92 89 90 62 50 74 51 76 135 61 0.965 13.76 43.1 76 84 72 85 134 64.5 11.427 6.205 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1034 ? Decanal 20.6861 1268.7 8.3 scans 83% 57 m/z (110) 0.68% 0.122% 2846 1.0 203 50991 5035461 4573104 4-2 19: 57 41 55 43 70 82 71 68 44 83 56 112 81 67 69 96 84 42 39 0.989 20.57 -138.3 74 94 96 98 138 10.6 0.271 0.117 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6861 1268.7 8.3 scans 81% 57 m/z 0.71% 0.110% 2846 1.0 199 49211 4546022 4128605 4-2 19: 57 41 55 43 70 82 71 68 44 83 56 112 81 67 69 96 84 42 39 0.948 20.56 190.0 78 98 97 99 128 18.0 0.814 0.123 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.1537 1342.7 >15 scans 88% TIC 0.20% 0.344% 3264 0.2 295 172107 0.349% 14131425 13680660 14314662 0-8 0.980 22.70 -132.6 77 95 94 99 158 20.7 0.491 0.458 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1437 1373.4 7.1 scans 74% 73 m/z 0.24% 0.0968% 3432 1.1 202 142796 3972489 3649213 2-5 20: 73 341 429 147 342 325 343 430 431 74 326 327 344 148 432 75 249 311 59 295 0.905 24.17 -150.4 79 99 88 99 429 55.8 7.648 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1006 ? Tridecane 24.6059 1388.9 7.7 scans 56% 71 m/z (98) 1.5% 0.0248% 3510 1.1 96 22823 1019608 915649 1-4 16: 71 57 85 43 41 84 126 99 113 70 127 112 56 155 72 128 0.884 23.86 24.9 76 84 88 83 184 0.0 0.000 0.744 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.6059 1388.9 7.7 scans 57% 71 m/z (82) 1.5% 0.0251% 3510 1.1 97 22581 1033052 927722 1-4 16: 71 57 85 43 41 84 126 99 113 70 127 112 56 155 72 128 0.949 24.54 251.6 76 99 95 98 169 9.6 0.983 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7423 1393.4 8.1 scans 60% 69 m/z (123) 2.1% 0.0188% 3532 1.0 85 16183 0.0207% 771187 756036 849036 1-4 20: 69 83 55 142 41 82 143 113 58 56 111 71 39 93 108 70 68 100 127 67 0.920 24.70 253.8 67 89 85 97 170 0.0 0.000 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1032 ?? Dodecane 25.2287 1409.7 11.0 scans 34% 43 m/z (99) 2.9% 0.0129% 3615 0.7 55 11761 530302 445606 3-3 11: 43 71 57 85 56 41 86 127 69 112 105 0.636 20.36 9.5 66 84 76 81 170 0.0 0.000 4.871 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.4726 1417.8 10.1 scans 93% 84 m/z 0.034% 0.879% 3656 1.7 486 1016672 36063746 34036891 1-2 20: 84 133 162 161 42 119 92 118 85 130 65 134 51 78 117 39 120 77 55 91 0.981 25.89 260.8 77 96 92 96 162 125.2 6.623 -0.419 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0517 1470.5 9.0 scans 30% 121 m/z (71) 9.2% 0.0110% 3924 0.8 59 3766 453792 412776 1-1 13: 121 136 80 93 107 161 79 138 120 208 105 81 94 0.674 27.02 297.1 62 92 72 90 208 6.3 0.000 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1036 1472.3 6.5 scans 40% 221 m/z 2.1% 0.0107% 3933 1.0 71 16506 441894 398683 2-2 19: 221 73 147 281 222 268 355 223 149 205 45 191 443 356 74 131 357 75 269 0.799 27.12 297.4 74 95 73 93 355 13.7 3.732 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1993 1475.5 >10 scans 74% TIC 0.83% 0.0327% 3949 1.2 124 42152 0.0702% 1344251 1344251 2879339 0-0 0.927 27.21 -0.3 93 94 90 95 198 15.0 1.467 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0127 1506.0 10.2 scans 79% 118 m/z 0.22% 0.158% 4087 1.4 215 152583 6516459 5915817 1-9 20: 118 146 145 105 78 51 119 63 104 117 91 147 41 65 64 42 39 77 50 90 0.934 27.93 319.3 79 99 93 99 146 94.5 19.244 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6786 1531.0 7.9 scans 85% 43 m/z 0.10% 0.308% 4200 0.9 343 331741 12637248 11508192 3-11 20: 43 69 41 151 136 107 67 125 93 109 83 121 53 39 68 81 108 79 55 91 0.963 28.67 333.6 79 99 96 98 194 21.5 0.393 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1060 1547.1 7.5 scans 78% 71 m/z (59) 0.22% 0.168% 4272 1.0 260 152826 0.228% 6892407 6517625 9351699 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 69 183 97 42 140 72 155 0.971 29.10 343.2 69 92 92 91 227 4.4 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5222 1562.8 6.9 scans 61% 73 m/z 0.31% 0.0869% 4343 1.0 196 110711 3566773 3370900 3-2 20: 73 281 147 327 282 415 341 283 221 148 503 399 328 74 416 342 504 207 329 59 0.929 29.61 -150.3 79 99 91 98 503 27.7 1.996 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6663 1568.2 8.2 scans 72% 177 m/z 0.15% 0.199% 4367 0.9 282 231751 8191776 7630420 2-1 20: 177 158 157 43 178 91 135 77 105 93 79 121 149 107 41 122 133 119 192 117 0.880 29.68 355.7 77 97 83 97 192 29.5 1.092 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7696 1572.1 15.3 scans 68% TIC 0.19% 0.0598% 4384 1.2 173 175946 0.0967% 2456849 2456849 3966269 0-0 0.925 29.77 358.1 78 98 91 98 193 14.8 0.734 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9508 1578.9 8.6 scans 73% 71 m/z 0.21% 0.189% 4415 0.8 254 163708 7763138 7214454 1-3 19: 71 85 57 43 99 113 127 55 69 41 155 70 84 56 169 83 126 42 112 0.917 29.94 362.5 76 96 91 97 254 6.8 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3280 1593.1 8.3 scans 46% 57 m/z (183) 0.90% 0.0380% 4479 1.2 119 38624 0.0494% 1562598 1539355 2026201 1-0 16: 57 71 43 85 41 55 56 112 70 99 42 97 98 126 140 113 0.961 30.38 -1.8 90 95 94 94 212 14.6 1.517 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5140 1600.7 7.9 scans 51% 191 m/z 0.21% 0.0582% 4511 1.1 153 163203 2390230 2273242 2-1 15: 191 206 192 163 73 91 115 77 107 88 207 72 102 147 105 0.838 30.50 375.9 78 98 80 97 206 45.1 8.683 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8239 1613.7 7.9 scans 30% 124 m/z (71) 2.3% 0.0132% 4563 0.8 70 15188 543424 506019 2-2 6: 124 137 180 54 59 138 0.898 30.81 384.3 73 96 84 96 180 18.6 7.047 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8941 1616.6 9.4 scans 36% 161 m/z (171) 2.2% 0.0171% 4575 1.3 77 15658 705108 705108 0-0 19: 161 66 148 105 77 204 163 133 119 134 149 89 115 146 120 57 103 41 79 0.798 30.88 0.6 82 88 61 91 204 9.1 1.380 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1958 1629.3 8.9 scans 57% 111 m/z 0.35% 0.113% 4626 0.9 203 97444 4659379 4362025 2-1 20: 111 109 43 137 67 110 85 41 124 152 95 180 55 69 39 81 79 77 112 127 0.765 31.18 394.3 78 100 94 99 180 42.9 4.447 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9219 1659.8 9.2 scans 40% 71 m/z (143) 1.6% 0.0325% 4749 0.7 106 21512 1335025 1286960 1-0 20: 71 57 43 41 85 99 55 69 86 113 155 87 70 125 210 45 187 202 141 126 0.870 31.92 0.1 67 77 72 80 219 2.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1102 ? UNK 31.99min 32.0051 1663.3 8.5 scans 81% 127 m/z 0.059% 0.412% 4763 0.9 386 585235 16912027 15481974 9-3 19: 127 85 75 129 74 33 128 97 59 98 43 84 126 55 41 45 101 42 69 0.924 31.99 416.1 79 99 94 99 129 89.9 5.437 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0807 1666.5 6.7 scans 30% 221 m/z 1.1% 0.0166% 4776 1.0 88 29267 683350 620940 10-2 18: 221 73 147 223 222 295 207 281 341 355 342 267 148 327 325 326 356 205 0.811 32.08 0.1 93 96 75 94 355 15.5 3.121 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1124 ?? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1758 1670.5 9.5 scans 12% 109 m/z 1.9% 0.0163% 4792 1.0 75 18272 672080 606481 2-2 14: 109 74 163 123 191 53 93 79 107 81 137 173 91 135 0.217 32.20 420.2 64 92 35 87 206 20.2 7.223 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2354 1673.0 9.5 scans 52% 57 m/z (109) 0.93% 0.0602% 4802 1.0 122 37300 2470392 2241586 2-1 9: 57 71 56 99 70 182 211 141 226 0.883 32.24 -0.1 79 85 82 83 226 5.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4414 1681.7 9.7 scans 54% 57 m/z (69) 0.98% 0.0518% 4837 0.8 121 35700 2124932 1887552 2-2 18: 57 71 85 56 43 197 196 41 113 55 99 131 111 42 198 97 82 141 0.902 32.44 -0.0 88 94 86 93 226 4.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1206 ? Spathulenol 32.6764 1691.5 9.7 scans 22% 105 m/z (95) 8.0% 0.00898% 4877 1.1 51 4349 368620 332798 0-1 18: 105 106 119 91 149 84 131 146 65 187 205 135 122 93 107 160 162 79 0.619 32.67 0.0 79 88 53 84 220 4.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8717 1699.7 >9 scans 42% TIC 1.3% 0.0159% 4910 0.8 94 26005 0.0496% 652767 627189 2034405 1-0 0.756 32.87 0.2 71 79 65 77 186 0.0 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.9 scans 40% 71 m/z (149) 0.34% 0.0432% 4920 0.8 124 101109 1775833 1634437 2-1 10: 71 43 159 72 243 155 173 124 73 143 0.590 32.93 -0.1 91 98 95 99 243 18.6 2.264 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0866 1708.8 7.7 scans 53% TIC 2.4% 0.0196% 4946 1.2 109 14152 805962 803120 0-1 0.868 33.09 0.1 93 96 87 94 224 6.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3098 1718.1 7.5 scans 83% 57 m/z (95) 0.26% 0.136% 4984 0.8 229 129797 5590470 5281193 6-1 19: 57 71 85 43 41 55 99 56 70 113 69 42 226 84 98 112 83 141 72 0.984 33.37 -2.7 97 99 98 99 226 25.0 1.196 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1104 ? UNK 33.53min 33.5388 1723.2 8.6 scans 87% 127 m/z (175) 0.10% 0.566% 5023 0.9 433 339596 23230691 21180727 3-4 18: 127 75 85 74 97 159 126 128 43 84 166 98 101 59 45 55 129 124 0.995 33.53 453.0 77 98 98 100 166 63.8 2.167 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8889 1728.2 7.9 scans 50% 71 m/z (233) 1.9% 0.0249% 5082 1.2 95 18188 1024149 906894 6-1 17: 71 57 43 169 85 70 168 99 196 56 113 170 141 127 66 126 197 0.787 33.90 -0.1 82 89 86 97 197 18.2 3.676 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1132 ? Longifolenaldehyde 34.1014 1731.2 8.7 scans 59% 109 m/z (57) 0.98% 0.0780% 5118 1.0 156 35594 3201606 2838842 6-4 18: 109 95 105 121 107 191 77 135 220 119 93 137 81 79 123 136 189 176 0.894 34.14 452.0 77 99 89 98 220 23.1 2.179 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2661 1733.6 8.5 scans 36% 57 m/z (173) 1.9% 0.0182% 5146 1.3 80 18060 746637 687546 1-2 14: 57 71 85 83 43 210 98 113 56 182 70 183 58 127 0.848 34.27 -0.0 86 94 87 92 211 14.4 3.267 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3895 1735.3 6.9 scans 57% 73 m/z 0.62% 0.0390% 5167 1.0 133 55839 1601791 1535093 1-2 20: 73 355 147 221 281 356 401 357 74 282 222 402 283 327 223 207 415 148 284 268 0.878 34.39 452.3 76 96 82 96 415 14.9 1.266 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5530 1737.7 9.0 scans 16% 125 m/z 4.0% 0.00734% 5195 1.0 65 8751 301112 286666 1-1 20: 125 163 123 43 69 126 196 57 109 122 81 67 70 82 41 83 68 124 178 55 0.398 34.61 451.4 67 95 47 92 6 0.0 0.000 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7201 1740.1 9.7 scans 60% 91 m/z 0.34% 0.0784% 5223 1.0 157 100336 3217503 2874652 3-4 18: 91 155 199 90 65 184 92 89 44 120 137 121 106 156 134 39 62 51 0.912 34.79 451.1 77 97 86 96 199 46.6 8.792 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8978 1742.6 8.1 scans 46% 68 m/z (71) 1.3% 0.0409% 5253 1.4 119 26220 1678634 1558125 1-3 5: 68 69 97 111 224 0.935 34.90 -0.1 90 95 95 95 224 16.4 1.895 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5654 1766.5 7.0 scans 41% 221 m/z 0.87% 0.0317% 5535 0.9 118 39950 1303689 1220700 3-2 19: 221 73 147 295 281 296 341 223 148 282 222 370 208 74 265 369 327 342 356 0.832 36.58 450.0 77 98 81 96 369 18.3 2.378 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6682 1767.9 8.7 scans 26% 220 m/z (197) 2.9% 0.0134% 5553 1.4 70 11951 551984 550108 1-0 8: 220 136 137 123 77 93 149 221 0.840 36.70 449.4 71 96 76 95 220 26.6 14.316 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.3 scans 80% 209 m/z 0.083% 0.337% 5643 1.0 353 417442 13823580 13066313 2-2 20: 209 224 181 165 210 167 178 105 166 179 103 225 77 194 91 152 193 115 119 97 0.954 37.20 449.2 80 99 96 99 224 110.5 9.792 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.2992 1777.0 8.6 scans 51% 85 m/z (210) 1.1% 0.0482% 5660 1.2 126 31067 1978200 1759667 1-6 18: 85 71 57 43 99 113 84 126 70 127 140 154 169 100 155 225 56 112 0.961 38.91 -23.0 77 81 89 81 254 0.0 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0519 1787.7 8.0 scans 68% 57 m/z (195) 0.65% 0.0618% 5787 1.2 150 53377 2537561 2320661 2-2 19: 57 71 85 43 56 41 225 99 55 224 98 113 127 83 70 114 226 183 97 0.945 38.06 448.0 75 99 94 98 225 29.3 3.800 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6109 1795.7 7.4 scans 40% 73 m/z 0.94% 0.0220% 5882 1.1 97 36959 903421 869681 1-3 20: 73 147 221 429 355 430 281 341 222 431 356 249 207 325 401 343 357 148 208 282 0.785 38.59 447.6 73 94 70 92 429 27.8 8.264 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1096 Geranyl-a-terpinene 39.1458 1829.2 8.9 scans 94% 159 m/z 0.027% 2.79% 5973 0.6 987 1284062 114751166 107243767 3-2 20: 159 161 105 119 120 91 69 81 41 132 93 55 160 146 145 121 117 79 133 67 0.994 39.14 472.5 81 100 99 100 272 110.5 1.254 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2538 1842.6 8.1 scans 57% 123 m/z (159) 0.83% 0.0498% 5991 1.1 135 41721 2043897 1905969 1-2 12: 123 82 95 96 81 43 67 278 124 109 79 137 0.936 41.03 456.3 66 91 87 89 278 20.2 2.227 -1.780 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4498 1866.9 8.1 scans 31% 74 m/z (209) 1.4% 0.0223% 6024 1.0 89 24276 916750 833166 2-3 14: 74 87 144 75 143 256 102 88 73 211 225 101 213 260 0.783 39.45 505.4 69 97 76 95 256 13.9 2.447 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.7946 1909.7 9.1 scans 95% 68 m/z 0.036% 2.67% 6083 0.6 962 950680 109782704 104561871 3-1 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.998 39.94 540.6 80 99 99 99 278 50.3 0.273 -0.141 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8984 1922.5 7.4 scans 54% 58 m/z (253) 1.0% 0.0524% 6100 1.2 145 34348 2153202 2025235 0-3 7: 58 43 59 110 124 250 165 0.962 39.88 554.2 74 98 97 97 250 14.9 1.053 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2273 1963.3 10.3 scans 95% 105 m/z (239) 0.026% 3.48% 6156 0.7 1017 1314676 143139927 134682123 2-2 20: 105 161 91 69 41 120 93 81 55 107 79 77 133 121 67 187 106 117 95 92 0.999 40.24 589.4 79 100 100 100 272 105.4 1.073 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3064 1973.1 7.8 scans 35% 149 m/z (224 282) 0.35% 0.0290% 6169 1.1 106 98592 1192846 1119773 1-1 9: 149 223 150 76 104 167 205 75 50 0.643 40.31 598.2 65 93 73 95 223 28.7 7.368 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1110 Phytol 40.5761 2006.6 >6 scans 91% 81 m/z 0.012% 5.48% 6215 0.5 1643 2799647 15.7% 224914934 213662814 643954708 0-4 20: 81 95 82 123 68 79 67 57 41 83 69 124 109 96 278 97 111 110 137 53 1.000 40.66 -10.6 100 100 100 100 278 222.3 1.832 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.5998 2009.5 6.1 scans 2.6% 73 m/z (280) 1.7% 0.0143% 6219 1.1 79 19866 588532 548133 0-4 12: 73 281 295 369 283 341 327 268 401 296 297 282 0.550 40.63 629.4 61 93 64 92 369 14.7 3.454 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1254 Phytol 40.9345 2051.0 10.3 scans 78% 82 m/z (245) 0.022% 4.09% 6276 0.5 1106 1591125 168162553 160596047 2-1 20: 82 95 123 57 43 55 67 96 41 71 278 85 137 93 77 80 179 39 65 193 0.898 40.87 8.3 94 98 90 98 278 166.8 2.276 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BQLD_R~1-N1056 ?? Homosalate 41.0189 2061.5 8.6 scans 38% 138 m/z (158 245) 1.4% 0.0410% 6290 1.3 117 24513 1682735 1522313 0-5 6: 138 120 121 124 139 64 0.801 41.00 675.7 66 93 78 98 262 14.7 1.565 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2899 2095.1 8.1 scans 80% 79 m/z (113) 0.31% 0.260% 6336 1.0 306 110089 10694094 9862850 2-1 20: 79 67 93 95 80 41 91 81 55 121 108 69 77 94 109 107 191 135 105 82 0.975 41.26 4.1 88 88 94 96 264 16.3 0.282 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1010 ? Phytol 41.52min 41.4557 2115.6 7.9 scans 47% 82 m/z (205) 0.17% 0.222% 6364 1.1 289 204681 9128333 8592359 6-2 11: 82 95 96 123 67 43 81 278 71 83 124 0.902 41.52 721.7 75 100 95 98 278 49.2 2.893 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4799 2118.6 9.2 scans 54% 205 m/z (82) 0.42% 0.303% 6368 1.0 312 82384 12440186 11299065 2-1 20: 205 217 175 189 177 91 232 203 121 105 135 261 191 133 176 161 233 190 163 147 0.925 41.49 -78.0 80 97 87 97 276 18.4 0.349 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.6659 2129.3 13.0 scans 94% 159 m/z 0.012% 7.83% 6400 0.3 1403 2780935 321311501 312856512 1-1 20: 159 272 105 91 119 41 79 161 93 160 145 81 55 77 131 67 107 273 133 95 0.990 41.76 731.6 80 99 99 100 272 365.6 6.791 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1008 UNK diterpene 41.87min 41.8052 2137.1 8.6 scans 87% 272 m/z 0.052% 1.94% 6423 0.6 840 666714 79825576 72913929 2-2 20: 272 105 147 133 91 41 69 107 81 93 55 79 202 131 145 77 121 117 67 273 0.932 41.87 737.7 80 100 94 99 272 190.0 5.113 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 41.9510 2145.3 >9 scans 49% 133 m/z (121) 1.1% 0.107% 6448 1.0 195 29884 4414903 4238127 1-0 20: 133 107 91 105 120 147 134 106 81 136 148 77 135 69 229 92 123 95 109 117 0.936 42.05 -5.3 85 89 74 87 272 27.6 1.991 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0189 2149.1 8.2 scans 83% 74 m/z 0.030% 1.08% 6459 0.9 639 1155364 44639406 41920878 4-5 19: 74 87 43 143 55 75 227 41 270 57 83 129 59 239 97 101 88 171 199 0.962 42.01 747.1 77 97 92 97 272 0.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1092 ?? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 42.0720 2152.1 7.9 scans 51% 161 m/z (176) 0.21% 0.174% 6468 0.9 261 165457 7161878 7143667 1-0 20: 161 105 272 91 188 119 162 133 117 201 79 160 120 147 273 93 106 187 92 145 0.991 42.21 746.2 67 89 76 89 272 63.3 5.870 -0.135 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1090 ? UNK 42.45min 42.4150 2171.3 8.1 scans 58% 159 m/z 0.050% 0.412% 6526 0.6 391 690122 16938385 15310499 3-9 12: 159 105 160 91 41 69 145 93 158 79 77 106 0.794 42.45 760.7 79 100 79 98 272 8.5 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6571 2184.9 9.0 scans 71% TIC 0.80% 0.165% 6568 1.1 251 43492 6807106 6295712 1-2 0.894 42.40 14.5 90 91 85 90 272 24.7 0.966 0.258 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1112 Phyllocladene 43.2078 2215.8 8.9 scans 77% 187 m/z 0.024% 1.68% 6661 0.6 879 1408456 3.12% 69116033 68550898 127970617 2-0 20: 187 134 161 105 119 91 41 159 188 162 81 69 189 160 55 131 93 117 77 79 0.951 43.24 -1.6 100 100 95 99 272 205.3 5.448 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.2893 2220.4 8.1 scans 40% 159 m/z 0.027% 0.561% 6675 1.3 444 1296838 23011329 19887553 0-4 20: 159 186 160 129 157 270 128 143 144 41 131 199 158 115 141 171 117 142 187 161 0.598 43.31 792.8 75 98 63 97 270 97.2 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1238 Trachylobane 43.8271 2250.6 9.2 scans 52% TIC 0.27% 0.387% 6766 0.5 325 128480 15884462 14193331 1-6 0.599 44.15 -18.7 82 84 56 82 272 60.7 3.480 -0.327 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1234 ? Thunbergol 45.1630 2327.3 9.6 scans 55% 187 m/z (98) 4.4% 0.0431% 6993 1.4 109 7912 1767831 1600244 2-1 19: 187 147 109 270 41 105 135 162 69 161 201 133 159 43 93 95 91 119 71 0.817 44.90 15.1 71 82 78 85 272 7.3 0.000 0.262 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1016 ? UNK Terpene 45.79min 45.7758 2362.6 9.3 scans 82% TIC 0.32% 0.381% 7096 0.8 358 107484 15659932 14503817 2-2 0.931 45.79 886.6 77 99 94 99 429 8.5 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.1099 2381.8 8.2 scans 89% 79 m/z 0.062% 1.11% 7152 0.8 650 560636 45886896 42535193 2-5 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 135 69 59 78 109 122 0.977 46.13 -1.4 95 94 96 98 292 45.0 0.480 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N406_R~1-N1018 ? Geranyl-linalool/geraniol 46.2787 2391.5 8.1 scans 82% 69 m/z 0.30% 0.366% 7181 1.0 387 113745 15052390 14184472 1-2 20: 69 190 95 109 41 147 81 107 121 43 105 203 93 161 55 67 91 119 79 133 0.942 46.29 905.6 79 99 93 98 272 27.7 0.514 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7563 2419.0 8.2 scans 65% 74 m/z (157) 0.80% 0.0441% 7262 1.0 126 43678 1808841 1700932 3-4 19: 74 87 143 43 55 298 255 199 41 267 57 75 101 97 59 129 213 299 98 0.942 46.76 923.9 75 98 93 97 298 21.4 2.876 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4376 2515.8 8.8 scans 39% 148 m/z (191) 2.6% 0.00964% 7547 0.9 57 13233 395492 367478 2-1 11: 148 67 149 162 133 108 161 147 137 123 94 0.739 48.48 977.6 68 93 70 90 286 7.9 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9234 2543.7 7.6 scans 38% 73 m/z 3.1% 0.00675% 7629 1.1 53 11038 277149 269228 1-3 19: 73 147 221 430 429 281 356 282 207 149 341 357 295 325 431 401 74 208 267 0.686 48.95 993.3 74 97 64 94 429 15.0 8.077 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N406_REP6.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8385 2711.4 7.9 scans 36% 73 m/z 2.8% 0.00685% 8123 1.4 51 12103 281044 253444 3-4 19: 73 147 221 356 281 429 355 265 430 327 296 222 74 341 148 223 205 504 401 0.574 51.86 1080.5 69 93 53 89 503 8.3 2.718 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1569 772.5 7.6 scans 85% 77 m/z 0.080% 0.109% 46 4.0 296 947457 11481424 10377482 1-5 13: 77 45 78 79 62 76 59 75 63 61 47 46 92 0.994 4.37 18.5 100 100 99 100 77 254.1 73.791 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1014 ?? Contamination 6.52min 7.2284 852.4 >7 scans 20% 207 m/z (42) 4.2% 0.00312% 566 6.8 56 18107 329059 315082 0-2 4: 207 191 81 209 0.784 6.53 -124.4 65 90 43 94 207 35.1 39.873 0.700 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6859 864.4 8.9 scans 73% 55 m/z (101) 3.4% 0.0169% 644 1.5 113 22125 0.0276% 1787857 1732568 2904931 1-0 19: 55 69 83 41 39 42 57 98 97 70 53 58 56 80 51 68 54 81 50 0.972 7.71 9.1 96 98 97 98 98 25.2 4.975 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 11.0998 953.2 >6 scans 17% TIC 6.4% 0.00147% 1222 1.8 49 11880 155134 149345 0-1 0.386 6.03 -8.4 62 63 69 82 102 2.3 0.000 5.067 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2309 982.7 15.2 scans 59% TIC 0.71% 0.0608% 1413 1.5 179 106486 0.0669% 6407027 4756513 7041300 4-6 0.766 12.22 36.4 88 91 41 100 281 85.2 22.580 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6789 994.3 >10 scans 42% TIC 2.2% 0.00381% 1489 0.8 71 33774 401954 379503 2-0 0.801 13.22 30.7 91 96 77 95 110 22.8 10.385 -0.543 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9340 1001.0 8.3 scans 40% 41 m/z (119) 5.0% 0.0164% 1533 1.2 108 15206 1728593 1567891 3-5 19: 41 56 42 57 84 122 44 43 39 68 69 81 82 67 85 100 66 40 114 0.750 12.96 -173.8 65 90 87 97 110 16.4 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1078 ?? 2-Nonenal 13.6052 1019.2 8.9 scans 82% 69 m/z (71) 0.57% 0.0765% 1647 1.6 226 134108 8056580 7420077 1-5 15: 69 84 41 55 83 43 56 70 68 85 42 39 67 97 45 0.987 18.83 -33.5 62 67 74 71 122 17.0 0.566 -5.225 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1016 Limonene 13.9092 1027.5 8.5 scans 55% 93 m/z 1.5% 0.0322% 1698 1.3 153 49056 3390816 2841831 2-7 18: 93 68 67 124 53 94 79 136 121 77 92 107 123 91 105 95 81 51 0.704 13.89 52.2 85 98 84 97 136 30.7 4.017 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0987 1032.6 11.4 scans 88% 79 m/z 0.16% 0.265% 1730 1.5 384 465014 27896229 25608702 2-3 20: 79 108 107 77 51 91 78 50 80 90 89 39 109 65 63 53 52 105 74 62 0.989 14.11 53.6 92 100 99 100 108 169.8 19.519 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4476 1042.0 9.6 scans 59% 91 m/z 0.36% 0.0423% 1789 1.7 162 206859 4461592 3874841 5-4 16: 91 92 120 65 63 89 51 62 50 121 64 90 73 66 75 76 0.908 14.44 57.2 89 98 89 98 120 55.1 11.606 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1002 ? Undecane 14.8821 1053.8 7.4 scans 66% 71 m/z (82) 2.0% 0.0171% 1863 1.1 123 36584 1803406 1666077 2-1 17: 71 57 85 43 41 84 113 127 70 56 69 55 72 86 112 170 83 0.965 16.59 -46.2 70 79 89 82 156 0.0 0.000 -1.705 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1778 1061.8 12.0 scans 61% 105 m/z 0.24% 0.109% 1912 1.9 243 314374 0.126% 11529106 10583283 13261640 3-0 16: 105 77 123 51 50 106 78 75 124 74 76 95 79 49 63 47 0.949 15.17 64.4 88 99 95 99 123 87.6 13.011 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2044 1062.5 12.5 scans 34% 94 m/z 0.45% 0.0605% 1917 1.2 176 169860 6370571 5785939 2-4 16: 94 109 66 122 39 110 95 38 53 67 40 80 65 93 37 47 0.854 16.11 -207.7 78 98 85 98 109 98.9 31.701 -0.905 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN 98-86-2 ? Acetophenone 15.2728 1064.4 10.2 scans 35% 120 m/z (94) 0.95% 0.0257% 1928 1.5 124 80429 2711082 2363822 10-2 3: 120 125 107 0.933 15.29 -181.3 73 95 93 98 120 41.7 11.403 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4334 1068.7 9.0 scans 68% 95 m/z (93) 0.37% 0.0797% 1956 1.7 229 204427 8397051 7883257 1-4 13: 95 81 124 43 79 53 109 82 96 66 51 50 125 0.845 15.43 67.0 86 100 98 100 124 67.1 8.569 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7835 1108.3 8.8 scans 63% 57 m/z (267) 0.62% 0.0823% 2185 1.3 242 123198 0.0937% 8664305 7878908 9862029 8-0 15: 57 41 56 55 69 44 98 70 95 68 96 42 45 54 114 0.932 16.82 85.9 73 93 87 92 124 4.5 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 16.9612 1115.8 9.0 scans 39% 71 m/z (82) 1.0% 0.0245% 2215 1.2 130 71142 2583963 2373815 1-6 10: 71 95 110 58 128 72 70 156 96 129 0.822 16.97 91.1 67 91 78 91 128 35.0 7.273 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0604 1120.0 10.5 scans 53% 91 m/z 0.27% 0.0645% 2231 1.3 204 274814 6794608 6306037 2-3 20: 91 92 122 93 65 51 63 39 78 121 103 136 123 50 66 62 90 64 134 38 0.786 17.05 94.0 80 99 87 99 122 67.8 11.013 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1024 ? p-Cymene 17.7032 1147.2 8.3 scans 49% 119 m/z 2.5% 0.0114% 2340 1.3 98 29906 1203460 1067690 1-4 19: 119 91 134 117 105 79 92 118 120 53 93 133 65 103 104 51 106 78 115 0.817 13.76 -52.3 74 83 66 87 134 35.8 13.275 3.946 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0716 1162.7 10.5 scans 55% 73 m/z 0.92% 0.0321% 2402 1.8 143 82741 3382427 3138016 2-1 20: 73 355 267 356 357 268 269 155 323 191 74 249 177 192 270 340 237 163 193 252 0.879 18.13 -169.0 79 99 83 98 355 63.2 19.493 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1018 Pyranone 18.2245 1169.2 11.6 scans 83% 144 m/z 0.18% 0.226% 2429 0.4 379 409238 23801304 22041033 2-2 20: 144 43 44 101 72 73 55 45 115 42 58 53 102 74 71 56 54 85 116 39 0.980 18.22 125.7 80 99 97 100 144 161.8 18.200 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN M4942-N1002 Pyranone 18.2251 1169.2 11.3 scans 85% TIC 0.18% 0.212% 2429 0.4 383 418281 22369856 20860678 2-2 0.977 20.04 -221.3 80 99 96 99 144 163.6 18.234 -1.817 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.6979 1189.2 >7 scans 62% TIC 1.5% 0.0290% 2509 3.2 183 49441 0.0874% 3057393 2861895 9198947 0-2 0.921 19.87 120.9 69 88 84 96 144 2.7 0.000 -1.173 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 18.7162 1189.9 13.2 scans 45% 60 m/z 1.5% 0.0381% 2512 0.2 152 49590 4010765 3805592 1-1 19: 60 69 85 73 41 97 55 101 115 87 57 88 98 45 111 56 42 70 108 0.796 22.03 -119.2 70 94 82 93 175 0.0 0.000 -3.318 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1194 1207.0 8.5 scans 30% 82 m/z (105) 3.7% 0.00584% 2581 1.3 66 20452 614741 538453 0-4 4: 82 81 54 97 0.841 19.12 149.9 71 94 83 97 97 11.1 2.881 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8007 1235.8 8.0 scans 64% 57 m/z 0.38% 0.0590% 2696 1.3 230 196793 6217960 5697298 1-3 18: 57 45 41 75 87 56 89 100 59 72 101 85 58 44 60 132 73 62 0.926 19.81 168.3 78 98 94 99 144 0.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3284 1258.0 11.5 scans 56% 57 m/z (131) 1.2% 0.0317% 2785 0.9 136 61381 3341981 3189566 5-1 13: 57 43 41 97 56 84 98 139 58 112 70 140 126 0.905 20.32 0.3 91 97 92 96 170 14.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5286 1264.0 8.5 scans 69% 57 m/z 1.0% 0.0566% 2819 1.0 215 70804 5960121 5362757 3-2 20: 57 41 55 43 71 82 70 68 44 83 56 81 67 69 42 96 45 84 39 54 0.954 20.56 185.3 75 97 96 98 128 19.2 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1034 ? Decanal 20.5286 1264.0 8.5 scans 73% 57 m/z (85) 1.0% 0.0673% 2819 1.0 221 70702 7088293 6377856 3-2 20: 57 41 55 43 71 82 70 68 44 83 56 81 67 69 42 96 45 84 39 54 0.970 20.57 -143.0 74 94 96 98 138 11.6 0.275 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1024 ? Hexadecane 20.7712 1271.2 7.9 scans 50% 57 m/z 0.61% 0.0289% 2860 0.8 162 124878 3042188 2855507 2-1 17: 57 71 43 41 70 56 98 85 112 113 99 184 69 58 150 84 141 0.785 33.32 4.2 72 78 82 79 226 0.0 0.000 -12.548 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1006 ?? Arosol 20.9601 1276.9 13.2 scans 19% 94 m/z (97) 2.1% 0.0118% 2892 1.5 79 36314 1251958 1182316 4-1 5: 94 144 66 87 138 0.694 20.98 191.9 66 92 76 96 152 5.9 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9943 1277.9 8.8 scans 69% 137 m/z (94) 1.0% 0.0589% 2898 1.0 208 71070 6207899 5618178 3-1 20: 137 152 109 123 81 91 67 77 93 121 79 95 41 39 53 55 119 107 153 110 0.943 21.00 192.6 64 87 80 86 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.2895 1286.8 9.9 scans 20% 281 m/z (126) 3.0% 0.00965% 2948 1.6 72 24882 1015704 876689 3-3 8: 281 282 284 207 191 249 267 265 0.791 12.25 133.7 68 93 48 93 281 41.2 32.941 9.038 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1042 ?? Phytol 21.9625 1307.0 8.3 scans 47% 85 m/z (175) 1.6% 0.0252% 3062 1.1 141 45382 2653802 2421382 1-1 15: 85 71 69 84 151 81 109 155 113 124 112 97 68 140 110 0.967 35.35 9.6 66 65 80 75 196 0.0 0.000 -13.385 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0109 1308.4 8.5 scans 83% TIC 0.078% 0.205% 3070 0.9 397 977004 21621940 19393382 2-5 0.966 22.01 208.0 81 100 97 100 190 105.0 7.005 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.4595 1351.9 >21 scans 82% 73 m/z 0.21% 0.385% 3315 0.1 397 349636 40557641 37657519 1-13 20: 73 60 115 129 55 41 98 87 61 45 101 39 42 96 97 158 59 54 53 130 0.949 22.70 -123.4 76 95 93 99 158 26.2 0.438 0.764 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8338 1363.2 9.4 scans 54% 57 m/z (108) 0.90% 0.0448% 3379 1.1 167 84424 4718242 4253390 2-2 13: 57 71 85 41 55 83 84 56 70 42 98 97 58 0.802 23.86 -0.8 83 91 88 89 184 17.1 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.1018 1372.0 7.1 scans 58% 73 m/z 0.31% 0.0659% 3424 0.9 254 240670 6945644 6658116 1-2 20: 73 341 429 342 325 147 343 430 74 326 207 327 344 75 148 251 45 311 193 249 0.937 24.17 -151.8 80 99 91 99 429 73.5 8.393 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1030 ?? 7,10,13-Hexadecatrienoic acid, methyl ester 24.1479 1373.5 13.7 scans 49% 51 m/z (150) 2.4% 0.0477% 3432 1.0 148 31202 5020738 4315288 0-4 6: 51 63 52 136 50 101 0.807 41.24 -16.0 61 65 63 65 264 0.0 0.000 -17.092 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5505 1387.0 8.3 scans 66% 71 m/z 0.43% 0.0698% 3501 1.2 242 176053 7353379 6762058 2-3 19: 71 57 85 43 55 41 84 70 127 113 99 56 155 169 126 42 72 112 86 0.882 24.54 249.7 78 99 91 98 169 27.2 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7211 1392.7 10.3 scans 56% 43 m/z (123) 1.0% 0.0401% 3529 1.1 154 70448 4228244 3973123 1-1 19: 43 83 55 82 41 113 39 111 69 85 67 68 93 127 128 142 42 100 59 0.921 24.70 253.1 68 92 85 97 170 5.8 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4596 1417.4 19.1 scans 93% 84 m/z 0.010% 4.46% 3655 0.4 1333 7234438 470017759 441498296 0-3 20: 84 133 161 162 119 42 92 118 82 85 130 134 51 78 91 120 63 55 52 93 0.998 25.89 260.4 79 97 96 98 162 365.6 7.525 -0.432 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0175 1469.4 8.3 scans 87% 136 m/z 0.15% 0.464% 3918 0.8 625 490449 48878169 46000605 2-6 20: 136 121 43 69 93 109 161 95 81 79 41 107 176 67 91 123 77 55 105 179 0.969 27.02 296.0 81 100 97 100 208 10.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1037 1472.3 6.9 scans 23% 221 m/z 2.7% 0.00792% 3933 0.9 89 27408 833768 762235 1-3 16: 221 73 147 281 222 267 282 355 223 205 148 443 283 207 268 357 0.867 27.12 297.4 74 96 80 95 355 16.6 3.453 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1710 1474.5 7.7 scans 68% 57 m/z 0.49% 0.0432% 3944 1.1 209 153379 0.0605% 4552465 4373943 6367692 1-0 20: 57 71 43 85 41 55 56 70 99 198 42 84 98 112 69 113 86 127 83 126 0.934 27.21 -1.3 96 96 89 95 198 25.3 1.461 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1114 ? Caryophyllene 27.8433 1499.6 8.5 scans 68% 93 m/z 0.42% 0.197% 4058 0.9 401 178240 20787938 19569740 2-1 20: 93 133 91 71 79 69 41 57 105 120 43 77 107 70 55 119 161 85 106 81 0.804 27.84 314.2 79 100 81 99 204 30.0 0.561 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1032 Myosmine 27.9679 1504.3 11.5 scans 83% 118 m/z 0.090% 0.384% 4079 1.3 482 841729 40449795 36442600 2-3 20: 118 146 145 105 78 51 119 104 147 41 117 91 42 65 63 39 77 64 50 76 0.979 27.93 317.6 80 100 98 99 146 206.6 18.353 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1116 ? Tetrahydroionone 28.2200 1513.8 8.7 scans 47% 43 m/z 0.48% 0.121% 4122 1.0 320 157046 12782941 11708373 2-1 20: 43 123 95 69 81 82 41 55 109 67 111 83 107 94 138 68 163 96 122 53 0.635 28.22 322.9 71 100 69 96 194 41.2 1.659 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6615 1530.4 8.0 scans 78% 43 m/z (57) 0.14% 0.211% 4197 1.0 399 518471 22269369 19212120 7-12 19: 43 69 41 151 107 136 67 125 93 109 83 53 121 81 39 68 108 79 77 0.982 28.67 333.0 77 98 97 99 194 24.6 0.380 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9172 1540.0 8.7 scans 27% 133 m/z (57) 4.1% 0.0279% 4240 1.1 144 18273 2942000 2675249 1-3 19: 133 204 91 105 107 189 119 120 161 122 108 81 77 79 134 121 95 135 148 0.866 45.98 60.3 65 79 70 80 204 27.2 3.582 -17.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0972 1546.8 7.9 scans 71% 71 m/z (123) 0.24% 0.139% 4271 1.1 339 307278 0.208% 14633060 14120478 21892232 1-0 20: 71 57 43 85 70 41 141 55 56 113 112 99 84 97 177 42 140 72 58 155 0.976 29.10 342.9 66 89 93 89 227 7.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5270 1562.9 7.4 scans 86% 73 m/z 0.041% 0.770% 4343 0.9 846 1862785 81062561 76115011 2-2 20: 73 281 147 327 282 341 221 399 328 148 504 329 325 342 207 149 343 400 75 326 0.986 29.61 -150.2 80 99 97 99 503 135.8 2.576 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6639 1568.1 8.8 scans 63% TIC 0.063% 0.416% 4367 0.8 602 1198420 43826664 40527160 1-1 0.757 29.68 355.6 78 99 72 98 192 63.5 1.116 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7637 1571.8 >7 scans 61% TIC 0.12% 0.0538% 4383 1.0 293 588769 5664256 5261828 1-0 0.978 29.77 357.8 76 96 94 96 193 24.7 0.707 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1118 UNK Hydrocarbon double ring structure 29.8493 1575.1 8.7 scans 78% 105 m/z 0.066% 0.552% 4398 0.7 657 1142423 58187854 51192357 9-2 20: 105 91 161 93 107 121 133 79 119 94 106 77 204 80 95 81 124 148 108 67 0.950 29.85 360.0 81 100 96 100 204 100.3 2.334 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3286 1593.1 8.2 scans 35% 57 m/z (55) 0.55% 0.0408% 4479 1.3 187 137250 0.0494% 4303912 4174649 5199405 1-2 19: 57 71 43 85 99 212 98 70 42 113 126 179 58 140 154 72 86 127 155 0.970 30.38 -1.8 85 88 79 89 212 24.3 1.681 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5636 1602.7 8.0 scans 66% 191 m/z 0.072% 0.180% 4519 1.0 395 1061583 19018226 17272301 3-2 19: 191 206 192 57 74 163 175 115 91 73 207 88 128 147 77 117 60 133 193 0.905 30.50 377.9 79 99 90 99 206 107.0 7.330 0.066 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.9420 1618.6 9.3 scans 7.6% 162 m/z (161) 2.4% 0.00853% 4583 1.4 72 30676 898737 784212 6-1 3: 162 147 172 0.457 30.88 2.6 62 77 37 75 204 2.4 0.000 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2277 1630.6 10.1 scans 66% 111 m/z (196) 0.20% 0.179% 4631 0.8 347 374649 18880050 17963559 2-0 20: 111 137 109 180 110 67 124 152 95 77 79 39 112 65 93 165 81 91 138 51 0.816 31.18 395.6 75 97 88 99 180 78.1 5.075 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3470 1635.7 10.3 scans 87% TIC 0.085% 1.43% 4652 0.6 982 890261 150723129 144025792 2-1 0.940 31.35 398.2 80 100 97 100 194 204.9 4.353 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1128 Caryophyllene oxide 31.8995 1658.9 9.3 scans 88% TIC 0.13% 0.757% 4745 0.9 757 566600 79689534 74793796 2-2 0.971 31.90 413.1 81 100 97 100 220 54.0 0.509 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1102 ? UNK 31.99min 32.0595 1665.6 8.9 scans 48% 127 m/z (96) 0.027% 0.804% 4772 0.6 762 2783518 84689566 77615617 2-6 18: 127 85 75 129 74 128 59 98 126 45 101 100 87 143 169 216 113 153 0.895 31.99 418.4 75 98 87 98 129 185.6 5.930 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0825 1666.6 7.0 scans 0.68% 221 m/z 1.5% 0.00911% 4776 1.1 94 50977 959535 878031 3-1 20: 221 295 222 207 341 355 223 296 281 267 325 356 357 297 343 279 282 268 224 342 0.896 32.08 0.2 85 88 52 87 355 21.3 5.159 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1126 ? Diepicedrene-1-oxide 32.1167 1668.0 9.5 scans 73% 96 m/z (221) 0.079% 1.88% 4782 0.4 1099 958274 197885262 178476935 3-1 17: 96 79 138 83 123 82 120 67 94 107 93 91 77 110 105 122 131 0.894 32.12 419.0 75 96 94 100 192 140.5 1.634 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.2041 1671.7 8.6 scans 71% 109 m/z (57) 0.091% 0.667% 4797 0.9 714 839749 70275186 65561454 0-3 20: 109 43 163 191 206 107 69 91 137 93 121 77 79 41 149 147 105 136 119 164 0.851 32.20 421.4 78 100 84 99 206 134.5 3.547 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2425 1673.3 8.7 scans 12% 57 m/z (109) 0.92% 0.0447% 4803 1.0 178 82733 4706089 4230183 1-2 11: 57 183 113 99 182 211 141 100 184 140 226 0.299 32.24 0.2 64 81 58 84 226 7.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4467 1681.9 10.6 scans 16% 57 m/z (121) 1.2% 0.0284% 4838 0.6 125 63300 2991516 2838610 1-1 20: 57 71 56 197 43 196 83 97 159 160 70 104 111 84 195 113 131 51 166 132 0.433 32.44 0.2 71 90 49 86 226 5.7 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1122 Longipinocarvone 32.5961 1688.2 9.0 scans 89% 134 m/z 0.11% 0.881% 4863 0.6 835 671297 92822676 87004090 2-1 20: 134 91 79 41 135 93 133 107 77 105 92 175 67 119 109 53 95 147 39 121 0.980 32.60 432.0 81 100 98 100 218 36.5 0.191 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8730 1699.8 9.0 scans 84% 79 m/z 0.14% 0.781% 4910 0.7 768 542587 82207473 72133380 2-8 20: 79 93 91 41 95 69 43 107 77 106 67 96 55 81 121 110 83 94 39 119 0.954 32.87 439.5 79 100 96 100 206 53.2 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1210 ? Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9420 1702.7 >7 scans 37% 71 m/z 0.28% 0.0317% 4922 1.4 191 266527 3345123 2938966 1-1 20: 71 43 234 111 159 243 155 219 56 41 72 143 83 69 89 109 235 135 173 98 0.784 32.93 0.4 74 69 87 98 243 27.0 1.993 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1212 ? Hexadecene 33.0896 1708.9 9.0 scans 28% 83 m/z (109) 4.2% 0.0241% 4947 0.5 120 17848 2545622 2243592 2-2 14: 83 97 57 70 85 55 84 56 98 68 140 54 100 112 0.909 33.09 0.2 76 81 85 93 224 6.5 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3175 1718.5 7.8 scans 56% 57 m/z (203) 0.49% 0.0592% 4985 1.0 224 155645 0.0804% 6234318 5854438 8462190 0-1 20: 57 71 85 43 41 99 55 56 113 70 226 42 84 112 126 58 72 127 140 154 0.972 33.37 -2.3 93 96 95 98 226 24.6 1.210 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1104 ? UNK 33.53min 33.5802 1723.8 8.7 scans 69% 75 m/z (163) 0.19% 0.219% 5030 0.9 408 397261 23110422 21828217 2-6 13: 75 127 74 159 126 128 59 166 101 45 129 167 157 0.954 33.53 453.6 75 97 91 98 166 60.7 2.218 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.9114 1728.5 7.5 scans 40% 71 m/z (112) 1.9% 0.0165% 5086 0.8 121 38302 1736996 1613406 1-1 18: 71 57 85 43 70 197 55 196 99 56 41 113 140 168 127 141 42 155 0.948 33.90 0.2 91 96 93 96 197 22.3 3.417 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1132 Longifolenaldehyde 34.1369 1731.7 9.8 scans 91% TIC 0.046% 1.50% 5124 0.6 1026 1654933 158103817 143131949 4-10 0.991 34.14 452.5 81 100 99 100 220 146.4 2.035 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3925 1735.4 8.1 scans 81% 355 m/z 0.027% 1.40% 5168 0.7 1099 2803954 147866593 142582730 2-1 20: 355 73 221 147 281 401 357 222 415 327 403 207 148 223 385 416 325 417 341 191 0.970 34.39 452.4 80 100 96 100 415 133.8 1.484 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4964 1736.9 9.3 scans 77% 136 m/z 0.047% 1.10% 5185 0.7 963 1619209 116197683 108976223 1-1 20: 136 91 79 69 41 93 105 107 135 109 67 77 95 117 55 81 119 131 121 137 0.958 34.50 452.3 79 99 97 100 218 34.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.6056 1738.4 10.8 scans 75% 69 m/z 0.092% 1.02% 5204 0.5 827 823522 107694198 97528883 1-6 20: 69 123 163 196 125 82 43 83 71 67 81 109 41 55 68 138 72 124 58 139 0.902 34.61 452.1 79 100 94 100 6 0.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7579 1740.6 9.3 scans 46% 91 m/z 0.24% 0.0891% 5229 0.8 262 317426 9378894 8771475 2-2 18: 91 155 199 90 65 184 89 92 44 120 63 137 106 77 156 39 64 51 0.846 34.79 451.6 77 98 88 97 199 74.1 8.006 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9190 1742.9 17.1 scans 20% 68 m/z (109) 2.3% 0.0196% 5257 1.3 112 32478 0.0274% 2063301 1879682 2883881 3-0 7: 68 83 97 224 111 225 232 0.894 34.90 0.2 78 84 80 87 224 17.1 2.330 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1206 ? Spathulenol 35.3984 1749.8 9.5 scans 85% TIC 0.36% 0.415% 5338 0.9 553 207550 43712882 38793918 3-2 0.973 32.67 58.3 71 79 84 83 220 19.5 0.125 2.723 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1138 Nonenylsuccinic anhydride 35.6977 1754.1 12.2 scans 89% 71 m/z 0.032% 2.84% 5389 0.4 1289 2387129 299142162 278530967 2-5 20: 71 97 83 69 191 109 55 81 95 43 137 123 57 67 41 82 177 153 72 209 0.961 35.70 451.4 80 100 96 100 224 92.5 0.515 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1192 1760.1 10.6 scans 48% 85 m/z (163) 0.39% 0.128% 5461 1.4 285 193923 13521542 13005386 1-1 18: 85 57 71 99 113 127 155 70 141 169 126 86 211 239 198 197 128 156 0.949 29.94 543.7 72 92 95 98 254 0.0 0.000 6.178 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5436 1766.2 6.6 scans 14% 73 m/z (165) 2.4% 0.0104% 5532 0.7 98 31201 1100480 986438 5-1 16: 73 221 295 281 296 341 369 74 327 282 355 371 370 342 297 283 0.778 36.58 449.7 70 96 77 95 369 15.8 2.609 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.7042 1768.4 9.0 scans 84% 109 m/z 0.096% 0.501% 5559 0.7 631 793664 0.528% 52790376 49555142 55572588 6-4 20: 109 220 43 135 123 124 91 81 205 97 69 41 121 221 77 149 107 79 95 93 0.980 36.70 449.9 81 100 98 100 220 201.3 10.176 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2231 1775.9 8.3 scans 30% 209 m/z 0.56% 0.0333% 5647 1.0 170 136401 3507136 3229487 3-1 16: 209 224 181 210 165 167 105 166 103 179 77 225 194 115 182 89 0.672 37.20 449.6 76 99 76 98 224 58.1 11.657 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3105 1777.1 7.2 scans 26% 71 m/z 1.4% 0.0115% 5662 1.2 142 52372 1216691 1163792 1-0 20: 71 85 57 43 99 113 127 84 69 55 169 41 111 56 155 70 125 141 208 211 0.797 38.91 -22.9 72 80 77 78 254 0.0 0.000 -1.600 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9846 1786.8 9.6 scans 72% 109 m/z 0.20% 0.500% 5776 0.6 612 380072 52728756 47601991 2-2 20: 109 177 192 95 43 69 81 123 41 71 107 55 121 83 93 94 67 136 79 122 0.868 37.98 448.2 79 100 92 100 238 86.9 2.015 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0608 1787.9 9.3 scans 36% 57 m/z (95) 1.1% 0.0272% 5789 1.3 148 67885 2872195 2739176 0-1 17: 57 71 85 225 56 99 224 196 113 127 141 100 169 197 155 183 226 0.935 38.06 448.2 68 92 89 94 225 27.3 3.386 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5879 1795.4 8.4 scans 79% 73 m/z 0.10% 0.272% 5878 1.1 476 720191 28732080 26568757 2-2 20: 73 147 429 221 355 430 281 341 207 431 356 74 222 401 148 357 282 342 295 223 0.969 38.59 447.3 80 100 96 99 429 131.6 7.660 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4540 1867.4 7.7 scans 28% 74 m/z (119) 1.9% 0.0140% 6025 0.9 110 39905 1476126 1419929 2-2 12: 74 87 75 143 213 102 256 101 60 59 185 88 0.901 39.45 505.9 70 94 84 97 256 15.3 1.950 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.7668 1906.2 7.7 scans 82% 68 m/z 0.27% 0.240% 6078 0.9 476 281737 25297764 23804704 8-1 20: 68 95 82 57 69 123 55 43 83 81 67 41 71 97 96 109 56 85 70 79 0.977 39.94 537.1 77 97 96 97 278 22.8 0.229 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8973 1922.4 7.9 scans 81% 58 m/z (191) 0.20% 0.276% 6100 1.1 474 378518 29121328 27258647 1-3 19: 58 43 71 59 57 85 55 109 69 41 110 83 124 56 70 113 96 250 97 0.991 39.88 554.1 77 98 99 99 250 46.0 0.944 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.2007 1960.0 8.9 scans 36% 159 m/z 0.57% 0.0662% 6152 1.3 228 133231 6977553 6368715 8-2 11: 159 119 105 161 120 132 160 145 146 131 106 0.584 39.14 603.3 73 96 58 93 272 29.0 0.000 1.060 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2007 1960.0 8.9 scans 62% 159 m/z (135) 0.56% 0.125% 6152 1.3 299 134434 13179202 12029229 8-2 11: 159 119 105 161 120 132 160 145 146 131 106 0.973 40.24 586.1 76 98 96 98 272 28.7 0.920 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3147 1974.1 8.2 scans 25% 149 m/z (238) 0.50% 0.0227% 6171 0.9 132 151393 0.0262% 2399545 2208478 2757579 0-2 8: 149 150 223 104 76 167 224 205 0.798 40.31 599.2 72 97 90 98 223 28.8 4.719 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6211 2012.1 6.7 scans 10% 221 m/z 4.3% 0.00372% 6222 1.0 63 17394 391549 357442 1-3 11: 221 73 369 295 207 281 223 296 283 222 297 0.667 40.63 632.0 70 96 60 92 369 13.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 40.6582 2016.7 8.1 scans 31% 119 m/z (221) 3.3% 0.0178% 6229 1.4 118 22599 0.0192% 1883158 1712564 2020821 2-0 18: 119 189 105 272 145 161 159 187 133 173 131 142 201 115 174 117 162 118 0.528 41.87 617.3 63 90 55 89 272 22.0 3.473 -1.212 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1254 ? Phytol 40.8471 2040.2 >10 scans 27% 195 m/z (119) 3.8% 0.0184% 6262 1.1 120 19773 1938810 1938810 0-0 14: 195 124 177 137 100 221 246 211 58 127 138 86 179 125 0.841 40.87 -2.5 72 80 72 84 278 10.7 0.797 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1148 UNK 40.98min 40.9794 2056.6 9.5 scans 61% 245 m/z 0.058% 0.367% 6283 1.0 523 1305412 38720328 35715645 7-1 16: 245 122 246 43 135 91 123 260 95 77 79 131 136 145 115 133 0.825 40.98 671.1 80 100 87 100 260 72.0 1.896 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1144 Sclareoloxide 41.1287 2075.1 9.2 scans 91% 109 m/z 0.087% 1.14% 6309 0.6 934 879054 120683462 111195017 2-2 20: 109 81 191 95 262 123 43 121 177 107 69 55 79 93 67 137 71 135 91 136 0.995 41.13 687.3 81 100 100 100 262 177.2 3.600 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2610 2091.5 13.8 scans 20% 79 m/z (191) 0.30% 0.191% 6331 1.6 310 251810 20113288 18924113 2-2 20: 79 67 94 68 66 264 85 78 163 82 75 96 171 100 182 215 209 150 185 113 0.782 41.26 0.5 75 86 64 80 264 23.2 0.557 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1146 Methyl-b-ionone 41.2911 2095.2 9.3 scans 70% 191 m/z 0.031% 0.723% 6336 0.7 740 2390716 76110238 73154854 2-1 18: 191 80 119 121 192 43 135 105 107 189 109 91 95 136 69 83 149 77 0.817 41.29 704.8 80 100 82 99 229 63.0 0.724 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4629 2116.5 8.3 scans 66% 205 m/z 0.27% 0.240% 6365 0.7 447 282579 25269310 23865557 3-1 18: 205 57 217 175 189 220 177 55 232 261 191 203 192 115 206 163 218 233 0.865 41.49 -80.1 82 97 80 97 276 32.5 0.527 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.5750 2124.2 8.5 scans 86% 187 m/z 0.092% 0.614% 6384 0.8 718 828566 64721262 58701404 2-8 20: 187 159 105 91 119 41 79 161 93 160 81 55 188 77 67 273 107 131 95 133 0.988 41.76 726.5 80 99 97 99 272 181.6 6.400 -0.186 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.7439 2133.6 8.0 scans 43% 191 m/z (146) 2.2% 0.0591% 6413 1.2 220 34737 0.0715% 6220960 5960699 7525455 1-0 17: 191 189 119 80 272 105 121 192 91 133 147 95 190 93 135 161 77 0.777 42.05 -17.0 75 79 77 80 272 36.0 2.671 -0.301 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0213 2149.2 8.5 scans 88% TIC 0.030% 0.997% 6460 0.7 910 2485675 104980539 98254724 4-2 0.955 42.01 747.2 79 99 97 99 272 0.0 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3554 2168.0 7.7 scans 29% 73 m/z 0.81% 0.0277% 6517 1.2 158 94287 2918196 2701338 2-4 20: 73 147 281 221 355 429 207 503 341 282 356 283 222 74 504 415 430 295 505 342 0.877 42.37 759.0 73 95 85 97 503 26.4 2.769 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1090 ? UNK 42.45min 42.3997 2170.5 8.6 scans 22% 159 m/z 0.65% 0.0215% 6524 0.9 139 116312 2267172 2139448 2-1 7: 159 105 160 187 132 158 145 0.551 42.45 759.9 71 96 59 94 272 5.6 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6471 2184.3 9.4 scans 81% 147 m/z (137) 0.21% 0.683% 6566 1.3 662 350104 71919136 65896235 1-3 18: 147 69 105 91 41 93 107 119 161 81 79 133 82 121 77 67 229 135 0.989 42.40 13.9 90 92 90 91 272 64.9 0.960 0.248 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8855 2197.7 9.7 scans 43% 148 m/z (191) 0.35% 0.133% 6606 1.0 294 217109 14043765 12443143 6-1 6: 148 133 190 106 120 149 0.960 42.90 -1.0 91 93 89 94 272 32.6 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9753 2202.8 24.6 scans 51% 134 m/z (190) 0.61% 0.182% 6621 1.2 333 124617 0.329% 19159337 18516126 34627617 0-1 10: 134 119 135 133 272 147 109 108 273 120 0.957 42.99 -0.8 90 94 90 93 272 49.3 2.197 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1506 2212.6 12.1 scans 52% 121 m/z (187) 0.80% 0.207% 6651 0.9 339 94722 21888790 20710723 1-1 20: 121 91 41 81 93 133 69 79 55 77 57 109 117 67 108 120 203 148 129 43 0.898 43.15 -0.2 83 92 85 88 272 46.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1636 2213.3 10.3 scans 32% 134 m/z (121) 0.36% 0.114% 6654 0.6 262 212082 12100914 11466054 1-1 10: 134 161 105 119 272 188 273 204 257 190 0.823 43.24 -4.1 86 91 63 89 272 66.6 6.435 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2681 2219.2 8.9 scans 23% 159 m/z (263 246) 0.69% 0.0379% 6671 1.9 157 109491 3989723 3676722 1-1 12: 159 160 157 129 144 128 143 257 276 158 273 271 0.837 43.31 791.6 67 91 84 98 270 29.4 3.504 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1242 ? Kaur-15-ene, (5?,9?,10?)- 43.6518 2240.7 6.8 scans 34% 133 m/z (175) 2.4% 0.0245% 6736 1.0 158 31389 2581725 2567919 1-0 20: 133 148 91 119 41 105 69 177 93 134 107 121 79 81 106 147 67 55 272 120 0.931 43.66 -0.5 77 80 79 86 272 15.3 0.932 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.8159 2250.0 9.2 scans 75% 105 m/z (71 275) 0.71% 0.203% 6764 0.6 355 106793 21470337 20086739 2-1 20: 105 135 107 93 69 119 91 41 161 121 79 272 81 136 147 187 77 133 95 159 0.982 43.55 14.8 77 81 85 81 272 49.7 1.965 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N406_R~1-N1086 ? Verticiol 43.8159 2250.0 9.2 scans 71% 105 m/z (71) 0.68% 0.192% 6764 0.6 344 112147 20217951 18915059 2-1 20: 105 135 107 93 69 119 91 41 161 121 79 272 81 136 147 187 77 133 95 159 0.973 43.85 812.0 74 96 96 96 272 50.4 2.142 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1238 ? Trachylobane 43.8159 2250.0 9.2 scans 70% 105 m/z (275) 0.70% 0.191% 6764 0.6 343 107881 20128289 18831175 2-1 20: 105 135 107 93 69 119 91 41 161 121 79 272 81 136 147 187 77 133 95 159 0.945 44.15 -19.3 77 78 79 79 272 53.4 2.421 -0.338 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0396 2262.7 >10 scans 29% 109 m/z (245) 0.48% 0.0850% 6802 0.5 230 156193 0.203% 8947543 8406156 21365976 2-0 5: 109 191 192 273 268 0.864 44.05 -0.8 80 84 65 83 272 26.9 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5426 2291.6 9.6 scans 38% 191 m/z 1.3% 0.0275% 6887 0.8 155 55225 2898055 2603531 1-2 17: 191 109 121 95 107 105 135 81 79 91 132 192 93 133 55 97 110 0.742 44.55 -0.6 90 92 76 91 272 16.3 1.097 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0432 2320.4 8.2 scans 68% 191 m/z (254) 1.2% 0.0701% 6972 1.1 237 61065 7379332 6879102 1-1 20: 191 123 82 137 69 81 109 125 95 192 124 273 55 79 67 96 41 83 97 121 0.977 45.56 -30.0 76 81 91 83 290 7.2 0.092 -0.520 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1234 ? Thunbergol 45.1577 2327.0 11.1 scans 44% 123 m/z (137) 3.9% 0.0372% 6991 1.3 146 19607 3917113 3531164 0-3 9: 123 95 67 93 41 192 135 165 166 0.743 44.90 14.8 75 85 77 84 272 7.0 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1156 ? Sclareolide 45.5810 2351.4 11.5 scans 65% 123 m/z 0.13% 0.778% 7063 0.5 696 571257 81973209 77393806 2-2 20: 123 125 82 43 124 81 67 55 137 41 68 136 96 93 150 206 83 138 53 122 0.750 45.58 879.4 75 100 81 98 290 28.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1312 2383.0 10.0 scans 59% 79 m/z (191) 0.18% 0.377% 7156 1.2 492 418187 39748392 37402821 2-2 17: 79 67 80 108 93 94 91 77 59 78 87 68 122 66 74 136 65 0.950 46.13 -0.2 93 97 91 97 292 34.6 0.496 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7711 2419.9 7.8 scans 25% 74 m/z (289) 0.61% 0.0430% 7264 1.3 188 125135 4531314 4226886 2-5 15: 74 87 75 143 298 255 199 88 101 59 267 299 185 213 269 0.982 46.76 924.8 74 96 92 96 298 34.2 3.303 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8549 2424.7 8.9 scans 24% 191 m/z (245) 0.75% 0.0580% 7279 0.9 208 100948 6107174 5701690 2-3 2: 191 192 0.931 46.86 -0.2 94 98 91 97 290 24.0 1.328 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1264 ? Sclareol 46.5min 47.0450 2435.6 >11 scans 21% 177 m/z (83) 0.93% 0.0593% 7311 0.5 196 81756 6244418 5713725 6-0 20: 177 69 178 107 113 43 195 77 91 95 121 196 58 157 70 78 125 258 220 135 0.908 46.49 31.6 76 82 80 83 290 10.4 0.284 0.550 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1152 UNK 47.18min 47.1802 2443.4 11.4 scans 77% 109 m/z 0.056% 0.940% 7334 0.4 808 1351006 99028542 90297896 2-2 20: 109 43 81 95 123 93 137 235 69 55 127 121 107 67 217 124 110 91 71 94 0.980 47.18 939.0 80 100 98 100 278 75.4 0.871 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3119 2451.0 9.7 scans 72% 134 m/z (113) 0.15% 0.441% 7356 0.6 564 499239 0.527% 46472416 44309688 55467337 1-2 20: 134 119 84 81 191 69 95 79 135 55 93 43 109 41 178 121 123 105 91 107 0.994 47.36 -2.5 98 99 99 100 272 52.5 0.864 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1226 Sclareol 47.42min 47.3892 2455.4 9.6 scans 63% 177 m/z (108) 0.35% 0.179% 7369 1.4 358 218430 18887970 17947776 0-2 14: 177 195 95 71 69 290 121 137 96 125 113 178 135 83 0.961 47.42 -1.7 92 95 93 95 290 43.8 1.500 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9382 2487.0 9.9 scans 80% TIC 0.24% 0.287% 7462 1.0 476 313984 0.538% 30276992 26753286 56625100 10-0 0.919 47.95 -0.6 89 89 90 89 272 42.3 0.790 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1150 ?? UNK 46.46min 48.0114 2491.3 >11 scans 81% TIC 0.12% 0.261% 7475 1.0 465 607510 0.513% 27498022 26080706 53993822 0-8 0.940 46.47 1002.0 69 86 85 99 235 69.5 2.238 1.546 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN N407_R~1-N1154 UNK 48.48min 48.4801 2518.2 9.5 scans 94% 148 m/z 0.022% 1.34% 7554 0.6 990 3413460 141230860 132839260 2-2 20: 148 95 147 69 108 161 43 41 162 96 135 81 286 55 67 178 71 121 79 107 0.997 48.48 980.0 81 100 100 100 286 118.3 1.429 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9370 2544.5 7.5 scans 43% 73 m/z (115) 2.9% 0.00884% 7632 1.2 87 25793 930697 852833 2-3 18: 73 355 147 221 429 281 430 356 431 222 74 295 282 148 357 341 325 205 0.848 48.95 994.1 72 99 89 98 429 22.8 6.860 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9400 2544.7 7.6 scans 39% TIC 2.7% 0.00466% 7632 1.4 83 27592 490957 449436 0-2 0.745 51.86 913.8 72 94 68 92 503 6.9 0.000 -2.918 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6337 2872.3 9.3 scans 20% 73 m/z (57) 9.5% 0.00334% 8596 1.4 48 7968 351974 324428 3-3 12: 73 147 221 355 356 429 281 295 222 357 148 430 0.719 45.81 1395.8 66 94 74 92 503 6.6 1.916 8.822 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1030 Pentacosane 54.6644 2874.1 8.7 scans 65% 57 m/z (176) 2.0% 0.0202% 8601 1.6 117 36673 2128193 1975992 2-3 18: 57 71 85 43 99 55 113 41 56 83 84 111 98 42 72 86 126 140 0.914 54.79 -7.2 87 92 85 88 352 7.7 0.000 -0.126 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP1.FIN HCMIX_~1-N1034 Heptacosane 59.7897 3168.9 12.5 scans 65% 57 m/z 2.3% 0.0194% 9470 1.1 103 32860 2051221 1917825 2-4 19: 57 71 85 43 55 41 69 58 127 83 155 168 99 169 56 211 42 126 183 0.803 59.97 -10.2 83 88 72 83 380 6.3 0.000 -0.177 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1428 772.1 6.7 scans 86% 77 m/z (74) 0.078% 0.124% 43 3.8 290 899582 11068001 10366903 0-4 14: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 0.998 4.37 18.1 99 100 100 100 77 246.5 72.386 -0.228 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1252 823.7 10.1 scans 30% 57 m/z (44 83) 2.2% 0.00794% 379 0.9 62 31358 0.00923% 704661 628444 818831 0-4 4: 57 39 85 69 0.845 6.03 -137.9 60 90 80 92 102 4.7 0.000 0.092 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 7.1783 851.1 >6 scans 28% TIC 4.5% 0.00298% 558 12.8 60 15667 264603 239610 0-2 0.637 6.53 -125.7 70 91 40 96 207 32.5 28.971 0.650 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6299 862.9 9.1 scans 65% 69 m/z (95) 6.0% 0.0112% 634 1.8 81 11662 0.0157% 1001518 951663 1392811 1-0 15: 69 41 55 83 42 98 39 57 56 70 80 79 68 53 50 0.956 7.71 7.6 94 98 96 97 98 19.9 6.009 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2097 982.1 11.3 scans 41% 281 m/z 0.67% 0.0390% 1409 2.0 132 104362 3465862 2811128 5-5 20: 281 43 282 108 283 71 41 69 55 265 249 99 193 58 65 133 207 203 267 134 0.605 12.22 35.8 91 97 63 99 281 84.0 40.419 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6560 993.8 9.2 scans 58% TIC 1.5% 0.00832% 1485 1.5 87 44191 0.0113% 738315 707488 1002469 5-0 0.916 13.22 30.2 91 93 85 96 110 26.0 8.925 -0.566 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 13.6076 1019.3 12.8 scans 89% 43 m/z (71) 1.5% 0.0488% 1647 1.0 146 45942 4335384 4112216 1-4 11: 43 57 70 94 44 72 53 52 58 122 86 0.980 18.83 -33.4 63 68 74 73 122 18.0 1.508 -5.222 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1016 Limonene 13.8898 1026.9 8.6 scans 67% TIC 1.0% 0.0443% 1694 1.2 177 69606 3930815 3670530 2-1 0.793 13.89 51.6 88 99 89 98 136 34.8 3.874 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0769 1032.0 11.2 scans 87% 79 m/z 0.23% 0.198% 1726 1.6 307 300963 17568770 16198345 2-3 20: 79 108 107 77 51 91 78 50 90 89 65 63 39 109 52 53 105 74 80 62 0.984 14.11 53.0 92 100 99 100 108 135.8 19.537 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4311 1041.6 10.3 scans 62% 91 m/z (81) 0.38% 0.0555% 1786 1.8 159 183702 4925476 4354808 6-3 14: 91 92 120 65 63 89 121 62 90 50 64 74 75 61 0.949 14.44 56.8 88 100 98 100 120 51.5 10.450 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1607 1061.4 11.5 scans 66% 105 m/z 0.22% 0.111% 1910 1.5 242 314265 0.159% 9861245 9578123 14105534 1-0 20: 105 77 123 51 46 50 106 74 78 124 76 52 75 64 79 107 90 49 63 93 0.941 15.17 64.0 89 99 96 99 123 86.3 12.717 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1838 1062.0 11.8 scans 24% 94 m/z 0.62% 0.0419% 1914 1.3 137 112071 3721430 3360917 2-4 10: 94 109 66 39 110 38 53 40 64 93 0.849 16.11 -208.2 77 98 80 97 109 79.4 33.379 -0.925 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN 98-86-2 ? Acetophenone 15.2511 1063.8 >13 scans 65% 105 m/z (94) 0.36% 0.0752% 1925 1.2 189 194253 0.146% 6678217 6267229 12952251 0-2 18: 105 77 120 51 78 50 106 43 74 62 75 76 89 49 91 86 63 65 0.955 15.29 -181.9 77 98 97 99 120 63.6 11.343 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4199 1068.4 9.1 scans 65% 95 m/z 0.21% 0.126% 1954 1.6 272 334147 11226413 10094241 2-4 17: 95 81 124 43 79 53 109 39 41 82 65 96 66 51 67 50 52 0.819 15.43 66.7 87 100 84 99 124 85.8 9.937 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1002 ? Undecane 16.5870 1100.0 8.9 scans 67% 71 m/z (59) 1.5% 0.0316% 2151 1.3 139 46122 2809468 2609640 1-1 19: 71 57 43 85 41 55 93 84 69 56 113 80 92 39 72 99 121 67 98 0.938 16.59 -0.0 79 80 85 92 156 10.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7765 1108.0 8.9 scans 60% 57 m/z (267) 0.86% 0.0647% 2183 1.0 192 81150 5740867 5048590 3-2 16: 57 41 56 55 70 44 69 68 95 96 42 114 45 54 99 112 0.869 16.82 85.6 75 96 84 95 124 4.2 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9524 1115.4 8.7 scans 64% 71 m/z (81) 0.57% 0.0659% 2213 1.4 196 122052 5851289 5180296 2-3 14: 71 95 110 43 58 128 84 57 72 70 59 113 96 129 0.901 16.97 90.7 77 96 94 98 128 47.2 5.819 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0445 1119.3 10.1 scans 39% 91 m/z 0.32% 0.0472% 2229 1.5 163 214260 4194700 3811423 9-4 19: 91 93 92 77 122 65 121 78 51 39 63 89 50 134 123 136 94 103 104 0.561 17.05 93.3 74 99 76 97 122 51.2 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1024 ? p-Cymene 17.6944 1146.8 8.3 scans 74% 119 m/z 0.71% 0.0528% 2339 1.2 190 98427 4688884 4172492 3-5 19: 119 91 134 77 79 105 117 92 39 93 65 78 120 51 104 115 106 135 53 0.925 13.76 -52.7 75 82 71 88 134 64.9 11.716 3.937 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0640 1162.4 9.4 scans 66% 73 m/z 0.66% 0.0478% 2401 1.7 166 106102 4248559 3955507 2-1 20: 73 355 267 356 357 269 193 323 74 268 339 249 207 75 223 191 179 270 163 250 0.906 18.13 -169.3 79 99 86 99 355 72.5 19.127 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN M4942-N1002 Pyranone 18.2352 1169.6 12.8 scans 83% 144 m/z 0.14% 0.360% 2430 0.3 414 489031 31944010 29740781 1-2 20: 144 43 101 44 72 73 55 45 115 145 42 58 71 53 39 56 102 74 54 41 0.980 20.04 -220.9 80 99 96 99 144 178.4 18.583 -1.807 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7157 1189.9 >14 scans 27% 69 m/z 1.9% 0.0234% 2512 0.0 112 35451 0.0458% 2080828 1971654 4063103 1-0 13: 69 55 129 43 84 41 110 56 86 89 98 97 108 0.738 18.71 139.1 65 88 65 86 153 5.3 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1004 ? Octanoic acid 18.8007 1193.5 20.7 scans 70% 60 m/z (96) 0.93% 0.132% 2527 0.2 211 75484 11768673 10410134 0-10 20: 60 69 85 41 55 73 101 57 115 97 43 87 45 82 88 83 71 39 108 56 0.916 19.87 125.2 70 93 85 98 144 3.1 0.000 -1.070 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 18.8007 1193.5 20.7 scans 67% 60 m/z (136) 0.86% 0.127% 2527 0.2 208 81633 11352391 10041907 0-10 20: 60 69 85 41 55 73 101 57 115 97 43 87 45 82 88 83 71 39 108 56 0.918 22.03 -115.6 72 95 93 98 175 0.0 0.000 -3.233 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1177 1206.9 8.2 scans 42% 82 m/z (114) 1.8% 0.0106% 2580 1.2 85 38250 947528 884264 2-3 3: 82 81 54 0.936 19.12 149.8 74 95 90 97 97 13.3 2.459 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.7264 1232.6 17.9 scans 20% 105 m/z (60) 1.1% 0.0456% 2683 1.0 116 60002 4051198 3693210 1-2 14: 105 122 77 128 51 78 123 66 76 38 37 49 104 69 0.694 20.03 161.9 68 89 82 93 122 53.9 21.724 -0.303 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.7948 1235.5 8.4 scans 45% 57 m/z (60) 0.60% 0.0474% 2695 1.2 167 117450 4210435 3645312 6-5 8: 57 45 75 89 100 58 132 46 0.938 19.81 168.0 69 94 90 93 144 2.6 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3285 1258.0 11.6 scans 60% 57 m/z (132) 1.2% 0.0356% 2785 0.9 130 56467 3161336 2892721 5-2 14: 57 71 99 84 56 55 69 97 86 112 126 70 140 139 0.939 20.32 0.3 89 96 91 95 170 12.5 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1024 Hexadecane 20.3303 1258.0 19.7 scans 58% TIC 1.1% 0.0267% 2785 0.8 128 59336 0.0372% 2377208 2326558 3300163 0-1 0.736 33.32 -9.0 81 83 79 88 226 0.0 0.000 -12.989 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5227 1263.8 8.7 scans 65% 57 m/z (110) 1.7% 0.0493% 2818 1.0 167 40754 4377379 3792364 4-2 19: 57 41 55 71 82 70 68 44 56 81 112 83 69 45 67 84 88 96 42 0.967 20.56 185.1 73 93 95 99 128 17.6 1.102 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1034 ? Decanal 20.5227 1263.8 8.7 scans 65% 57 m/z (106) 1.7% 0.0493% 2818 1.0 167 41352 4373601 3789092 4-2 19: 57 41 55 71 82 70 68 44 56 81 112 83 69 45 67 84 88 96 42 0.973 20.57 -143.2 73 94 95 99 138 8.4 0.254 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9495 1276.6 11.9 scans 42% 94 m/z (137) 0.70% 0.0379% 2890 1.4 133 99595 3370263 3127507 2-2 6: 94 66 87 45 139 143 0.891 20.98 191.6 75 96 96 99 152 5.4 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9903 1277.8 8.7 scans 68% 137 m/z (60) 0.73% 0.100% 2897 1.0 250 95451 8916665 8158227 3-1 18: 137 152 109 123 91 81 67 121 79 41 39 53 119 107 55 65 153 110 0.807 21.00 192.5 72 96 75 95 155 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.2854 1286.7 12.3 scans 17% 97 m/z (121) 3.5% 0.0119% 2947 1.3 69 20032 1055817 889965 4-2 12: 97 282 283 207 126 193 71 267 191 57 249 127 0.737 12.25 133.6 65 89 44 93 281 36.8 28.568 9.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0074 1308.3 8.6 scans 81% TIC 0.072% 0.247% 3070 1.0 393 974648 21940567 19551456 3-3 0.963 22.01 207.9 81 100 97 100 190 104.4 7.041 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8958 1335.0 8.5 scans 64% 69 m/z (71) 0.27% 0.142% 3220 1.3 290 259919 12632344 11534569 2-4 9: 69 109 86 110 128 95 108 87 59 0.964 22.91 221.4 69 92 87 93 127 31.9 1.209 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.6090 1356.4 >22 scans 81% 60 m/z (54 71) 0.14% 0.625% 3341 0.1 436 481224 55463815 53762047 0-3 20: 60 73 57 115 55 129 43 41 98 69 87 45 39 101 61 56 42 83 74 84 0.986 25.35 207.2 71 93 92 97 162 0.0 0.000 -1.745 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.6090 1356.4 >22 scans 84% 60 m/z 0.15% 0.591% 3341 0.1 444 462856 52461222 50851582 0-3 20: 60 73 57 115 55 129 43 41 98 69 87 45 39 101 61 56 42 83 74 84 0.967 22.70 -118.9 77 96 95 99 158 30.3 0.465 0.913 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8339 1363.2 9.9 scans 32% 57 m/z (125) 1.0% 0.0319% 3379 1.0 124 69497 2837676 2521658 1-2 13: 57 71 85 41 70 184 84 56 42 127 98 154 58 0.658 23.86 -0.8 81 90 65 87 184 17.4 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0978 1371.9 7.4 scans 67% 73 m/z 0.24% 0.102% 3423 1.0 283 289349 9078182 8718088 1-2 20: 73 341 429 342 147 325 343 430 431 326 207 74 327 344 432 148 251 191 75 45 0.946 24.17 -151.9 80 100 92 99 429 84.1 8.823 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5488 1386.9 8.3 scans 67% 71 m/z 0.43% 0.0785% 3500 1.3 232 162839 6969581 6164268 2-3 18: 71 57 85 43 41 84 113 55 99 70 127 56 155 169 42 72 86 141 0.884 24.54 249.6 77 99 89 98 169 26.9 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7188 1392.6 10.4 scans 55% 43 m/z (123) 0.85% 0.0582% 3529 1.0 169 82108 5169002 4666716 1-2 18: 43 83 55 82 58 41 113 56 85 69 111 70 127 128 142 112 100 42 0.958 24.70 253.0 68 90 86 97 170 5.5 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4786 1418.0 21.9 scans 95% TIC 0.010% 5.53% 3658 0.5 1283 6813759 491217906 475821080 0-2 0.998 25.89 261.0 78 97 96 98 162 350.3 7.459 -0.413 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5323 1453.2 7.3 scans 8.3% 73 m/z (146) 5.8% 0.00454% 3837 1.0 57 12151 403110 363729 1-3 14: 73 267 355 268 193 356 281 269 75 59 251 74 357 207 0.340 18.09 411.6 64 91 75 97 355 23.5 17.009 8.440 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1112 ? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0093 1469.1 8.2 scans 82% 136 m/z 0.37% 0.208% 3917 1.0 389 187326 18525284 17148349 6-4 20: 136 121 43 69 93 161 109 95 81 79 41 107 176 67 91 123 77 105 179 55 0.975 27.02 295.7 79 99 95 98 208 13.4 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0972 1472.1 6.6 scans 38% 221 m/z 1.8% 0.0133% 3932 0.9 107 37240 1187939 1086550 1-3 17: 221 73 147 281 222 267 355 148 223 74 283 444 356 207 357 191 265 0.877 27.12 297.2 75 97 85 96 355 20.3 3.595 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 7.8 scans 72% 57 m/z (121) 0.52% 0.0604% 3944 1.1 201 134912 0.0818% 5362743 4888157 7256809 2-0 20: 57 71 43 85 41 55 56 99 70 198 42 84 98 113 112 69 126 83 127 39 0.991 27.21 -1.3 96 98 97 98 198 24.8 1.522 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1114 ?? Caryophyllene 27.8387 1499.5 8.2 scans 63% 71 m/z (82) 0.67% 0.113% 4057 1.1 269 104552 10082498 9103489 3-2 18: 71 57 43 70 85 41 133 69 55 169 99 120 105 56 161 113 119 147 0.841 27.84 314.1 68 92 71 93 204 15.5 0.333 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1032 Myosmine 27.9839 1504.9 11.8 scans 88% 118 m/z 0.071% 0.548% 4082 1.0 520 983967 48647854 44669909 2-4 20: 118 146 145 58 105 78 51 119 104 41 63 91 65 117 147 42 77 39 64 50 0.992 27.93 318.2 80 99 99 99 146 221.9 18.192 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1116 ?? Tetrahydroionone 28.2177 1513.7 9.1 scans 40% TIC 0.95% 0.0684% 4122 1.2 221 73532 0.0744% 6073273 5789474 6600325 1-1 0.558 28.22 322.8 66 98 63 95 194 33.2 2.256 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6587 1530.3 8.1 scans 77% 43 m/z (166) 0.14% 0.228% 4196 0.9 384 478824 20233886 17905761 9-1 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 68 39 81 79 108 77 91 0.979 28.67 332.9 77 99 98 99 194 23.7 0.382 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9119 1539.8 9.5 scans 23% 119 m/z (57) 5.8% 0.0265% 4239 1.5 119 12105 2353054 2114305 2-2 19: 119 204 91 133 105 120 161 122 79 108 95 135 134 147 148 109 94 77 53 0.846 45.98 60.1 63 78 69 79 204 22.6 3.615 -17.063 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0955 1546.7 7.7 scans 74% 71 m/z (179) 0.21% 0.164% 4270 1.1 345 324750 0.254% 14628565 14015670 22533368 1-0 20: 71 57 43 85 70 41 55 141 113 56 112 99 84 97 183 42 69 140 155 72 0.989 29.10 342.8 64 87 93 87 227 6.5 0.035 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5217 1562.7 7.1 scans 56% 73 m/z 0.16% 0.180% 4343 1.1 380 439292 16002654 14738879 3-3 20: 73 281 147 327 282 415 341 503 283 399 221 328 148 416 504 74 329 325 417 505 0.969 29.61 -150.4 79 99 94 99 503 62.2 2.685 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1022 ?? Nicotyrine 29.6433 1567.3 >10 scans 4.4% 139 m/z (60) 0.80% 0.0295% 4363 0.9 146 88101 0.0527% 2623123 2623123 4675230 0-0 6: 139 208 165 180 126 153 0.937 29.68 354.7 62 86 70 89 158 77.1 27.929 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6728 1568.4 8.5 scans 61% 177 m/z 0.030% 0.724% 4368 0.6 715 2306389 64316535 60371495 2-1 20: 177 43 178 135 91 77 93 105 159 79 121 107 133 95 122 41 192 119 109 39 0.675 29.68 355.9 72 96 52 92 192 88.1 1.521 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7673 1572.0 16.5 scans 70% TIC 0.069% 0.140% 4384 1.3 380 1013015 0.230% 12420546 12420546 20404231 0-0 0.975 29.77 358.0 76 96 94 96 193 32.1 0.712 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8346 1574.5 8.5 scans 49% 105 m/z (85) 0.34% 0.114% 4396 1.0 271 207302 0.162% 10123525 9697074 14371676 0-1 20: 105 161 91 93 107 133 94 119 106 80 189 77 147 148 162 95 124 145 81 108 0.951 29.85 359.4 76 99 97 99 204 43.1 2.516 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9491 1578.8 8.6 scans 74% 71 m/z 0.12% 0.311% 4415 0.6 449 571337 27652547 24887879 2-4 20: 71 85 57 43 99 113 41 69 55 127 70 84 155 56 83 169 86 126 72 112 0.925 29.94 362.4 76 96 92 98 254 12.2 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3281 1593.1 8.6 scans 42% 57 m/z (191 112) 0.50% 0.0568% 4479 1.3 202 139655 0.0878% 5046989 5046989 7789093 0-0 17: 57 71 43 85 41 56 99 70 42 98 212 140 72 126 58 86 97 0.967 30.38 -1.8 84 88 93 91 212 26.8 1.752 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5560 1602.4 8.7 scans 82% TIC 0.038% 0.406% 4518 1.0 530 1818878 36064820 32250758 3-2 0.971 30.50 377.6 80 99 97 99 206 140.6 7.037 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8370 1614.2 8.5 scans 20% 124 m/z (71) 2.1% 0.0113% 4565 0.9 86 32720 1010018 962133 3-1 3: 124 137 180 0.833 30.81 384.8 63 89 68 90 180 24.7 8.235 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.9291 1618.1 9.6 scans 13% 162 m/z (161) 2.0% 0.0134% 4581 1.7 79 33614 1194146 1042519 5-2 2: 162 147 0.570 30.88 2.1 65 77 48 74 204 2.7 0.000 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9468 1618.8 8.7 scans 3.8% 171 m/z (71) 8.8% 0.00268% 4584 1.4 37 7937 238308 204286 5-4 2: 171 172 0.285 30.93 0.8 75 87 59 94 171 23.2 38.546 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2319 1630.8 >13 scans 78% TIC 0.10% 0.407% 4632 0.7 471 669943 36110172 34339808 2-0 0.949 31.18 395.8 77 97 92 97 180 102.5 4.727 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3382 1635.3 9.8 scans 80% TIC 0.11% 1.06% 4650 0.7 798 592945 94463347 85469841 1-3 0.895 31.35 397.8 80 100 96 100 194 167.3 4.398 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5489 1644.1 10.7 scans 37% 43 m/z (79) 0.46% 0.0689% 4686 0.8 190 152642 6118401 5701645 2-0 16: 43 98 166 151 111 58 142 113 68 197 114 44 168 169 165 152 0.603 31.52 1.4 79 87 76 90 166 40.9 4.631 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8057 1654.9 9.5 scans 40% 193 m/z (237) 3.1% 0.0214% 4729 1.0 110 22363 1901287 1701088 2-3 4: 193 208 197 194 0.680 31.80 0.4 62 65 44 89 208 12.5 1.288 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1128 Caryophyllene oxide 31.8943 1658.7 9.5 scans 85% TIC 0.17% 0.631% 4744 1.0 636 411314 56041126 52114718 2-2 0.962 31.90 412.9 80 99 96 99 220 46.2 0.529 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1102 ? UNK 31.99min 32.0454 1665.0 8.6 scans 54% 127 m/z (96) 0.031% 0.763% 4770 0.7 691 2226297 67733371 62476960 2-5 20: 127 85 75 129 74 128 59 98 126 84 45 101 100 42 143 169 87 216 113 99 0.844 31.99 417.8 74 97 87 98 129 166.2 5.780 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.1292 1668.5 >17 scans 28% 208 m/z (109) 0.77% 0.158% 4784 0.7 258 91601 0.331% 14079963 13396815 29364350 3-0 2: 208 180 0.522 32.12 419.5 61 89 45 87 192 33.5 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1936 1671.2 8.6 scans 69% 109 m/z (57) 0.10% 0.577% 4795 0.9 607 655078 51189183 48091091 1-2 20: 109 43 163 191 206 107 69 91 93 81 121 77 79 149 135 147 105 136 164 65 0.798 32.20 420.9 76 100 78 98 206 120.6 3.939 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2378 1673.1 9.0 scans 27% 57 m/z (169) 0.63% 0.0791% 4802 1.2 209 111559 7023299 6631669 1-1 11: 57 85 183 113 99 182 211 141 226 184 100 0.519 32.24 -0.0 68 91 72 90 226 8.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1122 Longipinocarvone 32.5885 1687.8 8.6 scans 89% 134 m/z 0.11% 0.891% 4862 0.7 779 590914 79098402 74726518 2-1 20: 134 69 91 79 41 135 93 133 77 107 105 92 67 119 109 53 147 39 95 121 0.977 32.60 431.6 81 100 98 100 218 34.8 0.199 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8600 1699.2 8.7 scans 76% 79 m/z 0.26% 0.379% 4908 0.8 528 270675 0.424% 33700603 32727704 37614756 2-1 20: 79 93 91 41 69 95 43 109 107 77 55 106 82 121 81 105 110 39 53 135 0.906 32.87 438.9 79 99 90 98 206 44.5 0.710 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9362 1702.4 7.5 scans 40% 71 m/z 0.28% 0.0320% 4921 1.2 176 248795 2846917 2583410 1-1 20: 71 43 111 159 234 243 155 72 56 173 143 41 69 83 219 89 55 73 98 175 0.839 32.93 0.1 94 98 94 99 243 27.3 2.414 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0861 1708.7 8.5 scans 32% 83 m/z (109) 3.5% 0.0278% 4947 0.5 122 20123 2468400 2340316 1-1 13: 83 97 57 85 70 55 56 84 98 42 54 196 88 0.908 33.09 0.0 84 92 90 94 224 6.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3158 1718.4 7.3 scans 70% 57 m/z (218) 0.32% 0.0962% 4985 0.8 273 216374 0.117% 8539988 8539988 10379544 0-0 18: 57 71 85 43 41 99 55 56 70 113 127 84 226 42 112 98 58 155 0.965 33.37 -2.4 95 98 98 99 226 29.3 1.157 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1104 ?? UNK 33.53min 33.5672 1723.6 8.6 scans 53% 75 m/z (70) 0.25% 0.156% 5028 0.9 312 279906 13888742 12838983 3-7 12: 75 127 74 159 126 128 166 101 59 45 129 167 0.961 33.53 453.4 68 91 77 90 166 52.2 2.808 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.9049 1728.4 7.2 scans 52% 71 m/z (247) 1.3% 0.0302% 5085 1.0 152 51320 2680004 2512278 1-1 19: 71 57 43 85 70 169 197 41 168 55 99 56 113 141 127 167 84 196 72 0.953 33.90 0.1 85 88 91 94 197 26.5 3.030 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1132 Longifolenaldehyde 34.1304 1731.6 9.1 scans 89% 109 m/z 0.053% 1.30% 5123 0.6 910 1308627 1.33% 116082470 108008469 117989684 4-3 20: 109 95 121 107 191 91 135 119 105 69 93 81 220 41 137 55 77 79 97 123 0.986 34.14 452.4 81 100 98 100 220 131.9 2.100 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3872 1735.3 8.3 scans 85% 355 m/z 0.020% 2.07% 5167 0.6 1209 3490038 183956805 172787189 2-2 20: 355 73 221 147 281 356 401 222 415 327 267 207 283 74 385 416 325 341 75 417 0.973 34.39 452.3 80 100 96 100 415 148.6 1.511 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4852 1736.7 9.1 scans 80% 136 m/z 0.050% 1.14% 5183 0.7 903 1389934 101316912 97065309 1-1 20: 136 91 79 41 69 105 93 107 109 95 67 77 55 119 81 117 121 131 137 133 0.970 34.50 452.1 77 97 97 98 218 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5749 1738.0 10.0 scans 69% TIC 0.19% 0.500% 5198 0.9 586 368385 44423753 42424162 0-1 0.815 34.61 451.7 79 99 97 100 6 0.0 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7721 1740.8 9.9 scans 63% 91 m/z 0.11% 0.242% 5232 0.6 378 625720 21537339 20327626 4-2 19: 91 155 199 90 65 184 92 89 44 120 63 137 106 77 39 51 156 200 85 0.886 34.79 451.8 79 99 93 99 199 106.4 7.919 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9114 1742.8 8.4 scans 23% 68 m/z (79) 2.0% 0.0252% 5256 1.5 121 34427 2242101 2076648 3-3 4: 68 224 154 225 0.571 34.90 0.1 80 90 80 89 224 16.9 1.957 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1206 ? Spathulenol 35.3849 1749.6 9.4 scans 82% TIC 0.40% 0.407% 5336 0.9 500 173932 36171482 32280169 3-4 0.951 32.67 58.1 70 79 79 83 220 17.8 0.127 2.710 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6682 1753.6 10.5 scans 84% 71 m/z 0.047% 1.74% 5384 0.6 985 1485379 154466366 138695557 1-8 20: 71 97 83 69 109 55 191 81 95 67 57 41 137 82 153 177 72 206 136 96 0.987 35.70 450.9 77 96 96 96 224 65.3 0.440 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.7172 1754.3 8.8 scans 46% 193 m/z (71 70) 0.18% 0.143% 5392 0.8 291 376283 12722292 11464233 5-4 4: 193 175 194 157 0.918 35.70 451.6 67 92 81 91 224 27.1 0.871 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.7049 1768.5 9.1 scans 88% 109 m/z 0.074% 0.756% 5559 0.8 696 946559 67068399 63089196 4-5 20: 109 220 43 135 123 124 91 205 97 69 121 107 95 77 149 79 221 93 136 137 0.988 36.70 450.0 81 100 99 100 220 221.2 10.113 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2208 1775.8 7.9 scans 23% 209 m/z 0.69% 0.0285% 5647 0.9 145 101852 2533297 2373165 3-2 14: 209 224 181 165 167 210 178 225 103 166 179 194 78 152 0.669 37.20 449.5 76 98 74 97 224 51.3 12.430 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9823 1786.7 9.5 scans 37% 177 m/z 0.22% 0.270% 5776 0.6 403 310432 23966092 21998240 3-2 16: 177 109 192 84 123 87 238 107 121 83 94 136 122 110 149 135 0.515 37.98 448.1 76 99 49 96 238 79.2 3.857 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0620 1787.9 8.8 scans 54% 57 m/z (122) 0.72% 0.0633% 5789 1.0 201 96952 5619705 5228132 0-2 19: 57 71 85 56 43 225 99 41 55 113 127 70 183 141 155 86 197 224 196 0.939 38.06 448.2 72 95 96 97 225 32.1 2.543 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5744 1795.2 8.9 scans 93% 73 m/z 0.021% 2.20% 5876 0.8 1187 3219789 195428386 179200005 3-3 20: 73 429 147 221 355 430 341 207 222 282 325 343 459 283 402 475 191 265 205 385 0.993 38.59 447.1 80 99 98 99 429 351.7 8.793 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1016 ? Octadecane 38.8389 1799.0 11.0 scans 22% 57 m/z (109) 0.68% 0.0651% 5920 0.8 175 103438 0.0791% 5778039 5016335 7017281 1-4 18: 57 71 85 70 254 56 113 84 98 72 140 112 42 58 54 86 44 182 0.856 38.91 -1.0 79 91 75 88 254 11.9 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1018 ? Neophytadiene 39.7663 1906.2 7.5 scans 80% 68 m/z (122) 0.39% 0.198% 6078 1.0 390 177687 0.200% 17588947 17033325 17742810 4-1 20: 68 95 82 57 123 69 43 55 81 83 71 67 41 97 96 124 109 85 111 79 0.992 39.94 537.1 74 96 97 97 278 18.1 0.216 -0.170 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8985 1922.6 8.0 scans 81% TIC 0.18% 0.271% 6100 1.1 466 378274 24099185 22913803 1-2 0.966 39.88 554.3 78 99 96 98 250 47.0 1.017 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 40.2037 1960.4 9.1 scans 19% 159 m/z 1.4% 0.0210% 6152 1.3 120 48909 1866337 1683238 8-2 10: 159 119 105 161 120 132 145 162 160 146 0.492 39.14 603.7 65 89 43 86 272 16.4 0.000 1.063 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2037 1960.4 9.1 scans 43% 159 m/z (135) 1.4% 0.0531% 6152 1.3 177 49305 4717439 4254630 8-2 10: 159 119 105 161 120 132 145 162 160 146 0.959 40.24 586.5 74 97 92 97 272 16.0 0.820 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3171 1974.5 8.2 scans 48% 149 m/z (70) 0.21% 0.0596% 6171 1.0 201 334202 5288489 4955558 2-2 12: 149 150 223 104 76 167 205 224 65 132 50 225 0.941 40.31 599.6 76 98 95 99 223 40.5 4.050 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6146 2011.3 6.8 scans 22% 221 m/z (109) 3.0% 0.0100% 6221 1.0 90 23262 893982 844116 2-3 16: 221 73 295 207 281 369 282 223 222 297 327 208 370 265 74 371 0.881 40.63 631.2 72 98 89 98 369 14.8 2.703 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1148 ? UNK 40.98min 40.9788 2056.5 9.8 scans 54% 245 m/z 0.071% 0.326% 6283 0.9 441 988515 28984481 25882927 6-1 20: 245 122 246 43 135 123 91 260 105 93 77 119 79 107 131 136 161 145 133 115 0.870 40.98 671.0 79 99 83 99 260 62.2 1.987 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BQLD_R~1-N1056 ? Homosalate 40.9995 2059.1 8.9 scans 22% 138 m/z (245) 0.38% 0.112% 6287 0.9 266 183886 9944524 9359244 2-0 16: 138 120 109 69 121 124 83 139 65 82 92 262 68 263 64 63 0.853 41.00 673.3 72 98 83 98 262 32.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1144 Sclareoloxide 41.1353 2075.9 9.3 scans 92% 109 m/z 0.064% 1.73% 6310 0.6 1039 1089572 153504115 140405224 1-2 20: 109 81 191 262 123 121 177 107 69 229 41 55 93 79 67 137 71 91 136 124 0.994 41.13 688.1 81 100 100 100 262 201.9 3.772 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1146 Methyl-b-ionone 41.2970 2095.9 9.3 scans 86% TIC 0.027% 1.04% 6337 0.6 823 2521284 92782454 88019889 2-1 0.946 41.29 705.5 80 100 98 100 229 64.5 0.614 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4434 2114.1 8.0 scans 59% 205 m/z (93) 0.68% 0.115% 6362 0.8 282 102636 10258212 9579310 2-2 17: 205 217 175 189 220 177 232 191 203 206 218 192 233 115 219 163 176 0.954 41.49 -82.5 81 99 91 98 276 19.1 0.457 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5668 2123.7 8.6 scans 78% TIC 0.21% 0.260% 6383 1.3 438 326395 0.306% 23140701 22032618 27146499 1-0 0.949 41.76 726.0 79 98 92 98 272 113.6 6.720 -0.194 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6288 2127.2 >7 scans 40% TIC 0.88% 0.0208% 6393 2.5 193 79574 0.147% 1852557 1852557 13040965 0-0 0.755 41.48 8.2 64 72 70 72 268 0.0 0.000 0.146 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0090 2148.5 8.2 scans 72% 74 m/z (140) 0.068% 0.477% 6458 0.9 571 1028299 42378420 40014285 2-2 20: 74 87 43 55 143 41 227 270 57 83 129 59 97 88 171 199 241 42 56 84 0.933 42.01 746.5 76 98 95 99 272 20.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3337 2166.8 8.5 scans 75% 73 m/z 0.13% 0.257% 6513 1.1 420 533114 22867912 21423641 2-3 20: 73 147 281 221 355 429 207 503 341 282 430 222 74 356 283 148 504 415 295 505 0.976 42.37 757.8 75 92 93 98 503 67.1 2.555 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6453 2184.2 9.5 scans 77% 147 m/z (137) 0.33% 0.493% 6565 1.3 509 209406 43753858 39338823 2-3 15: 147 69 91 105 41 161 93 79 119 82 133 229 135 187 77 0.984 42.40 13.8 89 91 90 90 272 51.9 1.043 0.246 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.6471 2184.3 13.0 scans 23% TIC 0.44% 0.148% 6566 1.4 281 158121 13148229 12006599 1-3 0.349 42.05 33.7 66 75 28 70 272 7.2 0.000 0.602 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8803 2197.4 9.6 scans 40% 148 m/z (229) 0.52% 0.0970% 6605 1.1 232 134773 8608521 7724741 5-1 5: 148 133 190 106 149 0.968 42.90 -1.3 91 94 90 95 272 22.3 0.924 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9635 2202.1 >15 scans 37% 135 m/z (258) 0.97% 0.130% 6620 1.0 244 72716 0.207% 11616457 10900692 18363808 0-1 19: 135 147 272 43 161 133 159 273 162 257 215 288 131 125 145 117 150 217 78 0.611 42.99 -1.5 88 93 59 92 272 39.0 2.542 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1244 ?? Diterpene 43.4min RI2229 43.0308 2205.9 >3 scans 16% 217 m/z (258) 4.5% 0.0100% 6631 999.0 108 15408 0.0636% 892132 644944 5642213 0-3 1: 217 0.796 43.44 -22.8 61 70 60 78 272 8.3 0.000 -0.406 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1436 2212.2 10.9 scans 43% 121 m/z (131) 1.3% 0.129% 6650 0.8 254 52855 11456465 10725373 1-1 18: 121 41 107 91 93 81 95 133 55 57 79 147 77 67 122 229 108 203 0.771 43.15 -0.6 81 90 72 86 272 33.7 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1607 2213.2 9.8 scans 21% 187 m/z (121 246) 0.67% 0.0598% 6653 0.5 174 104420 5310290 5073049 1-1 17: 187 161 134 105 119 272 57 162 188 189 204 163 85 257 205 273 173 0.646 43.24 -4.2 83 93 52 91 272 49.8 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5226 2233.5 9.4 scans 18% 216 m/z (107) 1.5% 0.0499% 6715 0.7 166 44384 4434433 4025159 2-2 4: 216 201 215 261 0.678 43.55 -1.7 72 82 41 78 272 28.1 2.848 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1242 ?? Kaur-15-ene, (5?,9?,10?)- 43.6466 2240.5 6.0 scans 19% 93 m/z (88) 7.2% 0.0108% 6735 1.0 98 9664 965054 840286 1-1 20: 93 133 148 177 69 79 107 134 41 91 81 105 121 276 119 53 67 229 71 120 0.855 43.66 -0.7 64 69 66 75 272 8.0 0.665 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N406_R~1-N1086 ? Verticiol 43.8148 2249.9 8.7 scans 65% 105 m/z (71) 1.0% 0.127% 6764 0.7 271 69699 0.137% 11292713 9892992 12153825 3-2 20: 105 135 93 107 161 69 119 91 41 272 81 121 136 79 147 187 145 95 203 77 0.984 43.85 811.9 72 94 95 96 272 40.0 2.169 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1240 ?? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0338 2262.3 >15 scans 13% 109 m/z (245 191) 0.74% 0.0440% 6801 0.6 136 95107 0.0798% 3905677 3638851 7079381 3-0 8: 109 272 80 66 192 216 259 257 0.566 44.05 -1.2 66 84 36 72 272 21.2 2.427 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5380 2291.3 11.1 scans 42% 109 m/z (123) 2.2% 0.0382% 6886 0.7 138 31583 0.0539% 3393923 2956307 4781687 3-6 20: 109 121 95 107 81 195 79 105 69 177 93 135 97 286 53 91 272 55 133 41 0.915 44.55 -0.9 82 87 84 89 272 11.5 0.697 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 45.1820 2328.4 14.6 scans 41% 71 m/z (177) 4.6% 0.0326% 6995 1.1 114 15088 2894483 2767940 1-1 19: 71 121 147 141 41 133 105 148 91 94 161 120 150 162 117 259 160 118 96 0.615 44.90 16.2 69 81 62 79 272 7.7 0.000 0.281 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.5232 2348.0 >5 scans 41% 181 m/z 0.19% 0.151% 7054 0.0 364 357075 0.378% 13448300 11030373 33533910 5-0 5: 181 63 288 188 155 0.413 45.56 -2.4 80 84 32 82 290 14.3 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1156 ? Sclareolide 45.5586 2350.1 10.0 scans 73% 123 m/z (195) 0.23% 0.682% 7059 0.8 607 302558 60542761 55332293 4-4 20: 123 43 69 81 125 82 67 124 107 55 137 91 79 93 68 136 235 96 149 150 0.799 45.58 878.1 72 96 93 98 290 12.9 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1183 2382.3 9.0 scans 45% 79 m/z (191) 0.40% 0.169% 7154 1.4 308 175688 15081230 13851521 2-2 12: 79 67 80 108 93 94 77 59 78 87 122 66 0.794 46.13 -0.9 89 97 82 96 292 22.6 0.540 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1150 ? UNK 46.46min 46.4329 2400.4 10.8 scans 45% 191 m/z (119) 0.032% 1.13% 7207 0.6 748 2162308 100599212 91792668 4-4 11: 191 137 69 95 217 235 123 83 193 97 111 0.693 46.47 911.1 72 98 73 98 235 126.4 2.858 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4494 2401.3 8.7 scans 21% 177 m/z (191 174) 0.077% 0.350% 7210 0.7 462 910495 31119392 29006600 4-2 17: 177 195 290 178 113 99 196 176 272 257 221 275 291 258 247 222 292 0.631 46.49 -2.7 83 93 49 87 290 91.8 3.950 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7694 2419.8 7.9 scans 12% 74 m/z (195 180) 1.9% 0.0150% 7264 1.1 100 36700 1335533 1184086 2-5 9: 74 87 75 255 298 101 299 88 269 0.873 46.76 924.7 63 95 82 93 298 19.4 3.777 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8515 2424.5 8.9 scans 11% 191 m/z (195) 1.4% 0.0206% 7278 0.8 113 49918 1827698 1763645 2-3 2: 191 192 0.731 46.86 -0.4 82 94 67 91 290 16.2 2.053 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1152 UNK 47.18min 47.1508 2441.7 9.8 scans 79% 109 m/z 0.081% 0.634% 7329 0.7 641 868622 56252456 51884483 2-2 20: 109 43 95 81 123 93 137 55 69 235 41 111 127 121 107 79 67 110 91 94 0.980 47.18 937.3 80 100 98 99 278 60.9 0.904 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1226 ? Sclareol 47.42min 47.2399 2446.8 >12 scans 18% 196 m/z (134) 0.96% 0.0397% 7344 1.5 133 72843 3527571 3189889 0-1 1: 196 0.863 47.42 -10.3 77 82 58 81 290 24.8 3.499 -0.178 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N419_R~1-N1164 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 47.2641 2448.2 >6 scans 3.8% 290 m/z (196) 1.6% 0.00690% 7348 6.2 81 42698 612525 538865 0-2 3: 290 289 276 0.035 48.96 897.4 62 93 9 87 290 26.1 10.500 -1.699 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2966 2450.1 9.2 scans 78% 134 m/z (290) 0.21% 0.360% 7353 0.6 467 331216 31992194 30684053 1-1 20: 134 119 84 81 191 69 95 79 135 93 55 43 109 123 178 107 67 91 148 105 0.989 47.36 -3.4 98 99 99 100 272 43.1 0.849 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN TAB_REP1-N1222 ? Sclareol 47.9min 47.9365 2486.9 9.8 scans 57% TIC 0.64% 0.182% 7462 1.1 347 109880 0.247% 16180821 15453854 21912370 8-0 0.641 47.95 -0.7 76 84 61 82 272 26.5 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN N407_R~1-N1154 UNK 48.48min 48.4819 2518.3 9.9 scans 94% 148 m/z 0.019% 1.76% 7554 0.6 1017 3647764 156448863 145463626 3-2 20: 148 95 149 133 147 109 69 108 161 41 96 286 162 135 55 67 178 71 121 79 0.998 48.48 980.1 81 100 100 100 286 125.2 1.516 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8575 2712.5 7.9 scans 40% 73 m/z 3.8% 0.00638% 8126 1.1 67 18377 566060 514395 2-2 18: 73 147 221 355 281 222 295 356 341 430 148 74 503 431 267 505 401 282 0.693 51.86 1081.6 73 96 67 93 503 10.8 2.583 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN BLKEND~1-N1018 ?? Contamination 48.95min 54.6314 2872.2 9.2 scans 19% 73 m/z (57) 7.6% 0.00425% 8596 1.4 49 9238 377381 344272 2-3 12: 73 281 147 355 221 341 282 295 429 149 503 223 0.669 48.95 1321.8 68 98 70 95 429 11.6 5.689 5.682 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1030 Pentacosane 54.6680 2874.3 8.5 scans 71% 57 m/z (73) 1.4% 0.0291% 8602 1.2 134 49193 2586680 2387847 3-4 20: 57 71 85 43 99 41 55 127 69 113 56 97 70 111 83 98 155 141 112 84 0.922 54.79 -7.0 89 92 87 90 352 8.6 0.414 -0.122 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP2.FIN HCMIX_~1-N1034 Heptacosane 59.7968 3169.3 12.3 scans 64% 43 m/z 2.3% 0.0210% 9470 1.1 98 30077 1869921 1680787 3-4 17: 43 126 83 41 69 140 70 169 97 211 113 99 84 196 125 112 127 0.792 59.97 -9.8 82 86 72 81 380 6.0 0.000 -0.170 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1753 773.0 10.3 scans 84% 77 m/z (43) 0.083% 0.120% 49 4.5 279 877389 12848504 11663247 1-2 13: 77 45 78 79 62 59 76 75 63 61 47 46 92 0.994 4.37 19.0 99 100 99 100 77 238.1 72.978 -0.196 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5437 834.6 20.8 scans 9.7% 209 m/z (95) 1.5% 0.0184% 450 1.4 81 48904 1958628 1781034 2-3 11: 209 43 44 177 87 208 147 134 192 161 48 0.882 6.53 -142.2 73 97 67 97 207 56.2 48.635 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6299 862.9 8.6 scans 50% 69 m/z 4.8% 0.00792% 634 1.6 80 15140 0.0125% 842825 796252 1330101 5-0 19: 69 55 41 83 39 42 57 98 80 97 70 79 58 51 53 56 54 68 81 0.723 7.71 7.6 94 98 73 96 98 22.7 8.009 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.4151 987.5 >6 scans 24% 114 m/z 3.2% 0.00263% 1445 9.6 55 22497 280122 255619 0-3 8: 114 281 109 71 249 265 58 77 0.622 12.22 41.2 89 96 80 99 281 38.1 47.954 0.195 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6518 993.6 9.5 scans 58% 81 m/z (121) 1.9% 0.0112% 1485 2.0 80 36863 1196275 1118200 3-1 10: 81 110 39 53 51 65 109 66 50 63 0.939 13.22 30.0 91 97 91 98 110 23.3 8.582 -0.570 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1016 Limonene 13.8909 1027.0 8.4 scans 69% 68 m/z 0.73% 0.0549% 1695 1.3 199 99682 5849518 5059199 2-7 20: 68 93 67 79 94 136 92 121 107 53 91 77 39 124 81 41 95 123 80 65 0.813 13.89 51.7 88 99 88 99 136 40.8 4.207 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0804 1032.1 11.3 scans 88% 79 m/z 0.20% 0.197% 1727 1.5 331 360681 21017344 19824129 1-3 20: 79 108 107 77 51 91 78 80 50 89 90 109 63 65 39 52 53 74 105 62 0.978 14.11 53.1 92 100 99 100 108 145.9 19.440 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4311 1041.6 8.8 scans 55% 91 m/z 0.41% 0.0324% 1786 1.6 143 175039 3447791 2920907 5-6 12: 91 92 120 65 121 63 89 50 90 62 122 66 0.880 14.44 56.8 90 99 87 99 120 49.2 11.901 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1002 ?? Undecane 14.8709 1053.5 7.2 scans 52% 71 m/z (82) 4.2% 0.00705% 1861 1.0 79 17297 750377 709876 1-0 16: 71 57 85 43 41 127 70 113 84 56 55 86 99 137 80 72 0.919 16.59 -46.5 67 79 86 80 156 0.0 0.000 -1.716 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1968 1062.3 11.8 scans 77% 94 m/z 0.40% 0.0616% 1916 1.0 181 180855 6564297 5984685 2-5 15: 94 109 66 39 110 38 67 40 80 65 52 64 37 93 53 0.934 16.11 -207.9 79 99 91 99 109 98.5 29.761 -0.912 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN 98-86-2 ? Acetophenone 15.2505 1063.8 10.3 scans 28% 105 m/z (111) 2.5% 0.00916% 1925 1.3 71 29310 975532 848686 5-3 6: 105 120 77 107 75 76 0.763 15.29 -181.9 74 99 90 98 120 25.7 13.159 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4187 1068.3 9.0 scans 57% 95 m/z 0.40% 0.0531% 1953 1.6 191 181556 5650858 5075106 2-4 16: 95 81 124 43 79 53 109 65 77 82 96 51 66 50 52 125 0.802 15.43 66.6 86 99 79 98 124 62.0 10.540 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5019 1070.6 >5 scans 37% 41 m/z (89) 4.9% 0.00627% 1968 5.9 88 14954 667411 628752 0-1 10: 41 118 71 119 59 94 67 97 43 93 0.912 18.83 17.9 67 69 71 79 122 1.9 0.000 -3.328 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7723 1107.8 8.6 scans 63% 57 m/z (84) 0.96% 0.0545% 2183 1.3 194 76369 0.0661% 5806532 5206859 7033575 8-0 14: 57 41 56 69 98 55 70 44 95 68 96 112 42 99 0.936 16.82 85.4 72 92 90 93 124 4.2 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 16.9542 1115.5 9.0 scans 37% 71 m/z (126) 1.3% 0.0188% 2213 1.1 110 55425 2003808 1769361 2-6 10: 71 95 110 128 58 72 70 138 156 96 0.909 16.97 90.8 65 86 77 86 128 32.2 8.537 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0480 1119.5 10.4 scans 53% 91 m/z 0.32% 0.0526% 2229 1.4 180 223789 5599270 5190424 2-4 15: 91 92 122 65 63 78 89 103 123 50 104 90 134 62 64 0.767 17.05 93.5 79 99 88 99 122 58.9 10.737 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1024 ? p-Cymene 17.6933 1146.7 8.3 scans 56% 119 m/z (88) 2.7% 0.0138% 2339 1.3 100 26804 1477515 1374971 3-4 15: 119 91 134 77 105 79 92 93 103 65 78 117 104 52 63 0.944 13.76 -52.8 73 82 72 89 134 33.3 10.973 3.936 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0628 1162.3 11.7 scans 58% 355 m/z 1.2% 0.0272% 2401 2.0 125 58244 2898726 2713274 2-1 18: 355 73 267 356 268 223 249 325 358 193 74 75 357 323 265 154 162 191 0.894 18.13 -169.4 78 99 85 98 355 56.2 20.144 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN M4942-N1002 Pyranone 18.2452 1170.1 13.4 scans 84% 144 m/z 0.15% 0.303% 2432 0.3 400 466660 32298306 29962835 1-3 20: 144 43 101 44 72 73 55 45 115 145 42 58 39 56 152 71 74 53 41 102 0.972 20.04 -220.4 80 99 96 99 144 173.6 18.857 -1.797 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.7163 1190.0 14.0 scans 21% 55 m/z 1.9% 0.0141% 2512 0.6 92 38330 1501408 1403287 1-0 17: 55 67 109 98 43 69 95 41 97 110 58 81 44 93 68 40 96 0.385 19.87 121.7 63 92 35 86 144 2.7 0.000 -1.155 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 18.7429 1191.1 14.5 scans 59% 60 m/z (43) 1.4% 0.0475% 2517 0.2 152 49751 0.0532% 5064490 4993560 5660911 1-3 16: 60 69 85 41 73 101 57 55 97 87 88 115 108 45 56 86 0.877 22.03 -118.0 70 94 88 95 175 0.0 0.000 -3.291 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1142 1206.8 8.0 scans 27% 82 m/z (52) 3.4% 0.00463% 2580 1.2 60 21403 493378 441705 2-2 3: 82 81 54 0.938 19.12 149.7 72 96 86 97 97 9.4 2.449 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.7205 1232.4 18.4 scans 25% 122 m/z (119) 1.5% 0.0357% 2682 0.9 109 46120 3800916 3800916 0-0 14: 122 55 51 74 50 123 144 52 66 79 125 113 76 102 0.511 20.03 161.7 65 86 72 94 122 48.9 20.168 -0.309 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7925 1235.4 22.1 scans 69% TIC 0.39% 0.0585% 2694 1.1 219 184915 0.105% 6231725 5705540 11172850 0-3 0.949 19.81 167.9 76 96 95 96 144 2.5 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3273 1257.9 11.3 scans 47% 57 m/z (131) 2.2% 0.0187% 2785 0.8 103 33313 1994211 1893792 4-2 15: 57 71 85 97 84 56 69 58 112 81 83 74 109 140 126 0.875 20.32 0.2 89 97 91 95 170 10.8 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1034 ? Decanal 20.5257 1263.9 8.6 scans 59% 57 m/z 1.6% 0.0315% 2818 1.0 155 44079 3359529 3050956 3-2 17: 57 41 55 82 68 71 81 44 112 56 69 67 84 96 42 54 128 0.865 20.57 -143.1 74 94 85 94 138 8.7 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5257 1263.9 8.6 scans 68% 57 m/z (110) 1.6% 0.0410% 2818 1.0 167 44206 4368219 3966998 3-2 17: 57 41 55 82 68 71 81 44 112 56 69 67 84 96 42 54 128 0.952 20.56 185.2 75 98 97 99 128 19.9 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9489 1276.6 11.0 scans 26% 94 m/z (137) 2.3% 0.00990% 2890 1.3 73 31497 1054408 965458 5-1 3: 94 88 99 0.761 20.98 191.6 71 94 86 98 152 4.8 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9920 1277.9 8.6 scans 71% 137 m/z (94) 1.3% 0.0485% 2897 0.9 188 56429 5169880 4811697 2-1 18: 137 152 109 123 67 81 93 95 119 41 53 65 107 55 92 110 105 80 0.942 21.00 192.6 67 90 83 89 155 0.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2795 1286.5 10.4 scans 12% 281 m/z 3.0% 0.00477% 2947 2.1 51 23714 508204 434997 2-4 9: 281 282 251 283 193 207 249 284 112 0.761 12.25 133.4 74 96 62 95 281 39.1 59.181 9.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 21.7465 1300.5 7.8 scans 47% 57 m/z (341 325) 2.1% 0.0127% 3025 1.0 99 33846 1353097 1179569 4-1 10: 57 85 71 141 127 84 86 56 112 113 0.930 33.32 33.5 65 73 84 84 226 0.0 0.000 -11.573 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0068 1308.3 8.8 scans 68% TIC 0.12% 0.109% 3069 1.1 279 584755 11647952 10320256 2-5 0.854 22.01 207.9 80 100 86 99 190 79.0 8.025 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.3345 1348.2 >15 scans 73% 43 m/z 0.38% 0.125% 3294 0.7 275 191089 0.210% 13303497 13045201 22345700 0-1 19: 43 57 56 71 85 175 141 116 54 81 75 51 40 147 127 86 67 155 44 0.882 25.35 199.0 74 97 87 99 162 0.0 0.000 -2.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.3545 1348.8 >22 scans 74% 73 m/z 0.35% 0.188% 3298 0.1 284 207545 0.191% 20016287 19079029 20323946 0-8 20: 73 60 57 115 55 41 43 87 61 39 98 45 42 56 70 83 74 99 158 96 0.920 22.70 -126.5 75 95 89 98 158 20.9 0.544 0.659 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1006 Tridecane 23.8333 1363.1 9.6 scans 45% 57 m/z (111) 1.5% 0.0237% 3379 1.1 118 46511 2528050 2359266 1-2 12: 57 71 85 41 84 56 70 184 98 44 86 154 0.739 23.86 -0.9 83 93 87 91 184 13.5 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0983 1371.9 7.3 scans 56% 73 m/z 0.43% 0.0529% 3424 1.0 218 168035 5631072 5206496 2-2 20: 73 341 429 342 325 343 147 430 431 326 74 207 327 432 148 251 75 45 295 311 0.931 24.17 -151.9 80 99 90 99 429 67.7 9.646 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5470 1386.9 8.1 scans 59% 71 m/z 0.74% 0.0378% 3500 1.4 177 99139 4027247 3842759 1-3 18: 71 57 85 43 41 84 70 127 99 113 56 155 169 112 126 42 72 86 0.855 24.54 249.6 77 99 88 97 169 20.8 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7176 1392.6 10.2 scans 64% 43 m/z (123) 0.97% 0.0447% 3528 1.3 161 75368 4765766 4264184 2-3 20: 43 83 55 142 41 82 113 58 56 85 111 69 39 67 70 127 128 71 68 143 0.971 24.70 253.0 70 91 89 98 170 6.0 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4567 1417.3 17.9 scans 94% 84 m/z 0.011% 3.74% 3654 0.3 1226 6519626 398417637 373928003 0-3 20: 84 133 162 161 42 92 118 82 65 78 117 51 39 163 63 105 120 132 93 106 1.000 25.89 260.3 78 97 97 98 162 332.3 7.351 -0.435 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0128 1469.2 8.3 scans 86% 121 m/z 0.20% 0.340% 3917 0.9 522 359728 36191851 33287775 4-7 20: 121 136 43 69 93 161 109 176 95 81 79 41 107 67 91 123 77 105 55 179 0.966 27.02 295.8 80 100 97 100 208 8.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1025 1472.2 6.9 scans 17% 221 m/z 4.2% 0.00469% 3932 1.0 67 17175 499657 454919 1-6 13: 221 73 147 223 355 148 443 282 281 356 283 444 268 0.767 27.12 297.3 69 94 73 93 355 14.4 4.558 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1681 1474.4 7.9 scans 68% 57 m/z (178) 0.73% 0.0360% 3944 1.2 170 100322 0.0515% 3833356 3619959 5480017 1-0 19: 57 71 85 43 41 55 56 99 84 70 42 98 126 112 113 127 155 154 141 0.968 27.21 -1.4 94 98 96 98 198 21.4 1.583 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1114 ? Caryophyllene 27.8387 1499.5 8.8 scans 71% 133 m/z 0.63% 0.142% 4058 1.0 330 115888 15177486 13795635 3-1 19: 133 93 91 41 71 79 69 57 105 120 107 161 77 119 70 55 85 106 147 0.897 27.84 314.1 79 99 89 99 204 25.0 0.577 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1032 Myosmine 27.9497 1503.6 10.6 scans 85% 118 m/z 0.066% 0.452% 4076 1.1 536 1096762 48134001 44065880 1-4 20: 118 146 145 105 78 51 119 104 147 91 117 65 63 41 42 77 39 64 50 76 0.982 27.93 316.9 80 100 98 100 146 230.5 18.481 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6586 1530.3 8.0 scans 80% 43 m/z (113) 0.16% 0.174% 4196 1.0 364 435528 18579286 16672130 8-3 20: 43 69 41 151 136 107 67 125 93 109 83 53 39 81 121 68 108 79 55 77 0.982 28.67 332.9 77 99 98 99 194 22.8 0.394 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0943 1546.7 7.6 scans 69% 71 m/z (123) 0.36% 0.0897% 4270 1.1 271 199170 0.134% 9546556 8995370 14258685 1-0 20: 71 57 43 85 70 41 141 56 113 55 99 112 84 183 97 140 42 72 127 155 0.983 29.10 342.8 65 88 93 88 227 4.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1010 Contamination 29.61min 29.5276 1563.0 7.4 scans 87% 73 m/z 0.053% 0.589% 4343 0.9 729 1377293 62776142 58844301 2-2 20: 73 281 147 282 415 341 503 283 399 221 328 416 148 504 325 505 207 400 343 385 0.986 29.61 -150.1 80 99 97 99 503 124.3 2.912 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6640 1568.1 8.3 scans 65% 177 m/z (125) 0.058% 0.396% 4366 0.7 548 1244780 42212379 39838952 2-1 20: 177 43 178 91 135 77 105 93 79 121 107 149 133 122 95 41 192 109 119 39 0.762 29.68 355.6 72 96 63 95 192 62.4 1.298 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7626 1571.8 >8 scans 62% TIC 0.14% 0.0469% 4383 1.0 262 520778 4999180 4999180 0-0 0.954 29.77 357.8 76 96 92 96 193 23.1 0.774 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1118 UNK Hydrocarbon double ring structure 29.8446 1574.9 8.5 scans 77% 105 m/z 0.093% 0.352% 4397 0.9 526 784572 0.362% 37474534 35433879 38519731 3-1 20: 105 91 161 93 107 121 133 79 119 94 204 77 106 80 147 189 95 148 81 124 0.950 29.85 359.8 80 99 94 99 204 83.5 2.518 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9485 1578.8 8.7 scans 61% 71 m/z 0.22% 0.132% 4415 0.6 318 322201 14134471 13228159 1-2 20: 71 85 57 43 99 113 41 127 69 84 55 155 70 169 83 56 72 126 86 141 0.867 29.94 362.4 73 95 85 96 254 9.6 0.092 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.3157 1592.6 9.0 scans 53% 112 m/z (137) 0.70% 0.0477% 4477 1.3 185 104618 5085337 4790578 0-2 7: 112 141 155 179 100 44 197 0.684 30.38 -2.3 79 86 63 91 212 21.1 0.000 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5772 1603.3 8.2 scans 69% 191 m/z 0.070% 0.174% 4521 1.0 381 1046561 18614858 17188548 3-1 18: 191 206 192 57 163 74 175 115 91 207 73 88 77 147 128 133 161 117 0.912 30.50 378.5 79 99 92 99 206 103.4 7.387 0.079 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8352 1614.2 8.1 scans 26% 124 m/z (71) 1.8% 0.0127% 4565 1.1 101 40642 1354161 1299885 1-1 6: 124 137 180 138 54 181 0.837 30.81 384.8 70 94 81 95 180 28.1 7.756 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2331 1630.9 10.3 scans 79% 111 m/z (73) 0.17% 0.220% 4632 0.7 371 419209 23417256 22485907 2-0 18: 111 109 137 180 110 67 124 152 79 77 112 95 165 39 65 138 91 81 0.970 31.18 395.9 74 96 92 99 180 81.7 4.837 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.2892 1633.2 16.4 scans 12% 73 m/z (111) 1.0% 0.0455% 4642 1.1 179 68862 0.0810% 4846581 4562592 8619056 1-0 20: 73 223 341 71 342 207 429 430 343 74 267 385 431 328 113 127 225 329 344 206 0.791 31.63 -14.5 64 66 65 83 429 24.5 1.871 -0.345 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3464 1635.6 10.7 scans 84% TIC 0.10% 1.13% 4652 0.6 850 700335 121123981 110990218 1-2 0.943 31.35 398.1 80 100 96 100 194 183.1 4.643 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1128 Caryophyllene oxide 31.8978 1658.8 9.6 scans 88% TIC 0.16% 0.601% 4745 0.9 654 434378 64005903 59580466 2-1 0.978 31.90 413.0 80 100 98 100 220 48.5 0.552 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1102 ? UNK 31.99min 32.0678 1666.0 9.4 scans 45% 127 m/z (96) 0.024% 0.873% 4774 0.6 760 2942392 92900120 86080081 2-4 20: 127 85 75 129 74 128 59 98 126 84 45 101 42 143 169 87 216 99 130 113 0.841 31.99 418.8 73 98 85 97 129 185.0 5.923 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1126 ? Diepicedrene-1-oxide 32.1144 1667.9 >7 scans 84% TIC 0.090% 1.02% 4782 1.2 1051 810541 2.24% 109187538 103931108 238354136 0-1 0.979 32.12 418.9 76 94 92 100 192 126.5 1.448 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.2048 1671.7 8.8 scans 80% 109 m/z (57) 0.097% 0.681% 4797 0.9 702 754946 72537783 68583878 0-2 20: 109 43 163 191 206 107 69 91 137 93 121 77 79 147 135 149 105 136 164 119 0.945 32.20 421.4 78 100 94 99 206 130.3 3.447 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2408 1673.2 9.2 scans 6.9% 57 m/z (109 84) 0.98% 0.0234% 4803 1.1 122 74528 2499365 2275991 1-2 10: 57 183 113 99 182 184 211 154 226 168 0.398 32.24 0.1 65 89 45 84 226 8.2 0.458 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1204 ?? Hydrocarbon 32.4min RI1681 32.4427 1681.7 10.9 scans 19% 57 m/z (123) 1.3% 0.0270% 4837 0.8 122 55383 2874501 2704051 2-1 18: 57 71 85 56 197 196 195 113 42 159 84 58 168 198 154 169 161 141 0.606 32.44 0.0 63 85 56 82 226 5.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1122 Longipinocarvone 32.5944 1688.1 8.8 scans 89% 134 m/z 0.13% 0.684% 4863 0.7 725 531711 72883169 68703721 2-1 20: 134 69 91 79 135 41 93 133 107 77 105 175 92 67 119 53 109 108 147 39 0.981 32.60 431.9 81 100 98 100 218 32.5 0.201 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1120 Caryophyllene oxide 32.8724 1699.8 9.1 scans 83% 79 m/z 0.15% 0.656% 4910 0.7 697 471883 69826684 62886119 1-7 20: 79 93 91 41 43 95 69 109 107 77 106 67 96 55 105 81 121 110 82 83 0.959 32.87 439.5 80 100 96 99 206 51.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9409 1702.6 >9 scans 21% 71 m/z 0.43% 0.0161% 4921 1.1 129 170092 0.0500% 1715820 1614974 5320405 0-1 18: 71 43 111 243 155 219 159 72 143 235 56 175 173 196 89 134 73 191 0.727 32.93 0.3 84 88 73 93 243 23.0 3.167 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0785 1708.4 12.1 scans 31% 56 m/z (109) 3.1% 0.0320% 4945 0.6 129 23500 3408573 3235517 0-1 9: 56 41 82 42 54 112 139 196 166 0.874 33.09 -0.3 80 88 87 90 224 7.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3175 1718.5 7.7 scans 53% 57 m/z (203) 0.48% 0.0585% 4986 0.8 217 150877 0.0742% 6225005 5760625 7895481 0-1 19: 57 71 85 43 41 99 56 55 70 113 226 42 112 98 155 72 127 141 126 0.966 33.37 -2.3 95 98 95 98 226 24.9 1.308 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1104 ? UNK 33.53min 33.5920 1723.9 8.9 scans 69% 127 m/z (163) 0.16% 0.277% 5032 0.9 432 449540 29520301 26602858 6-5 19: 127 75 85 74 159 97 126 166 128 84 101 98 59 45 129 42 157 58 125 0.975 33.53 453.7 74 96 94 97 166 67.8 2.459 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.9079 1728.5 7.7 scans 32% 71 m/z 2.0% 0.00978% 5086 0.9 107 36005 1041066 971280 2-1 17: 71 43 70 197 99 113 56 55 141 41 127 84 86 112 72 211 198 0.801 33.90 0.2 92 95 77 92 197 23.8 4.932 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1132 Longifolenaldehyde 34.1410 1731.8 9.6 scans 90% 109 m/z 0.047% 1.36% 5125 0.5 981 1548042 145439181 136709192 3-2 20: 109 95 121 191 91 107 135 105 119 69 93 220 81 137 79 77 41 55 97 123 0.992 34.14 452.6 81 100 99 100 220 145.9 2.213 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2945 1734.0 8.3 scans 7.3% 57 m/z 2.4% 0.00428% 5151 1.1 81 29496 455733 437764 0-1 20: 57 71 99 210 85 211 98 55 113 112 167 177 111 84 56 141 174 182 127 183 0.477 34.27 0.4 64 78 42 82 211 16.9 4.347 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4002 1735.5 8.2 scans 80% 355 m/z 0.023% 1.48% 5169 0.7 1097 3069265 158302596 148123666 3-1 20: 355 73 221 147 356 281 357 401 282 415 222 402 327 267 403 207 283 358 148 223 0.969 34.39 452.5 80 99 95 99 415 137.4 1.571 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.5065 1737.0 9.6 scans 75% 91 m/z 0.044% 1.08% 5187 0.7 921 1645770 115374085 111127348 1-0 20: 91 79 41 69 105 93 107 135 77 117 119 67 55 81 121 137 133 53 159 149 0.939 34.50 452.4 79 100 95 99 218 39.8 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.6139 1738.5 11.3 scans 72% 69 m/z 0.10% 0.966% 5205 0.6 773 731830 102839915 95080752 1-6 20: 69 123 163 196 125 82 43 83 71 81 109 68 138 124 72 58 139 96 107 57 0.894 34.61 452.2 79 100 93 99 6 0.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7821 1741.0 9.5 scans 51% 91 m/z 0.21% 0.110% 5234 0.7 287 341832 11750542 10926762 1-2 20: 91 155 199 90 65 184 89 92 44 120 109 57 126 137 85 63 106 77 111 81 0.708 34.79 452.0 74 97 88 98 199 78.5 7.483 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9256 1743.0 18.2 scans 21% 68 m/z (109) 2.2% 0.0190% 5258 1.3 112 31948 0.0299% 2025723 1929579 3181602 2-0 9: 68 83 69 224 97 98 111 112 154 0.899 34.90 0.3 80 85 84 89 224 18.1 2.609 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1206 ? Spathulenol 35.4144 1750.0 9.6 scans 85% TIC 0.32% 0.445% 5341 0.8 556 223905 47439852 42079444 3-2 0.971 32.67 58.5 71 79 83 83 220 20.8 0.140 2.739 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1138 Nonenylsuccinic anhydride 35.7113 1754.2 13.3 scans 89% TIC 0.035% 2.82% 5391 0.3 1212 2092600 300485567 280099359 1-4 0.959 35.70 451.5 80 100 96 99 224 92.5 0.583 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.7096 1768.5 9.2 scans 86% 109 m/z 0.083% 0.590% 5560 0.7 651 874228 62853512 58916256 5-2 20: 109 220 43 135 123 124 91 205 81 97 41 121 77 149 79 95 93 136 137 110 0.981 36.70 450.0 80 100 98 100 220 214.4 10.835 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2344 1776.0 8.1 scans 29% 209 m/z 0.48% 0.0353% 5649 1.0 172 152889 3764569 3522010 3-1 14: 209 224 181 167 165 210 178 194 166 103 179 225 115 152 0.761 37.20 449.7 77 97 73 97 224 61.4 12.698 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3082 1777.1 7.4 scans 31% 71 m/z (203) 1.3% 0.0258% 5662 1.1 155 53412 0.0336% 2745618 2745618 3575312 0-0 17: 71 85 57 43 99 113 127 84 169 55 155 126 170 125 156 208 175 0.966 38.91 -22.9 70 73 89 78 254 1.9 0.000 -1.602 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1142 ? Widdrol hydroxyether 38.0006 1787.0 9.3 scans 72% 177 m/z 0.16% 0.549% 5779 0.5 627 441137 58477835 55590476 3-9 17: 177 109 192 95 84 43 69 123 81 107 238 71 87 83 121 93 94 0.855 37.98 448.4 78 100 89 99 238 97.4 2.413 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0644 1787.9 >8 scans 31% 57 m/z (202) 0.93% 0.0240% 5789 1.8 140 78192 2561498 2378482 0-2 20: 57 85 225 71 56 224 99 113 197 155 169 210 196 70 127 43 226 183 86 239 0.968 38.06 448.2 61 84 80 85 225 30.5 4.714 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5868 1795.4 8.2 scans 85% 73 m/z 0.074% 0.429% 5878 1.0 585 980155 45665069 42675675 2-3 20: 73 429 147 221 355 281 341 431 207 356 222 401 357 74 148 342 325 223 459 343 0.985 38.59 447.3 80 99 97 99 429 171.5 8.609 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1018 ? Neophytadiene 39.7693 1906.5 7.7 scans 75% 68 m/z 0.34% 0.181% 6078 1.0 408 213182 19365373 17382070 10-2 20: 68 95 82 57 123 69 43 83 55 81 67 71 41 97 96 124 109 111 85 56 0.970 39.94 537.4 76 96 95 95 278 21.1 0.266 -0.167 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9044 1923.3 8.2 scans 81% 58 m/z (191) 0.16% 0.344% 6101 1.0 511 447362 36692559 34129174 2-3 18: 58 43 71 59 57 85 55 109 69 41 110 83 124 70 56 250 113 111 0.993 39.88 555.0 76 98 99 99 250 54.0 1.116 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2102 1961.2 9.3 scans 64% 159 m/z (135) 0.45% 0.155% 6153 1.1 322 162316 16513533 15355013 2-2 9: 159 119 105 161 120 132 160 145 131 0.958 40.24 587.3 76 98 95 98 272 31.6 0.963 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.2120 1961.4 12.8 scans 25% TIC 0.65% 0.0640% 6153 1.4 200 111699 6820151 6313081 2-1 0.359 39.14 604.7 70 96 32 91 272 33.9 2.873 1.071 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3242 1975.3 8.2 scans 31% 149 m/z (190 267) 0.32% 0.0339% 6172 0.8 161 228009 0.0392% 3613498 3381726 4171197 0-2 8: 149 223 150 76 104 205 167 50 0.902 40.31 600.4 72 97 91 98 223 34.5 4.587 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6158 2011.5 6.8 scans 15% 221 m/z (109) 3.4% 0.00718% 6221 0.9 81 21532 764328 709137 2-3 16: 221 73 207 222 295 281 369 296 355 282 223 74 283 370 327 341 0.807 40.63 631.4 69 97 83 97 369 14.9 3.414 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1148 ? UNK 40.98min 40.9877 2057.6 9.7 scans 58% 245 m/z 0.042% 0.443% 6285 0.8 554 1723608 47183177 42875487 6-1 16: 245 122 246 43 135 123 91 95 77 131 79 136 115 133 117 147 0.821 40.98 672.1 79 100 82 99 260 81.0 2.136 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1144 Sclareoloxide 41.1412 2076.6 9.9 scans 91% 109 m/z 0.075% 1.35% 6311 0.5 966 970909 143991100 133781552 2-2 20: 109 81 191 262 95 123 43 121 177 107 69 93 229 55 41 67 79 137 135 91 0.995 41.13 688.8 81 100 99 100 262 194.1 4.041 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3035 2096.7 9.3 scans 90% 191 m/z 0.025% 1.07% 6338 0.7 882 2875072 114600866 106881645 2-2 20: 191 121 80 119 192 43 135 93 95 91 105 189 109 79 55 136 149 41 77 108 0.990 41.29 706.3 79 98 94 100 229 69.3 0.616 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1256 ?? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.4192 2111.1 9.7 scans 49% 109 m/z (169) 1.0% 0.0934% 6357 1.4 242 68174 9948869 8945120 1-2 14: 109 93 43 71 107 69 121 81 80 79 67 123 215 95 0.909 41.26 20.1 63 68 72 73 264 2.9 0.000 0.161 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4541 2115.4 8.3 scans 51% 205 m/z (109) 0.70% 0.0878% 6364 0.7 257 103451 9347008 8952322 3-1 16: 205 217 175 220 177 189 232 192 206 176 233 219 178 115 261 218 0.950 41.49 -81.2 78 96 85 96 276 19.2 0.563 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5810 2124.5 8.7 scans 88% 187 m/z 0.072% 0.749% 6385 1.0 757 1018595 79802181 72074451 2-7 20: 187 159 105 91 119 41 79 161 69 93 160 81 55 145 188 77 67 131 107 95 0.990 41.76 726.8 79 98 97 99 272 201.4 7.080 -0.180 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.7510 2134.0 8.3 scans 25% 191 m/z 1.8% 0.0335% 6414 1.3 178 39850 0.0443% 3567377 3371310 4713879 1-0 18: 191 189 121 80 105 272 119 91 95 107 93 109 135 133 147 190 79 161 0.475 42.05 -16.6 68 73 33 70 272 39.1 4.815 -0.294 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3525 2167.8 8.0 scans 36% 73 m/z 0.62% 0.0421% 6516 1.1 188 118238 4489579 4176746 2-4 20: 73 147 281 221 355 429 503 207 282 504 430 342 222 415 356 283 74 341 505 295 0.906 42.37 758.8 72 94 87 97 503 33.3 3.122 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1090 ? UNK 42.45min 42.3992 2170.4 8.4 scans 24% 159 m/z 0.55% 0.0249% 6524 1.0 148 131695 2655438 2498984 1-1 6: 159 105 160 132 187 158 0.603 42.45 759.8 70 95 62 94 272 5.9 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6513 2184.6 9.7 scans 76% 147 m/z (137) 0.19% 0.720% 6567 1.2 655 373004 76697868 70113875 2-3 18: 147 69 105 91 41 107 93 161 79 119 133 82 187 77 135 272 148 159 0.982 42.40 14.2 89 91 89 90 272 70.4 1.155 0.252 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8892 2197.9 9.5 scans 40% 148 m/z (204) 0.28% 0.148% 6607 1.0 306 256673 15763356 14061977 5-1 6: 148 133 190 106 149 92 0.964 42.90 -0.8 89 91 88 92 272 38.1 1.550 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9789 2203.0 23.5 scans 50% 134 m/z (190) 0.48% 0.241% 6622 0.9 362 150648 0.384% 25696955 24671280 40860709 0-1 13: 134 119 135 272 133 147 108 173 215 273 125 132 149 0.961 42.99 -0.6 89 93 90 92 272 58.9 2.653 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1112 ? Phyllocladene 43.1064 2210.1 >9 scans 32% 187 m/z (135) 0.74% 0.0598% 6644 0.9 210 97898 0.185% 6369304 6088755 19685498 1-0 18: 187 159 131 272 145 146 132 160 161 273 130 261 216 244 166 126 104 152 0.848 43.24 -7.3 75 80 64 79 272 58.0 7.609 -0.130 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2853 2220.2 9.2 scans 19% 159 m/z (137) 0.77% 0.0357% 6674 1.1 144 94289 3803920 3130415 1-3 18: 159 186 270 160 144 157 129 143 200 271 199 128 275 177 158 171 142 156 0.789 43.31 792.6 68 90 80 98 270 27.2 3.559 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.5061 2232.6 10.6 scans 49% 107 m/z (206) 0.23% 0.338% 6711 1.0 432 308876 0.357% 36033434 34205304 37987690 0-2 16: 107 161 93 105 69 119 41 91 121 55 108 162 77 122 67 133 0.632 43.15 19.8 77 84 52 80 272 55.0 0.000 0.352 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5450 2234.8 9.9 scans 11% 257 m/z (204) 1.2% 0.0441% 6718 0.6 166 58292 4699479 4350801 1-2 10: 257 216 137 201 215 217 177 258 191 242 0.139 43.55 -0.4 82 93 14 88 272 49.3 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1242 ?? Kaur-15-ene, (5?,9?,10?)- 43.6548 2240.9 7.5 scans 24% TIC 2.8% 0.00710% 6737 0.9 137 25547 756434 756434 0-0 0.714 43.66 -0.3 66 74 58 76 272 13.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N406_R~1-N1086 ? Verticiol 43.8183 2250.1 9.1 scans 73% 105 m/z (57) 0.57% 0.205% 6765 0.8 365 128424 0.218% 21854265 20671756 23196965 0-1 20: 105 135 107 119 161 272 136 121 81 79 147 187 95 160 77 133 203 162 134 145 0.978 43.85 812.1 74 96 97 96 272 55.5 2.309 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1238 ? Trachylobane 44.1471 2268.9 9.7 scans 40% 135 m/z (191 133) 0.69% 0.0959% 6820 0.8 255 106153 10210700 9832069 0-1 15: 135 122 149 257 216 276 136 165 272 201 277 150 98 258 92 0.929 44.15 -0.4 71 75 73 81 272 20.8 0.664 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.5314 2291.0 12.5 scans 63% 137 m/z (127) 1.6% 0.0824% 6885 0.7 202 45566 0.113% 8774747 8104252 12024115 0-2 18: 137 92 149 123 67 134 96 82 222 108 164 177 78 190 65 185 136 68 0.769 44.05 27.5 75 87 64 85 272 15.6 0.000 0.478 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5492 2292.0 9.2 scans 26% 191 m/z 1.2% 0.0228% 6888 0.9 135 56629 2430898 2206957 1-2 9: 191 109 133 121 135 107 132 192 97 0.558 44.55 -0.2 89 92 59 91 272 15.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0498 2320.8 8.5 scans 63% 191 m/z 0.88% 0.0698% 6973 0.9 252 83402 7427738 6947644 1-1 20: 191 123 82 137 81 69 97 125 273 192 109 95 124 67 55 79 93 96 41 83 0.915 45.56 -29.6 74 79 85 78 290 5.6 0.000 -0.513 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1234 ? Thunbergol 45.1867 2328.7 11.9 scans 32% 81 m/z (92) 3.3% 0.0355% 6996 0.9 135 22034 3778754 3444998 0-2 20: 81 141 161 192 71 257 147 272 108 105 136 203 134 133 82 127 120 146 80 204 0.509 44.90 16.5 73 86 58 83 272 8.6 0.000 0.286 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1156 ? Sclareolide 45.6100 2353.0 13.7 scans 85% 123 m/z (157) 0.10% 1.39% 7068 0.4 831 698254 148694565 142717164 2-1 20: 123 125 82 124 109 81 69 67 137 55 41 136 68 207 96 79 206 177 111 83 0.951 45.58 881.0 74 96 94 99 290 25.7 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4943 2403.9 11.4 scans 28% 95 m/z (190) 0.061% 1.41% 7218 0.3 843 1191274 150538373 143322160 1-3 19: 95 121 107 81 71 43 178 91 135 41 133 79 105 125 113 83 77 96 122 0.509 46.49 -0.1 83 90 40 85 290 151.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8627 2425.1 9.1 scans 18% 191 m/z (177) 0.60% 0.0614% 7280 1.2 207 121754 6542515 6189493 2-2 2: 191 192 0.813 46.86 0.2 92 98 81 96 290 26.4 1.626 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1152 UNK 47.18min 47.2051 2444.8 12.3 scans 67% 109 m/z 0.060% 0.779% 7338 0.4 729 1203966 82913456 77655726 2-1 20: 109 43 95 81 123 93 235 127 111 55 41 69 121 217 107 110 124 91 67 94 0.966 47.18 940.4 80 100 96 99 278 74.6 1.045 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3373 2452.5 12.2 scans 76% 119 m/z 0.10% 0.576% 7361 0.5 649 732623 0.789% 61334436 60372507 83955988 1-0 20: 119 84 81 191 95 69 79 135 93 55 109 178 41 43 148 121 107 67 105 91 0.979 47.36 -1.0 100 99 98 99 272 64.2 0.978 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1226 Sclareol 47.42min 47.4134 2456.8 >11 scans 64% 95 m/z (108) 0.38% 0.187% 7373 1.7 347 191435 19924248 19355653 0-1 20: 95 107 71 69 192 81 121 67 123 91 137 163 135 149 99 122 82 68 77 136 0.953 47.42 -0.3 83 85 84 90 290 39.1 1.265 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9506 2487.8 10.1 scans 78% 119 m/z (256) 0.20% 0.387% 7464 1.1 510 366613 0.686% 41251401 38642942 72995954 9-0 20: 119 84 81 95 43 178 79 69 71 53 55 93 107 135 121 41 195 109 67 91 0.919 47.95 0.2 87 89 92 89 272 47.6 0.870 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1150 ?? UNK 46.46min 48.0244 2492.0 10.0 scans 85% TIC 0.073% 0.407% 7477 1.0 562 1001872 0.734% 43412982 40246412 78103543 0-8 0.970 46.47 1002.7 69 85 85 98 235 87.8 2.444 1.559 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N407_R~1-N1154 UNK 48.48min 48.5026 2519.5 10.9 scans 93% 148 m/z 0.018% 1.75% 7558 0.5 1044 4052204 186903684 175433248 3-1 20: 148 95 133 109 69 161 108 43 162 41 96 81 55 178 67 121 107 71 79 91 0.997 48.48 981.3 81 100 100 100 286 136.7 1.716 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9347 2544.4 7.7 scans 29% 73 m/z 3.7% 0.00603% 7631 1.1 71 19421 642470 580247 2-8 17: 73 221 429 147 355 356 431 341 430 282 327 357 74 295 281 222 223 0.764 48.95 994.0 69 95 74 96 429 22.0 9.526 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8563 2712.5 8.6 scans 31% 221 m/z 5.1% 0.00480% 8126 1.0 60 14240 511345 468906 3-4 14: 221 73 147 355 281 357 503 430 282 246 429 431 267 356 0.689 51.86 1081.6 71 95 67 92 503 10.3 2.927 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 52.3179 2739.0 8.3 scans 46% 204 m/z (267) 5.6% 0.00830% 8204 0.9 78 13077 884015 805230 3-4 6: 204 109 133 148 161 120 0.845 45.98 1259.3 69 95 74 94 204 29.1 13.730 6.343 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1030 Pentacosane 54.6633 2874.0 8.5 scans 76% 57 m/z (356) 1.0% 0.0386% 8601 1.4 164 72331 4117153 3760818 3-5 20: 57 71 85 43 99 69 41 113 56 83 70 97 127 84 141 197 72 155 169 42 0.939 54.79 -7.3 93 96 90 94 352 11.0 0.450 -0.127 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP3.FIN HCMIX_~1-N1034 Heptacosane 59.7933 3169.1 12.1 scans 73% TIC 1.3% 0.0347% 9470 1.0 137 55401 3701842 3305982 4-5 0.840 59.97 -10.0 91 94 80 90 380 8.5 0.000 -0.174 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1883 773.3 5.0 scans 88% 77 m/z (73) 0.028% 0.285% 51 2.1 428 2155957 18807053 17308377 0-7 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 93 65 0.984 4.37 19.3 99 100 99 100 77 364.6 72.656 -0.183 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 7.2279 852.4 >6 scans 10% 208 m/z 3.3% 0.00248% 566 5.6 39 18605 163635 153659 0-2 2: 208 207 0.785 6.53 -124.4 73 96 74 95 207 33.9 74.042 0.700 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6819 864.3 9.3 scans 89% 69 m/z 0.34% 0.221% 643 1.7 299 177731 0.280% 14622854 14038092 18455563 1-0 20: 69 55 41 83 39 42 57 98 70 43 97 80 56 53 79 40 54 68 51 38 0.974 7.71 9.0 100 100 97 100 98 63.0 4.433 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.4051 987.2 >9 scans 32% 282 m/z (114) 2.4% 0.0102% 1443 8.7 66 25682 673263 652807 0-3 5: 282 93 281 249 284 0.557 12.22 40.9 85 95 60 97 281 39.8 35.836 0.185 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6796 994.4 11.4 scans 45% 81 m/z (107) 1.1% 0.0317% 1490 1.9 95 54438 2090755 1886973 2-3 4: 81 82 63 109 0.955 13.22 30.8 93 99 97 99 110 28.4 8.865 -0.542 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1022 ? Octanal 12.9323 1001.0 8.3 scans 40% 57 m/z (109) 2.5% 0.0413% 1532 1.6 124 24692 2725603 2339447 2-3 16: 57 56 84 41 43 44 55 82 69 42 85 68 67 100 71 58 0.911 12.96 -173.8 74 99 91 98 110 12.5 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1016 ?? Limonene 13.9069 1027.4 9.8 scans 16% TIC 5.5% 0.00577% 1697 1.2 55 11259 380395 360563 1-1 0.237 13.89 52.1 60 92 39 89 136 11.4 4.346 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1289 1033.4 12.3 scans 94% 79 m/z 0.043% 1.43% 1735 0.8 645 1424063 94592145 85650471 2-5 20: 79 108 107 77 51 91 78 50 80 89 90 65 39 63 52 53 74 105 75 38 0.997 14.11 54.4 92 100 100 100 108 284.9 19.507 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4571 1042.3 9.7 scans 76% 91 m/z 0.099% 0.221% 1791 1.7 279 626382 14591627 12718010 7-3 19: 91 92 120 65 99 98 63 39 89 51 44 42 62 41 90 50 121 64 60 0.955 14.44 57.5 90 99 97 99 120 91.9 10.826 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1808 1061.9 13.1 scans 68% 105 m/z 0.18% 0.226% 1913 2.2 242 337634 14950598 13799694 2-1 20: 105 77 123 51 46 50 106 78 74 53 76 67 52 75 38 61 47 40 95 65 0.750 15.17 64.5 88 99 96 99 123 85.6 12.489 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.2564 1064.0 >12 scans 61% 105 m/z (120) 0.48% 0.0831% 1924 999.0 158 126950 0.240% 5481590 5188663 15819054 0-1 12: 105 122 77 121 76 93 62 59 108 43 63 50 0.937 20.03 -6.7 69 69 66 77 122 25.8 2.648 -4.773 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN 98-86-2 ? Acetophenone 15.2741 1064.4 10.6 scans 18% 120 m/z (122) 1.6% 0.0209% 1929 1.7 82 37210 1379843 1289551 1-1 5: 120 150 125 112 89 0.848 15.29 -181.3 72 97 90 97 120 35.1 18.149 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4323 1068.7 9.6 scans 44% 95 m/z (57) 0.82% 0.0452% 1956 2.0 126 75312 2983057 2789988 1-3 9: 95 81 124 53 109 65 66 96 64 0.681 15.43 67.0 80 100 87 99 124 39.3 9.688 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.2127 1089.9 9.4 scans 23% 132 m/z 5.0% 0.00608% 2089 1.4 49 12292 401148 341518 2-3 11: 132 117 115 131 116 92 128 89 118 133 50 0.738 16.25 -184.7 73 97 70 95 132 27.5 31.188 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1002 Undecane 16.6094 1100.9 9.5 scans 52% TIC 1.5% 0.0256% 2155 1.0 116 40158 1692578 1554792 1-1 0.720 16.59 0.9 84 89 83 89 156 13.9 1.438 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1016 Nonanal 16.7854 1108.4 8.7 scans 84% 57 m/z 0.19% 0.372% 2185 1.1 397 323881 24566773 21286646 6-4 20: 57 41 56 43 55 98 70 44 69 82 68 95 96 81 67 39 42 54 114 45 0.963 16.82 86.0 81 98 95 97 124 24.4 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1008 ? Maltol 16.9312 1114.5 11.5 scans 52% 126 m/z (127) 1.4% 0.0328% 2209 1.6 106 43261 2167926 2063901 1-1 11: 126 97 112 55 52 54 53 51 80 125 60 0.843 16.96 89.9 70 92 72 93 156 3.4 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 16.9619 1115.8 9.7 scans 32% 71 m/z (126 97) 2.0% 0.0222% 2215 1.1 88 29901 1466380 1304032 1-3 7: 71 95 110 128 58 72 96 0.735 16.97 91.1 66 95 79 94 128 23.6 7.236 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0540 1119.7 10.0 scans 81% 91 m/z 0.10% 0.273% 2231 1.5 317 598808 18052899 16443116 2-3 20: 91 92 122 93 65 77 51 63 39 78 89 103 121 50 43 104 90 66 52 76 0.955 17.05 93.7 79 97 95 97 122 96.9 9.347 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1024 ? p-Cymene 17.7051 1147.2 8.7 scans 52% 119 m/z 1.8% 0.0197% 2341 1.3 95 32706 1300383 1188093 2-3 15: 119 91 134 77 79 92 105 117 115 78 103 106 51 135 63 0.774 13.76 -52.3 76 86 73 89 134 36.0 14.335 3.948 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0693 1162.6 11.2 scans 50% 355 m/z (106) 0.93% 0.0469% 2403 1.7 128 66475 3095622 2924217 2-3 15: 355 267 356 357 268 339 237 251 358 119 265 179 191 193 359 0.873 18.13 -169.1 76 99 81 98 355 54.0 17.788 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1018 ? Pyranone 18.1715 1166.9 10.2 scans 73% 144 m/z 0.29% 0.157% 2420 0.7 248 209216 10382532 9476037 2-4 16: 144 43 101 44 72 55 45 115 145 42 58 53 102 113 54 52 0.915 18.22 123.4 79 99 89 99 144 113.2 20.779 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN M4942-N1002 ? Pyranone 18.1721 1167.0 9.6 scans 71% TIC 0.30% 0.118% 2420 0.6 245 200886 7818824 7250923 1-1 0.912 20.04 -223.5 79 99 88 98 144 110.9 20.513 -1.870 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1266 ? Octanoic acid 18.3297 1173.6 >12 scans 62% TIC 2.4% 0.0348% 2447 0.7 119 25144 0.0578% 2299383 2097368 3809756 0-4 0.814 22.03 -135.5 75 97 94 98 175 0.0 0.000 -3.704 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.3303 1173.6 13.4 scans 40% 60 m/z 2.4% 0.0278% 2447 0.4 96 25106 1832391 1622417 1-6 15: 60 69 85 83 57 101 97 87 115 108 82 45 112 139 93 0.667 19.87 105.3 65 92 68 92 144 3.4 0.000 -1.541 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8285 1194.7 9.2 scans 54% 70 m/z 2.4% 0.0267% 2531 1.0 111 24853 1764102 1609571 1-2 17: 70 55 41 83 69 57 96 81 84 39 56 98 67 68 93 111 54 0.846 18.83 142.0 72 95 84 97 122 9.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1231 1207.1 8.4 scans 15% 82 m/z (109) 5.2% 0.00430% 2581 1.1 42 11935 283883 256183 1-5 3: 82 81 54 0.858 19.12 150.0 67 93 83 92 97 7.7 3.258 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8144 1236.3 9.3 scans 39% 57 m/z (119) 1.3% 0.0284% 2698 1.3 105 45623 1873550 1674219 2-1 16: 57 45 75 87 41 59 56 101 100 72 85 73 58 60 44 88 0.928 19.81 168.8 74 98 94 98 144 1.8 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1004 ? Dodecane 20.3173 1257.6 10.4 scans 19% 57 m/z 3.7% 0.00563% 2783 1.4 50 16369 371193 338237 1-1 8: 57 71 43 97 98 70 113 112 0.554 20.32 -0.1 71 83 50 79 170 8.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5275 1263.9 8.3 scans 89% 57 m/z (137) 0.39% 0.243% 2819 1.0 328 157458 16072395 14700344 6-3 20: 57 41 43 55 70 82 71 68 83 44 56 67 69 112 81 95 96 42 84 39 0.995 16.82 -27.5 70 72 86 75 124 2.5 0.000 3.712 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1034 ? Decanal 20.5275 1263.9 8.3 scans 85% 57 m/z 0.39% 0.218% 2819 1.0 322 156958 14388834 13160504 6-3 20: 57 41 43 55 70 82 71 68 83 44 56 67 69 112 81 95 96 42 84 39 0.958 20.57 -143.1 73 91 93 98 138 17.0 0.278 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9909 1277.8 9.0 scans 57% 137 m/z 1.0% 0.0636% 2897 1.0 169 57025 4196370 3779078 3-2 20: 137 152 109 91 123 77 93 81 67 121 41 95 79 39 65 53 55 107 51 136 0.763 21.00 192.5 65 85 63 84 155 0.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.2707 1346.3 >20 scans 86% TIC 0.19% 0.541% 3284 0.1 363 325379 0.584% 35717913 34205963 38493031 1-2 0.967 22.70 -129.0 77 95 94 99 158 25.0 0.474 0.575 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.2713 1346.3 >21 scans 85% 60 m/z 0.19% 0.583% 3284 0.1 361 325058 38482768 36114617 0-10 20: 60 73 57 41 55 115 129 43 69 87 61 98 39 101 83 45 42 74 56 96 0.966 25.35 197.1 77 96 95 99 162 0.0 0.000 -2.083 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0901 1371.6 7.2 scans 50% 73 m/z 0.41% 0.0738% 3422 1.0 199 148021 4867702 4602095 2-6 18: 73 341 429 342 325 343 430 147 431 326 74 207 327 311 82 45 81 148 0.788 24.17 -152.2 78 99 89 98 429 62.7 9.899 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5370 1386.5 8.3 scans 40% 71 m/z 1.1% 0.0237% 3498 0.9 111 53140 1565096 1431132 9-3 16: 71 57 85 43 113 41 84 127 70 56 155 112 126 72 42 145 0.749 24.54 249.2 72 95 73 92 169 13.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1006 ? Tridecane 24.5370 1386.5 8.3 scans 54% 71 m/z (82) 1.1% 0.0386% 3498 0.9 129 53234 2546754 2328765 9-3 16: 71 57 85 43 113 41 84 127 70 56 155 112 126 72 42 145 0.899 23.86 22.5 76 81 89 81 184 0.0 0.000 0.675 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6810 1391.4 8.7 scans 70% 43 m/z (136) 1.1% 0.0567% 3523 1.1 153 55180 3741893 3388577 1-6 20: 43 69 41 83 55 142 82 56 58 113 85 70 143 111 39 71 67 68 127 93 0.946 24.70 251.8 60 76 78 97 170 5.1 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.8575 1397.3 11.6 scans 27% 71 m/z 3.1% 0.00804% 3553 1.9 64 19533 530131 529859 1-0 18: 71 57 85 43 127 125 70 69 41 141 99 113 72 67 112 94 155 56 0.664 20.36 -2.9 69 79 60 76 170 4.0 0.000 4.500 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4272 1416.3 10.9 scans 94% 84 m/z 0.025% 1.28% 3649 0.9 678 2417301 84757873 80378252 1-3 20: 84 133 162 161 42 119 92 118 85 82 130 65 134 51 78 117 39 63 91 77 0.990 25.89 259.3 77 96 94 97 162 175.6 6.711 -0.465 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0111 1469.2 8.3 scans 87% TIC 0.27% 0.352% 3917 0.9 406 227714 23209399 20762357 5-8 0.971 27.02 295.8 80 99 96 99 208 7.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0973 1472.1 6.5 scans 29% 221 m/z 3.0% 0.00850% 3932 0.9 72 20205 560882 516531 2-2 16: 221 147 73 281 222 355 267 223 282 148 357 268 356 207 444 205 0.773 27.12 297.2 72 95 76 94 355 15.3 4.546 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1675 1474.4 7.7 scans 69% 57 m/z 0.62% 0.0477% 3944 1.3 160 99566 0.0667% 3147073 2894016 4396379 2-0 19: 57 71 85 43 41 56 55 70 99 198 84 42 113 83 98 154 127 112 54 0.942 27.21 -1.4 94 94 89 94 198 20.6 1.661 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1114 ? Caryophyllene 27.8364 1499.4 8.4 scans 69% 71 m/z 0.87% 0.143% 4057 1.0 258 71394 9451545 8693053 2-3 20: 71 93 133 91 57 41 79 69 43 85 70 77 55 120 81 119 161 67 148 106 0.817 27.84 314.0 76 99 86 98 204 18.0 0.490 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9745 1504.6 10.4 scans 76% 118 m/z 0.29% 0.141% 4080 1.8 225 213678 9329178 8929997 1-2 20: 118 146 145 105 78 119 104 63 42 117 91 147 65 41 64 39 77 50 89 90 0.950 27.93 317.9 78 99 94 99 146 99.8 19.661 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6593 1530.3 8.0 scans 82% 43 m/z 0.11% 0.311% 4196 0.9 391 543240 20503285 18708757 4-10 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 68 39 81 79 108 55 77 0.960 28.67 332.9 79 98 95 98 194 24.9 0.403 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0914 1546.6 7.5 scans 78% 71 m/z (123) 0.21% 0.203% 4270 1.1 318 287342 0.272% 13403821 12999359 17928261 1-0 20: 71 57 43 85 41 70 55 113 141 56 99 112 84 183 97 42 140 72 127 155 0.981 29.10 342.7 68 92 94 91 227 6.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5200 1562.7 7.2 scans 52% 73 m/z 0.59% 0.0583% 4342 1.1 176 104853 3844060 3567965 10-3 20: 73 281 147 327 415 282 503 341 283 399 328 221 504 505 416 329 325 148 417 74 0.911 29.61 -150.4 77 98 86 97 503 32.3 3.354 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6268 1566.7 10.6 scans 27% 61 m/z (43) 0.18% 0.186% 4362 1.1 255 337055 12324131 12324131 0-0 3: 61 194 49 0.784 29.68 354.1 73 97 88 98 158 144.2 31.895 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6534 1567.7 8.7 scans 62% TIC 0.069% 0.362% 4365 0.8 429 887817 23908136 23257489 2-1 0.725 29.68 355.2 72 96 58 93 192 51.4 1.440 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7537 1571.5 >9 scans 66% TIC 0.11% 0.0899% 4382 1.1 260 545668 0.256% 5926045 5561463 16873658 1-0 0.934 29.77 357.5 77 97 91 97 193 22.8 0.768 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8340 1574.5 8.6 scans 64% 105 m/z 0.23% 0.182% 4396 0.9 291 262454 0.216% 12044275 10903826 14237149 1-2 20: 105 91 161 93 107 121 133 79 204 94 119 77 106 147 80 189 95 148 124 81 0.951 29.85 359.4 79 98 91 98 204 47.5 2.669 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9426 1578.6 6.9 scans 55% TIC 0.29% 0.0804% 4414 0.8 266 213474 5299585 4776075 1-1 0.928 29.94 362.2 76 99 94 98 254 8.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.3252 1593.0 9.3 scans 33% 57 m/z (183) 0.81% 0.0391% 4479 1.1 133 76566 0.0601% 2581519 2581519 3961355 0-0 18: 57 71 43 85 212 56 99 179 98 42 213 154 84 126 86 113 97 169 0.853 30.38 -1.9 87 92 77 90 212 20.1 2.301 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5418 1601.8 7.8 scans 59% 191 m/z (69) 0.20% 0.0963% 4515 0.9 214 298715 6350017 5983197 2-2 12: 191 206 192 74 175 115 207 131 88 147 128 66 0.938 30.50 377.0 76 97 89 99 206 54.2 6.403 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8240 1613.7 8.2 scans 38% 124 m/z (57) 0.84% 0.0367% 4563 1.0 128 73711 2422829 2195411 6-2 6: 124 137 180 138 54 181 0.976 30.81 384.3 72 94 86 94 180 37.0 8.427 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.9202 1617.7 9.8 scans 31% 162 m/z (80) 0.96% 0.0377% 4579 1.2 114 64480 2485325 2189875 3-5 8: 162 147 161 163 145 131 115 63 0.852 30.88 1.7 70 75 58 74 204 2.9 0.000 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2083 1629.8 9.6 scans 57% 111 m/z 0.21% 0.174% 4628 0.8 272 283009 11509879 10758862 2-1 20: 111 109 137 180 67 110 124 95 79 112 39 81 77 69 93 65 165 53 152 91 0.811 31.18 394.8 77 97 79 97 180 65.5 5.808 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3305 1635.0 9.4 scans 87% TIC 0.12% 1.23% 4649 0.6 715 512107 81105426 75210054 1-2 0.936 31.35 397.5 80 100 98 100 194 151.1 4.463 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1128 Caryophyllene oxide 31.8925 1658.6 9.3 scans 88% TIC 0.17% 0.768% 4744 0.8 579 362566 50629525 47441224 2-1 0.982 31.90 412.8 80 100 98 99 220 43.3 0.561 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1102 ? UNK 31.99min 32.0354 1664.6 9.0 scans 59% 127 m/z (79) 0.033% 0.892% 4768 0.7 603 1869074 58828530 53580508 2-5 20: 127 85 75 129 74 128 59 98 126 84 45 101 100 143 169 87 99 216 113 130 0.860 31.99 417.4 74 98 88 98 129 144.4 5.735 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1841 1670.8 9.0 scans 63% 109 m/z (97) 0.17% 0.442% 4794 1.1 424 357496 29172851 26729272 1-3 20: 109 43 163 191 206 107 69 91 137 81 121 79 93 77 41 135 149 105 147 136 0.895 32.20 420.5 72 98 81 94 206 84.8 4.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2361 1673.0 9.2 scans 14% 57 m/z (97) 0.86% 0.0290% 4802 1.2 103 72131 1915420 1813860 1-0 10: 57 85 99 183 113 182 211 141 210 154 0.636 32.24 -0.1 66 74 41 71 226 7.6 0.544 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4415 1681.7 8.5 scans 42% 57 m/z (166) 0.76% 0.0644% 4837 0.9 169 81094 4249707 4034240 1-1 20: 57 71 85 197 56 41 43 55 95 196 69 152 175 83 99 193 113 135 70 110 0.798 32.44 -0.0 77 88 85 88 226 6.1 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1122 Longipinocarvone 32.5873 1687.8 9.0 scans 91% 134 m/z 0.10% 1.27% 4862 0.7 750 596792 83742676 79376569 2-1 20: 134 69 135 79 41 133 77 107 92 175 67 119 109 53 108 95 121 147 39 81 0.984 32.60 431.6 81 100 98 100 218 34.0 0.205 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1120 Caryophyllene oxide 32.8601 1699.2 8.8 scans 84% 79 m/z 0.17% 0.799% 4908 0.9 599 362382 52703405 47174168 2-9 20: 79 93 91 41 43 69 95 109 107 77 67 55 96 81 106 121 105 110 82 123 0.950 32.87 438.9 80 100 96 100 206 38.0 0.403 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1210 ?? Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9339 1702.3 >7 scans 29% 71 m/z 0.60% 0.0183% 4921 1.3 121 102178 1212589 1118155 0-1 20: 71 43 111 243 155 234 219 235 173 72 109 143 93 56 191 95 83 67 147 73 0.650 32.93 0.0 68 62 75 96 243 17.1 1.974 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0720 1708.2 13.2 scans 52% 69 m/z (109) 1.9% 0.0829% 4944 0.7 151 31085 5470307 4951135 2-2 17: 69 43 41 67 71 68 125 224 59 65 39 100 45 165 101 52 86 0.947 33.09 -0.5 89 95 94 97 224 8.8 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1206 ? Spathulenol 33.1948 1713.3 9.3 scans 43% 205 m/z (123) 2.1% 0.0478% 4964 1.1 140 29399 3154988 3049587 2-1 4: 205 58 187 206 0.917 32.67 21.8 70 74 70 79 220 5.5 0.000 0.520 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3140 1718.3 7.7 scans 72% 57 m/z (206) 0.32% 0.124% 4985 0.9 247 188844 0.161% 8174034 7914120 10611949 0-7 20: 57 71 85 43 41 99 55 56 70 226 113 69 42 84 98 112 83 126 127 72 0.963 33.37 -2.5 95 98 98 99 226 28.3 1.311 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1104 ? UNK 33.53min 33.5573 1723.4 8.8 scans 64% 75 m/z (195) 0.19% 0.285% 5026 1.0 337 325524 18843636 16890236 3-9 16: 75 127 85 74 97 159 126 128 166 84 59 101 45 129 157 124 0.920 33.53 453.2 71 93 80 93 166 53.7 2.542 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8985 1728.3 7.2 scans 37% 71 m/z 1.8% 0.0134% 5084 1.0 101 32781 883285 816855 2-1 18: 71 57 43 85 70 99 41 197 55 196 127 56 168 113 155 169 97 42 0.826 33.90 0.0 91 95 81 93 197 21.4 4.446 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1132 Longifolenaldehyde 34.1210 1731.5 9.3 scans 89% 109 m/z 0.066% 1.28% 5122 0.6 736 937882 84580053 78619805 5-2 20: 109 95 121 191 91 107 135 105 119 93 69 41 220 81 137 55 79 77 97 123 0.980 34.14 452.3 81 100 98 100 220 109.1 2.194 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2739 1733.7 7.2 scans 11% 57 m/z 1.6% 0.00823% 5148 1.1 83 38411 0.0107% 543011 543011 705266 0-0 15: 57 71 85 43 211 72 210 99 98 182 169 58 86 113 181 0.540 34.27 0.1 69 81 50 79 211 20.1 5.900 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3784 1735.2 7.3 scans 12% 73 m/z 0.83% 0.0390% 5165 0.9 145 74170 2573430 2414909 2-1 20: 73 355 221 281 147 356 401 357 403 402 267 415 222 327 74 282 283 207 328 326 0.851 34.39 452.2 76 97 78 96 415 18.6 1.652 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4770 1736.6 9.1 scans 82% 136 m/z 0.048% 1.43% 5182 0.6 826 1285027 1.55% 94901840 87066411 102164724 2-3 20: 136 91 79 41 69 105 93 107 135 109 67 77 81 55 119 121 137 133 53 149 0.981 34.50 452.0 75 93 95 97 218 0.0 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5714 1737.9 9.6 scans 68% 123 m/z 0.25% 0.455% 5198 0.9 449 240647 30050405 27188899 1-2 20: 123 69 163 196 125 43 82 95 71 67 83 41 81 68 55 138 122 72 124 58 0.880 34.61 451.6 79 100 97 100 6 0.0 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7355 1740.3 9.5 scans 47% 91 m/z 0.30% 0.0943% 5226 0.8 199 204974 6219397 5721764 3-4 19: 91 155 90 65 199 92 89 44 137 63 184 106 77 39 64 51 120 156 66 0.864 34.79 451.3 76 98 86 97 199 59.3 8.917 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9044 1742.7 8.4 scans 42% 68 m/z (124) 1.2% 0.0614% 5254 1.6 155 50880 4053496 3678185 3-2 3: 68 224 225 0.692 34.90 0.0 84 90 89 94 224 21.1 1.847 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6476 1753.3 9.3 scans 85% 71 m/z (209) 0.073% 1.40% 5380 0.7 742 840282 92413354 83380392 2-8 20: 71 97 83 69 55 191 109 81 95 43 67 41 137 57 82 153 177 72 121 206 0.993 35.70 450.6 73 96 97 95 224 26.9 0.000 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5668 1766.5 6.8 scans 23% 221 m/z (183) 1.8% 0.0218% 5536 0.9 106 34299 1438311 1309977 10-1 19: 221 73 147 281 222 369 282 296 295 223 341 297 325 355 283 371 370 74 267 0.795 36.58 450.0 73 98 88 97 369 17.6 2.754 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6895 1768.2 8.9 scans 74% 109 m/z 0.20% 0.283% 5556 0.8 367 303931 18680444 17345449 2-10 20: 109 220 43 135 123 124 91 205 81 97 221 77 79 149 121 136 69 95 105 93 0.948 36.70 449.7 80 100 94 99 220 123.2 11.285 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2197 1775.8 8.4 scans 84% 209 m/z 0.053% 0.590% 5647 0.9 529 1151285 38909789 36767248 2-2 20: 209 224 181 165 210 167 178 105 166 179 103 225 194 91 77 115 193 152 97 119 0.968 37.20 449.5 80 99 97 99 224 163.4 9.560 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1016 ? Octadecane 37.3035 1777.0 7.1 scans 37% 71 m/z (224) 1.2% 0.0362% 5661 1.3 142 48807 2389734 2389734 0-0 19: 71 85 57 43 99 113 127 84 169 126 56 69 70 155 41 100 141 112 111 0.982 38.91 -23.0 76 81 89 81 254 3.3 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9759 1786.6 9.3 scans 72% 177 m/z (221) 0.28% 0.575% 5774 0.6 468 219492 37950697 34002314 2-2 19: 177 109 192 84 123 87 238 71 94 122 83 136 107 149 223 135 110 205 178 0.980 37.98 448.0 75 95 94 100 238 66.1 1.991 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 8.5 scans 47% TIC 0.73% 0.0272% 5788 1.5 160 84547 1793158 1633883 0-2 0.899 38.06 448.1 74 95 86 94 225 34.1 4.547 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1028 ?? Contamination 38.59min 38.6099 1795.7 7.3 scans 29% 73 m/z 1.2% 0.0268% 5882 1.0 122 48319 1770090 1644415 2-2 18: 73 429 147 221 355 430 177 166 341 281 431 262 357 356 207 247 401 229 0.647 38.59 447.6 69 91 70 95 429 36.5 9.018 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4476 1866.6 7.4 scans 36% 74 m/z (119) 1.4% 0.0255% 6024 1.2 113 41557 1682086 1619968 1-1 17: 74 87 213 225 75 256 102 185 129 228 59 171 199 143 229 60 88 0.911 39.45 505.1 70 93 88 98 256 16.4 2.090 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.7959 1909.8 9.0 scans 94% 68 m/z 0.046% 2.33% 6083 0.5 1015 1335248 153869059 146296302 2-2 20: 68 95 82 123 69 81 57 55 83 67 43 97 41 71 109 96 124 111 79 56 0.996 39.94 540.7 80 99 99 99 278 58.3 0.330 -0.140 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8968 1922.3 7.2 scans 76% 58 m/z (226) 0.29% 0.236% 6100 1.1 344 213734 15607575 14049377 1-3 17: 58 43 71 59 57 85 55 109 110 124 83 56 70 250 113 96 111 0.982 39.88 554.0 76 98 98 99 250 36.9 1.146 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2026 1960.3 8.6 scans 80% 159 m/z (99) 0.29% 0.329% 6152 1.0 366 209638 21697192 19274302 9-3 16: 159 119 105 161 91 120 93 81 132 160 145 146 131 95 77 133 0.961 40.24 586.4 77 99 97 99 272 38.0 1.077 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3118 1973.8 7.7 scans 29% 149 m/z (207) 0.49% 0.0272% 6170 1.1 114 124934 1793827 1628856 2-2 10: 149 223 150 104 76 205 167 224 405 50 0.887 40.31 598.9 68 87 90 97 223 26.3 5.363 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1110 Phytol 40.3927 1983.8 8.0 scans 42% 81 m/z (177) 1.5% 0.0468% 6184 1.0 156 38883 0.0547% 3087669 3087669 3605426 0-0 19: 81 82 95 123 68 79 124 57 94 109 278 67 96 43 71 110 69 161 41 0.933 40.66 -33.4 80 88 89 92 278 18.4 1.388 -0.269 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6105 2010.8 6.7 scans 19% 221 m/z 2.8% 0.00972% 6221 1.1 75 21670 640772 576838 2-5 19: 221 73 295 207 281 222 296 283 223 355 208 297 282 327 74 369 371 356 341 0.822 40.63 630.7 71 97 79 95 369 13.9 3.439 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 40.6583 2016.8 7.6 scans 39% 119 m/z (82) 2.8% 0.0306% 6229 0.9 123 21787 2017769 1845130 1-1 18: 119 105 272 107 189 133 159 162 187 215 91 41 145 81 175 188 257 173 0.916 41.87 617.4 66 91 82 91 272 23.1 3.521 -1.212 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1092 ?? Benzocyclododecene, 2,3-diethyl-4a,5,6,7,8,9,10,11,12,13-decahydro- 40.6583 2016.8 7.6 scans 16% 119 m/z 3.0% 0.00856% 6229 0.9 80 20198 564837 516509 1-1 18: 119 105 272 107 189 133 159 162 187 215 91 41 145 81 175 188 257 173 0.425 42.21 610.9 66 90 37 87 272 23.1 8.330 -1.549 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1254 Phytol 40.8531 2040.9 9.2 scans 48% 82 m/z (203) 1.2% 0.0812% 6262 1.5 179 51700 5357274 4994921 1-1 16: 82 95 81 123 68 278 96 67 71 124 85 110 207 137 94 138 0.906 40.87 -1.8 91 96 93 96 278 25.5 2.027 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1148 ? UNK 40.98min 40.9747 2056.0 9.5 scans 51% 245 m/z 0.11% 0.194% 6282 0.9 296 524419 12838115 11115630 11-1 20: 245 122 246 135 43 123 91 260 105 131 77 95 79 41 136 119 145 107 117 93 0.812 40.98 670.5 79 99 81 99 260 42.9 2.107 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BQLD_R~1-N1056 ?? Homosalate 40.9990 2059.0 7.8 scans 11% 138 m/z (245) 1.3% 0.0313% 6286 0.8 122 46721 2066326 1856085 2-1 13: 138 120 124 139 92 83 82 125 68 63 355 262 140 0.789 41.00 673.2 66 93 77 96 262 15.2 1.548 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1144 Sclareoloxide 41.1176 2073.7 9.1 scans 90% 109 m/z 0.11% 1.15% 6307 0.7 709 558601 76064084 70932360 1-2 20: 109 81 191 95 262 43 123 121 177 107 69 229 93 55 41 79 67 91 135 71 0.983 41.13 685.9 80 100 98 100 262 142.6 4.046 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2557 2090.8 12.4 scans 21% 79 m/z (191) 0.38% 0.178% 6330 1.5 241 161226 11784656 11394465 1-2 19: 79 67 94 87 78 264 68 66 74 163 54 82 85 171 40 101 73 42 56 0.765 41.26 -0.2 78 90 65 83 264 20.1 0.697 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.2829 2094.2 9.5 scans 66% 191 m/z 0.044% 0.641% 6335 0.8 519 1406418 42301566 39771023 2-1 17: 191 119 80 121 192 43 135 93 95 189 107 109 136 69 83 133 229 0.786 41.29 703.8 79 100 78 99 229 46.8 0.814 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4482 2114.7 8.7 scans 57% 205 m/z (93) 0.47% 0.182% 6363 0.7 283 130574 12028298 11519411 3-1 17: 205 217 57 175 220 189 177 232 261 191 192 203 206 219 233 218 115 0.938 41.49 -81.9 78 96 82 95 276 22.0 0.605 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.5822 2124.6 8.8 scans 91% TIC 0.047% 1.63% 6385 0.8 840 1318523 107632677 99020949 2-6 0.987 41.76 726.9 80 99 98 100 272 227.7 7.346 -0.179 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0214 2149.2 8.6 scans 83% TIC 0.027% 1.58% 6460 0.7 849 2276180 104366085 97597454 3-2 0.898 42.01 747.2 78 99 95 99 272 23.5 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3591 2168.2 7.6 scans 11% 73 m/z 2.3% 0.0106% 6517 1.2 73 26131 701790 618846 10-5 18: 73 281 221 503 429 355 282 341 207 430 415 356 205 504 222 417 342 295 0.681 42.37 759.2 69 94 60 92 503 16.3 4.900 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1090 ? UNK 42.45min 42.3951 2170.2 9.3 scans 43% TIC 0.36% 0.0530% 6523 0.7 183 170920 3499110 3211766 2-1 0.720 42.45 759.6 73 100 81 99 272 29.9 0.000 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6460 2184.3 10.6 scans 79% 105 m/z (137) 0.26% 0.812% 6566 1.3 521 238146 53561941 48800621 2-3 20: 105 91 69 41 93 107 81 79 95 82 121 77 67 55 109 148 229 190 145 106 0.981 42.40 13.9 89 91 88 90 272 55.2 1.121 0.247 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.6460 2184.3 10.6 scans 60% 105 m/z (231) 0.26% 0.618% 6566 1.3 455 235852 40748378 37126103 2-3 20: 105 91 69 41 93 107 81 79 95 82 121 77 67 55 109 148 229 190 145 106 0.767 42.05 33.7 77 91 77 86 272 25.6 0.000 0.601 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8774 2197.3 9.2 scans 23% 148 m/z (191) 0.73% 0.0576% 6605 0.9 147 83988 3799931 3339479 4-1 3: 148 133 190 0.819 42.90 -1.4 82 88 65 87 272 12.6 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9671 2202.3 12.8 scans 34% 135 m/z (190) 1.3% 0.138% 6620 1.0 209 47104 0.208% 9110092 8790746 13709847 0-1 18: 135 134 272 133 147 273 141 161 162 215 125 230 217 151 203 236 166 106 0.917 42.99 -1.3 84 89 82 88 272 32.3 2.392 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1112 Phyllocladene 43.1672 2213.5 8.7 scans 67% 187 m/z (83) 0.20% 0.330% 6654 0.7 371 304836 0.382% 21759658 20796087 25178661 0-1 19: 187 134 161 105 119 272 91 159 188 162 41 189 81 145 163 273 160 117 106 0.972 43.24 -3.9 97 99 95 99 272 85.7 5.352 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.2688 2219.2 8.6 scans 20% 159 m/z 0.56% 0.0261% 6671 1.2 123 109682 0.0374% 1725999 1619568 2465136 1-0 18: 159 186 270 157 160 129 144 143 128 131 199 158 232 172 171 271 142 290 0.702 43.31 791.6 71 96 70 95 270 28.3 5.341 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.5155 2233.1 >18 scans 32% 173 m/z (216) 0.94% 0.155% 6713 1.4 208 65465 10248360 9960517 1-1 19: 173 178 176 260 191 258 257 111 201 199 227 113 261 171 197 167 97 192 87 0.298 43.15 20.3 81 88 36 87 272 37.1 3.174 0.362 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.6460 2240.4 7.0 scans 37% 93 m/z (245) 4.8% 0.0279% 6735 1.1 125 12927 1842059 1806504 0-1 20: 93 69 133 107 91 177 79 105 187 134 119 55 121 131 229 77 81 148 216 95 0.908 43.55 5.2 74 79 79 80 272 9.0 0.524 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1238 ? Trachylobane 43.8131 2249.8 8.4 scans 77% 105 m/z (70) 0.69% 0.229% 6763 0.7 306 89429 0.255% 15094518 13660204 16807745 0-5 20: 105 107 135 93 69 91 161 119 41 81 121 272 136 79 147 187 95 77 133 203 0.992 44.15 -19.5 78 80 82 80 272 47.5 2.408 -0.341 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N406_R~1-N1086 ? Verticiol 43.8136 2249.8 8.9 scans 73% TIC 0.63% 0.200% 6763 0.8 298 97632 0.234% 13216952 12027258 15423578 0-3 0.885 43.85 811.8 76 97 86 96 272 47.5 2.543 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8615 2252.5 10.0 scans 15% 57 m/z (105) 3.1% 0.0147% 6771 1.0 72 19990 970475 879639 2-2 13: 57 99 113 127 72 218 178 112 268 169 239 207 183 0.596 43.94 -4.2 62 88 65 83 282 4.6 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5368 2291.3 9.2 scans 29% 191 m/z (145) 3.9% 0.0191% 6886 1.1 88 15552 1260953 1195603 1-1 5: 191 132 192 286 272 0.834 44.55 -0.9 85 92 80 92 272 8.4 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0392 2320.2 8.2 scans 58% 191 m/z 1.6% 0.0456% 6971 0.9 161 38135 3009767 2767490 1-1 20: 191 123 82 137 81 273 69 192 109 125 95 177 124 93 190 97 83 43 41 55 0.870 45.56 -30.2 75 79 79 79 290 6.5 0.000 -0.524 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1234 ?? Thunbergol 45.1572 2327.0 9.6 scans 14% TIC 4.5% 0.00821% 6991 1.4 69 13699 541126 539377 0-2 0.266 44.90 14.8 68 76 23 70 272 2.7 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1156 ? Sclareolide 45.5516 2349.7 9.8 scans 82% 123 m/z (195) 0.26% 0.662% 7058 0.8 499 232177 43691546 40574313 4-3 20: 123 109 43 125 82 124 81 69 67 55 41 137 107 121 235 68 136 79 93 96 0.904 45.58 877.7 73 94 92 100 290 15.8 0.100 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1136 2382.0 8.3 scans 71% 79 m/z (191) 0.20% 0.427% 7153 1.1 423 306684 28176690 25974031 2-4 13: 79 67 108 93 80 91 94 77 59 78 87 122 74 0.942 46.13 -1.2 93 96 94 98 292 30.8 0.530 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7618 2419.3 7.8 scans 38% TIC 0.51% 0.0298% 7263 1.4 184 120258 0.0542% 1967307 1851717 3572470 1-0 0.900 46.76 924.2 76 97 85 96 298 36.5 3.946 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8397 2423.8 8.9 scans 11% 191 m/z (290) 1.6% 0.0222% 7276 1.3 95 38033 1463628 1362103 4-2 2: 191 233 0.790 46.86 -1.1 89 94 67 91 290 13.3 1.967 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1152 ? UNK 47.18min 47.1230 2440.1 9.4 scans 70% 109 m/z (196) 0.14% 0.474% 7324 0.8 421 414536 31266388 27492773 7-2 16: 109 43 95 81 123 93 137 235 127 41 55 111 217 79 110 278 0.993 47.18 935.7 77 99 99 99 278 42.2 1.004 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 47.2293 2446.2 >13 scans 9.9% 290 m/z 0.77% 0.0182% 7342 3.6 83 80606 1199806 1199806 0-0 4: 290 177 195 218 0.091 46.49 42.2 80 98 18 92 290 22.0 0.000 0.734 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2854 2449.5 9.5 scans 80% 134 m/z (145) 0.23% 0.395% 7352 0.6 394 268690 26077940 24454122 2-1 20: 134 119 84 81 191 69 95 79 135 55 93 109 41 43 123 178 107 121 91 148 0.992 47.36 -4.0 98 99 99 100 272 39.1 0.988 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1226 Sclareol 47.42min 47.3592 2453.7 11.5 scans 31% 177 m/z (192) 1.5% 0.0350% 7365 1.7 113 39832 2311994 2244531 0-1 15: 177 195 290 69 71 291 83 178 137 221 125 113 196 176 194 0.827 47.42 -3.4 81 88 70 86 290 18.8 2.736 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9218 2486.1 9.9 scans 73% TIC 0.49% 0.209% 7459 1.2 299 124739 0.309% 13831020 12619890 20367032 10-0 0.847 47.95 -1.5 87 89 87 88 272 26.8 0.801 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1150 ?? UNK 46.46min 47.9938 2490.2 >10 scans 72% TIC 0.32% 0.109% 7472 1.2 237 191774 0.287% 7242790 6962048 18916952 0-1 0.919 46.47 1000.9 67 85 81 97 235 37.8 2.550 1.529 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN N407_R~1-N1154 UNK 48.48min 48.4513 2516.6 9.0 scans 93% 148 m/z 0.040% 0.860% 7549 0.9 617 1524522 56746754 53846776 2-2 20: 148 95 149 133 69 43 161 108 41 286 162 55 81 67 121 79 71 107 122 91 0.990 48.48 978.4 81 100 99 100 286 78.2 1.608 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9348 2544.4 7.9 scans 35% 73 m/z 4.0% 0.00774% 7631 1.2 62 15347 510337 473208 2-4 17: 73 221 355 147 429 430 281 356 431 207 282 341 222 357 327 295 205 0.723 48.95 994.0 69 96 70 95 429 19.4 9.776 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3480 2625.7 7.9 scans 44% 74 m/z (93) 2.3% 0.0172% 7870 1.1 89 26045 1138126 1025904 4-4 11: 74 87 326 283 327 129 88 199 143 227 241 0.887 50.36 1038.7 70 95 85 94 326 18.3 4.255 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8522 2712.2 8.0 scans 39% 73 m/z 4.7% 0.00649% 8125 1.1 57 13148 428186 399695 1-5 17: 73 147 221 355 281 503 431 429 295 282 222 357 148 430 149 327 75 0.697 51.86 1081.3 71 95 67 92 503 9.7 2.872 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1030 ? Pentacosane 54.6657 2874.1 8.8 scans 40% 71 m/z (73) 5.5% 0.00955% 8601 1.1 60 11142 629854 538509 7-4 11: 71 43 141 127 84 113 111 99 58 70 140 0.771 54.79 -7.2 74 83 70 78 352 5.0 0.000 -0.124 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP4.FIN HCMIX_~1-N1034 ? Heptacosane 59.7850 3168.6 12.6 scans 47% 57 m/z (281) 6.5% 0.00945% 9469 1.4 51 9508 623251 546313 6-4 14: 57 43 71 85 113 41 55 99 111 169 112 97 96 98 0.722 59.97 -10.5 73 80 66 76 380 4.2 0.000 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1918 773.4 5.8 scans 91% TIC 0.037% 0.244% 52 2.8 350 1486078 14781883 13597129 1-6 0.972 4.37 19.4 99 99 98 99 77 298.3 72.826 -0.179 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.2290 826.4 9.9 scans 50% 57 m/z (102) 1.1% 0.0277% 397 0.6 89 49215 1677697 1477246 2-6 16: 57 41 56 44 43 45 72 39 82 67 87 58 71 55 53 60 0.726 6.03 -135.2 63 88 82 88 102 3.6 0.000 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 7.2408 852.8 >6 scans 14% 81 m/z 3.6% 0.00226% 568 5.2 38 15036 136683 132573 0-4 6: 81 208 209 191 177 133 0.786 6.53 -124.0 73 96 79 96 207 30.0 63.533 0.713 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6865 864.4 8.6 scans 89% 55 m/z 0.27% 0.298% 644 2.3 311 199947 18051115 16481616 1-3 20: 55 69 41 83 39 42 57 98 70 97 56 43 80 53 40 79 54 68 51 38 0.965 7.71 9.1 100 100 96 100 98 64.0 4.248 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.4281 987.8 >11 scans 31% 81 m/z (69) 3.4% 0.0121% 1447 1.0 58 16062 731751 623709 2-4 7: 81 281 82 138 94 53 282 0.798 12.22 41.5 81 90 38 98 281 30.4 27.052 0.208 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6860 994.5 >10 scans 55% TIC 1.4% 0.0113% 1491 1.0 78 38305 686795 630617 4-0 0.860 13.22 30.9 89 93 83 97 110 24.5 9.868 -0.536 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1382 1033.7 12.1 scans 95% 79 m/z 0.037% 1.56% 1736 0.7 647 1475590 94285399 85960775 2-6 20: 79 108 107 77 51 91 78 50 80 90 89 109 65 39 63 53 52 74 105 62 0.996 14.11 54.7 92 100 100 100 108 287.5 19.751 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4594 1042.4 9.2 scans 65% 91 m/z 0.17% 0.112% 1791 1.6 192 326276 6791808 6128559 4-3 15: 91 92 120 65 63 89 51 90 121 62 50 64 75 66 93 0.923 14.44 57.6 90 99 91 99 120 66.0 11.778 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1814 1061.9 11.5 scans 70% 105 m/z 0.15% 0.235% 1913 2.1 242 358113 14229451 13363796 2-1 20: 105 77 123 51 46 106 50 78 124 74 76 75 53 79 40 64 63 49 86 37 0.910 15.17 64.5 89 99 96 99 123 86.5 12.790 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1967 1062.3 11.5 scans 23% 94 m/z 0.51% 0.0669% 1916 1.4 134 107729 4043159 3633533 3-3 15: 94 109 66 39 106 53 110 93 38 40 65 80 104 95 37 0.772 16.11 -207.9 77 99 87 98 109 73.9 30.223 -0.912 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN 98-86-2 ? Acetophenone 15.2670 1064.2 >11 scans 57% 105 m/z 0.48% 0.0532% 1927 999.0 135 114599 0.176% 3217484 3013758 10628345 0-2 12: 105 49 43 50 51 125 117 75 121 74 73 85 0.947 15.29 -181.5 75 95 90 98 120 36.6 7.372 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.4346 1068.8 8.8 scans 48% 95 m/z (99) 0.83% 0.0390% 1956 1.5 116 66636 2357023 2164248 1-5 8: 95 81 124 109 65 82 96 64 0.676 15.43 67.1 79 99 84 98 124 36.7 10.014 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1028 ?? p-Cymenene 16.2133 1089.9 9.0 scans 22% 132 m/z (113) 8.5% 0.00420% 2089 1.5 38 6476 253901 233794 3-1 4: 132 117 116 131 0.545 16.25 -184.7 65 96 63 96 132 19.7 26.316 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7818 1108.2 8.4 scans 80% TIC 0.49% 0.109% 2184 1.0 229 112889 0.135% 6610592 6346297 8152424 0-1 0.980 16.82 85.8 79 95 94 95 124 13.7 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9512 1115.4 9.6 scans 36% 43 m/z (126) 1.8% 0.0197% 2213 1.1 86 29554 1192578 1117536 1-0 13: 43 70 57 134 72 45 78 42 112 54 129 86 41 0.932 16.97 90.7 74 94 90 97 128 22.8 7.090 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0563 1119.8 9.9 scans 87% 91 m/z 0.092% 0.315% 2231 1.5 324 604448 19040586 17457756 2-3 20: 91 92 122 93 77 65 51 39 78 63 121 89 103 136 50 43 104 123 94 62 0.991 17.05 93.8 76 92 91 95 122 94.1 8.422 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0752 1162.9 11.7 scans 32% 355 m/z 1.3% 0.0253% 2403 1.8 90 41068 1530302 1426001 2-2 16: 355 267 356 268 357 207 269 237 358 223 340 270 324 154 162 133 0.636 18.13 -168.8 77 98 52 97 355 49.6 30.494 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN M4942-N1002 ? Pyranone 18.1678 1166.8 9.5 scans 74% TIC 0.41% 0.0881% 2419 0.7 192 132492 0.106% 5323017 4565427 6401162 4-1 0.900 20.04 -223.7 79 99 86 98 144 89.1 21.623 -1.874 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.3568 1174.8 14.5 scans 58% 55 m/z (83) 3.1% 0.0366% 2451 0.6 93 17600 2210674 2082889 2-1 10: 55 85 45 108 61 107 56 95 71 79 0.856 19.87 106.5 68 93 81 94 144 2.7 0.000 -1.514 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1266 ?? Octanoic acid 18.3727 1175.4 11.8 scans 45% 60 m/z 3.1% 0.0228% 2454 0.4 82 17828 1378941 1182819 4-5 16: 60 69 85 84 73 87 97 101 41 115 59 57 88 45 108 74 0.780 22.03 -133.7 69 93 75 91 175 0.0 0.000 -3.661 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8272 1194.6 8.9 scans 49% 70 m/z (71) 5.0% 0.0158% 2531 1.1 74 11061 957739 851335 2-3 10: 70 83 69 41 93 97 84 57 96 111 0.951 18.83 141.9 66 88 82 95 122 6.5 0.774 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1177 1206.9 7.9 scans 20% 82 m/z (107) 6.1% 0.00306% 2580 1.9 36 9106 185348 183711 0-3 3: 82 81 54 0.767 19.12 149.8 62 92 77 90 97 5.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.2446 1212.3 12.5 scans 33% 105 m/z 1.5% 0.0208% 2601 0.5 79 36079 1260716 1139436 3-0 12: 105 77 119 106 122 51 50 134 76 123 45 89 0.916 20.03 141.6 73 94 84 93 122 40.2 25.812 -0.784 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7606 1234.1 11.3 scans 60% 119 m/z (57) 0.49% 0.0658% 2689 1.2 139 113363 3976098 3673872 2-3 11: 119 91 134 65 120 51 92 67 136 50 64 0.959 13.76 34.6 75 81 70 83 134 47.3 11.501 6.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8036 1235.9 8.0 scans 67% 57 m/z 0.35% 0.0855% 2696 1.1 197 155114 5166319 4707206 2-3 19: 57 45 41 75 87 56 101 89 100 72 59 85 60 73 58 44 131 132 55 0.968 19.81 168.4 77 96 93 99 144 5.2 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5280 1263.9 8.3 scans 75% 57 m/z 1.0% 0.0744% 2819 1.0 178 51103 4495385 3974267 6-2 20: 57 41 55 43 70 82 71 68 44 112 81 83 69 56 96 67 95 84 42 39 0.949 20.56 185.2 76 94 96 99 128 16.3 0.840 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1034 ?? Decanal 20.5280 1263.9 8.3 scans 79% 57 m/z (119) 1.0% 0.0875% 2819 1.0 183 51119 5284268 4671701 6-2 20: 57 41 55 43 70 82 71 68 44 112 81 83 69 56 96 67 95 84 42 39 0.974 20.57 -143.1 69 87 92 99 138 9.4 0.266 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1868 1283.7 8.2 scans 9.9% 281 m/z 1.4% 0.0117% 2930 1.8 63 39473 709134 602356 2-6 14: 281 282 251 265 249 207 284 134 193 194 223 208 266 165 0.751 12.25 130.6 75 97 65 96 281 48.6 59.107 8.936 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.0363 1339.2 >12 scans 73% 60 m/z 0.54% 0.106% 3244 0.3 196 102604 6445583 6082943 0-5 20: 60 73 57 129 115 55 41 43 69 98 87 45 70 39 56 74 101 42 83 158 0.962 22.70 -136.1 76 95 95 98 158 14.1 0.518 0.340 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.0363 1339.2 >12 scans 72% 60 m/z (135) 0.56% 0.124% 3244 0.3 195 98498 7512968 7090275 0-5 20: 60 73 57 129 115 55 41 43 69 98 87 45 70 39 56 74 101 42 83 158 0.967 25.35 190.0 71 92 90 95 162 0.0 0.000 -2.318 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8356 1363.2 17.4 scans 30% TIC 2.5% 0.0101% 3379 1.2 69 22080 0.0137% 611548 590083 827320 1-0 0.517 23.86 -0.8 73 81 62 79 184 10.0 2.089 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0894 1371.6 7.1 scans 48% 341 m/z 0.51% 0.0596% 3422 1.1 170 108510 3600494 3454966 1-5 15: 341 73 429 342 325 343 147 430 431 326 80 74 344 207 432 0.660 24.17 -152.2 77 98 85 98 429 54.5 10.305 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6845 1391.5 9.0 scans 62% 43 m/z (123) 1.4% 0.0384% 3523 1.1 118 37499 2321293 2091444 1-8 16: 43 69 83 41 142 55 82 58 113 111 56 70 71 127 68 143 0.958 24.70 251.9 64 82 83 97 170 3.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN GLAU_R~1-N1084 ?? Pentadecane 24.8716 1397.7 >10 scans 40% TIC 4.2% 0.00482% 3555 1.0 62 13093 0.00975% 291108 271294 588786 1-0 0.809 24.54 260.4 69 95 82 94 169 6.9 0.000 0.330 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4094 1415.7 11.5 scans 93% 84 m/z 0.012% 2.75% 3646 0.6 924 4412040 166461818 152737943 2-6 20: 84 133 161 42 119 92 118 85 130 82 65 78 51 39 91 63 120 105 52 41 0.998 25.89 258.7 78 97 95 97 162 244.6 7.007 -0.483 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0069 1469.0 8.2 scans 85% 136 m/z 0.33% 0.261% 3916 1.0 335 163638 15775728 14890483 2-6 20: 136 121 43 69 93 161 109 95 79 81 176 107 41 67 123 91 77 179 105 55 0.963 27.02 295.6 80 99 96 99 208 6.9 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0942 1472.0 6.9 scans 30% 221 m/z 3.3% 0.00829% 3931 0.9 65 16760 500901 471591 1-2 18: 221 147 73 222 355 267 180 223 283 281 282 443 357 356 165 269 444 74 0.806 27.12 297.1 72 95 76 94 355 13.9 4.578 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.7 scans 73% 57 m/z (101) 0.66% 0.0548% 3944 1.2 151 84169 0.0706% 3311231 3051892 4263416 2-0 20: 57 71 85 43 41 56 55 70 99 198 84 42 155 98 69 112 113 72 127 126 0.964 27.21 -1.3 95 98 96 98 198 19.6 1.673 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1114 ? Caryophyllene 27.8404 1499.5 8.5 scans 72% 133 m/z 0.65% 0.176% 4058 1.0 272 84887 10634103 9833318 2-1 20: 133 93 91 79 69 41 71 105 107 57 120 43 77 121 55 81 70 161 119 67 0.832 27.84 314.1 74 95 79 99 204 20.0 0.538 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9543 1503.8 11.1 scans 75% 118 m/z 0.21% 0.183% 4077 1.7 242 257676 11097314 10214667 1-2 20: 118 146 145 105 78 119 51 104 147 91 65 42 63 41 39 77 64 76 50 89 0.941 27.93 317.1 79 99 92 98 146 108.3 20.050 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6557 1530.2 7.9 scans 82% 43 m/z (127) 0.18% 0.221% 4196 1.1 296 305088 13401520 11677335 7-12 20: 43 69 41 151 136 107 67 125 93 109 83 121 81 53 39 68 108 79 55 133 0.988 28.67 332.8 78 99 99 99 194 18.6 0.393 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0890 1546.5 7.5 scans 74% 71 m/z (123) 0.29% 0.152% 4269 1.4 254 190495 0.202% 9235569 8324443 12198442 2-0 20: 71 57 43 85 41 70 141 55 113 56 99 112 84 97 183 42 140 127 179 155 0.982 29.10 342.6 71 94 94 93 227 5.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5193 1562.7 7.1 scans 52% 73 m/z 0.68% 0.0500% 4342 1.0 156 81466 3024858 2840824 9-2 20: 73 281 147 327 282 415 503 341 283 328 221 504 416 417 325 148 505 74 149 385 0.913 29.61 -150.4 78 98 87 97 503 28.6 3.376 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 29.5695 1564.5 9.2 scans 7.9% 175 m/z (73) 2.4% 0.00641% 4350 1.0 49 22634 387271 366950 1-3 4: 175 190 176 138 0.352 22.01 464.1 61 87 54 86 190 19.4 15.706 7.559 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1044 ? b-Ionone 29.6515 1567.6 8.5 scans 51% TIC 0.072% 0.282% 4364 0.8 361 769580 17063122 15689510 2-1 0.619 29.68 355.1 71 95 48 92 192 47.6 1.744 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7519 1571.4 8.7 scans 65% TIC 0.12% 0.0840% 4381 1.4 230 452966 0.198% 5073793 4686741 11956888 1-0 0.935 29.77 357.4 76 96 90 96 193 20.8 0.815 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8328 1574.4 8.3 scans 61% 105 m/z (158) 0.29% 0.155% 4395 1.0 246 186575 0.192% 9385161 8515702 11594558 1-2 20: 105 161 91 93 107 121 133 79 204 119 94 106 77 189 95 80 124 81 108 162 0.965 29.85 359.3 78 100 95 99 204 38.7 2.465 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9414 1578.5 9.1 scans 71% 71 m/z (145) 0.27% 0.207% 4414 0.7 263 202791 12540135 11709896 1-2 20: 71 85 57 43 99 113 41 127 69 55 155 84 70 56 169 83 86 126 72 42 0.977 29.94 362.1 76 98 98 99 254 6.8 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3381 1593.4 >1 scans 48% TIC 0.72% 0.0108% 4481 0.4 144 76336 0.0560% 652727 652727 3381746 0-0 0.905 30.38 -1.5 90 91 84 92 212 16.6 1.326 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5294 1601.3 8.0 scans 64% 191 m/z (59) 0.18% 0.104% 4513 1.0 209 307163 6304069 5982674 2-1 16: 191 206 192 163 74 175 115 148 207 88 128 147 135 133 73 161 0.942 30.50 376.5 77 99 93 99 206 55.2 6.966 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8222 1613.6 8.1 scans 47% 124 m/z (71 157) 0.89% 0.0401% 4563 0.8 127 62275 2422713 2268091 4-3 4: 124 137 180 54 0.954 30.81 384.2 74 98 92 98 180 35.7 7.916 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.8966 1616.7 8.7 scans 49% 111 m/z (172) 1.9% 0.0412% 4575 1.0 126 29074 2490176 2366607 0-1 19: 111 161 99 141 43 101 95 91 131 79 134 55 145 103 100 148 70 41 133 0.941 30.88 0.7 68 64 41 89 204 11.8 0.874 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2012 1629.5 9.6 scans 60% 111 m/z 0.24% 0.161% 4627 0.9 247 226015 9771888 9150137 2-1 20: 111 109 137 180 67 110 124 152 41 95 79 39 81 55 77 112 165 138 53 65 0.827 31.18 394.5 77 98 83 98 180 58.5 5.613 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3263 1634.8 9.2 scans 88% TIC 0.13% 1.13% 4648 0.7 652 426935 68533787 64758742 2-2 0.931 31.35 397.3 80 100 98 100 194 138.1 4.489 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1128 Caryophyllene oxide 31.8913 1658.5 9.2 scans 90% TIC 0.14% 0.890% 4744 0.9 585 378917 53768349 50696672 2-1 0.985 31.90 412.7 80 99 99 99 220 43.9 0.562 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1102 ? UNK 31.99min 32.0253 1664.2 8.8 scans 60% 127 m/z (137) 0.037% 0.712% 4766 0.8 513 1498402 42999668 39255646 2-6 18: 127 85 75 129 74 128 59 98 126 45 101 100 169 87 143 216 113 153 0.998 31.99 417.0 73 94 89 95 129 125.9 6.017 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1805 1670.7 8.9 scans 68% 109 m/z (208) 0.18% 0.401% 4793 1.1 385 300234 24223290 22151968 1-3 20: 109 163 43 191 206 107 69 137 91 81 93 121 77 135 79 149 147 105 136 119 0.961 32.20 420.4 72 95 87 93 206 80.0 4.314 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2348 1673.0 9.3 scans 9.5% 57 m/z (197) 1.0% 0.0171% 4802 1.3 71 53601 1035311 941868 1-4 10: 57 85 183 99 182 113 141 184 211 154 0.289 32.24 -0.1 64 78 26 73 226 5.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4409 1681.6 8.9 scans 44% 57 m/z (177) 0.91% 0.0624% 4837 0.9 152 61045 3771386 3473394 1-1 20: 57 71 85 56 41 197 43 55 196 113 68 99 70 139 42 175 111 83 97 122 0.674 32.44 -0.1 86 96 88 97 226 5.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1122 Longipinocarvone 32.5879 1687.8 8.9 scans 91% 134 m/z 0.088% 1.42% 4862 0.6 753 629768 86163669 80778794 2-1 20: 134 69 91 79 41 135 93 133 107 77 105 92 67 119 109 147 39 108 95 121 0.983 32.60 431.6 81 100 98 100 218 34.8 0.214 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1120 Caryophyllene oxide 32.8553 1699.0 8.7 scans 83% 79 m/z 0.22% 0.602% 4907 0.8 494 248342 36373274 32675680 1-9 20: 79 93 91 41 43 95 69 109 107 55 96 77 67 106 81 105 121 110 82 123 0.970 32.87 438.7 80 100 96 99 206 37.5 0.575 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9338 1702.3 7.5 scans 34% 71 m/z 0.44% 0.0240% 4921 1.1 117 126034 1452372 1413001 0-1 18: 71 43 111 123 234 243 159 155 72 173 98 143 56 244 83 235 73 89 0.808 32.93 0.0 93 98 94 97 243 20.5 3.059 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0849 1708.7 8.8 scans 42% 97 m/z (109) 2.5% 0.0410% 4946 0.6 119 22234 2476944 2350866 1-1 16: 97 83 57 55 70 56 84 98 112 82 42 68 86 54 139 140 0.932 33.09 -0.0 88 94 94 96 224 7.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3145 1718.3 7.4 scans 74% 57 m/z (105) 0.34% 0.116% 4985 0.9 229 163086 0.156% 7048207 6784941 9420579 0-1 19: 57 71 85 43 41 99 55 56 70 113 69 226 127 84 42 98 112 72 58 0.954 33.37 -2.5 95 97 98 99 226 26.0 1.285 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1104 ? UNK 33.53min 33.5519 1723.4 9.7 scans 58% TIC 0.25% 0.176% 5025 0.7 260 220040 0.301% 10650755 10062075 18176886 2-0 0.748 33.53 453.2 73 94 69 93 166 45.3 3.029 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8954 1728.3 7.4 scans 49% 71 m/z (247) 2.2% 0.0242% 5084 1.0 103 25038 1467076 1305998 1-2 19: 71 43 57 85 70 197 169 127 168 99 196 41 55 113 81 56 141 155 72 0.898 33.90 -0.0 85 88 87 95 197 18.5 3.206 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1132 Longifolenaldehyde 34.1156 1731.4 9.0 scans 89% 109 m/z 0.069% 1.13% 5121 0.8 672 799132 68768845 64508570 5-1 20: 109 95 121 191 91 107 135 105 119 69 93 220 41 81 137 55 79 97 77 123 0.981 34.14 452.2 81 100 98 100 220 100.5 2.236 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2750 1733.7 7.3 scans 8.4% 57 m/z 2.0% 0.00461% 5147 1.3 62 26881 0.00793% 278577 278577 478879 0-0 19: 57 71 85 210 98 72 113 43 211 182 58 123 155 183 101 142 127 139 125 0.467 34.27 0.1 66 85 40 80 211 17.3 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3783 1735.2 7.1 scans 13% 73 m/z (188) 0.91% 0.0387% 5165 1.1 136 60704 2339964 2208531 2-2 19: 73 355 221 281 356 401 357 223 74 222 402 267 327 207 283 385 329 325 416 0.877 34.39 452.2 74 98 87 97 415 17.7 1.695 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4698 1736.5 9.1 scans 85% 136 m/z (194) 0.045% 1.64% 5181 0.7 797 1227755 99625373 96420410 1-1 20: 136 91 41 79 69 105 93 135 107 77 67 95 81 55 117 119 121 53 123 92 0.995 34.50 451.9 74 94 95 99 218 10.8 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5660 1737.9 9.5 scans 63% 123 m/z 0.29% 0.370% 5197 0.9 389 190228 22360635 21280077 1-1 20: 123 69 163 196 125 95 43 82 67 71 83 81 41 55 68 122 138 72 124 57 0.783 34.61 451.6 76 99 92 99 6 0.0 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7296 1740.2 9.5 scans 55% 91 m/z 0.25% 0.114% 5225 0.9 206 219360 6939641 6282300 3-4 20: 91 155 199 90 65 184 92 120 89 44 137 63 106 77 134 39 51 64 156 157 0.906 34.79 451.2 76 97 88 96 199 62.4 9.144 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9019 1742.7 8.6 scans 37% 68 m/z (93) 1.4% 0.0491% 5254 1.6 130 38915 2970856 2708048 3-2 3: 68 224 154 0.765 34.90 -0.0 83 89 82 92 224 18.5 2.022 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1206 ? Spathulenol 35.3648 1749.3 9.2 scans 80% TIC 0.41% 0.451% 5332 1.0 419 135098 27276731 24796790 4-2 0.931 32.67 57.8 71 80 80 83 220 15.5 0.137 2.690 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6399 1753.2 9.4 scans 86% 71 m/z (167) 0.084% 1.20% 5379 0.7 638 657034 72877170 64216863 8-8 20: 71 97 83 69 55 81 191 43 41 67 137 57 82 177 153 72 121 136 96 79 0.995 35.70 450.5 76 98 98 97 224 30.9 0.000 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5602 1766.4 6.8 scans 36% 221 m/z (191) 1.0% 0.0355% 5535 0.9 129 51718 2146208 1910012 9-2 19: 221 73 147 207 295 222 281 296 223 341 369 355 148 265 283 279 298 343 267 0.933 36.58 449.9 74 97 89 97 369 21.4 2.734 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6847 1768.2 8.9 scans 78% 109 m/z 0.19% 0.293% 5556 1.0 351 280805 0.302% 17711170 16673818 18237274 2-5 20: 109 220 43 135 123 124 91 205 81 97 221 149 121 69 107 77 79 95 136 105 0.963 36.70 449.7 80 100 96 99 220 118.4 11.393 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2137 1775.7 8.3 scans 83% 209 m/z 0.061% 0.493% 5645 0.9 457 903221 29777496 28072627 2-2 20: 209 224 181 165 167 210 178 105 179 166 103 225 194 91 77 115 193 152 97 119 0.960 37.20 449.4 80 99 96 100 224 143.3 9.829 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3005 1777.0 7.3 scans 33% 85 m/z (210) 1.6% 0.0254% 5660 1.2 111 33985 1536310 1536310 0-0 20: 85 71 57 43 99 127 169 84 70 211 55 197 155 141 97 126 56 225 140 111 0.964 38.91 -23.0 75 80 87 80 254 2.0 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9687 1786.5 9.8 scans 72% 177 m/z (221) 0.30% 0.535% 5773 0.7 424 185173 32336666 30572533 3-1 17: 177 109 192 84 238 123 87 107 71 121 136 94 83 135 110 149 178 0.976 37.98 447.9 75 96 94 100 238 60.4 2.036 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 8.4 scans 56% 57 m/z (121) 0.84% 0.0528% 5788 1.3 147 65443 3189723 3063741 0-1 20: 57 71 85 225 56 43 99 224 41 55 113 127 155 141 196 169 226 72 197 70 0.956 38.06 448.1 73 97 95 96 225 29.2 3.943 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6098 1795.7 7.6 scans 30% 73 m/z 1.2% 0.0251% 5882 0.9 109 43581 1518259 1440352 1-2 18: 73 429 147 355 221 281 431 262 207 356 229 166 430 247 341 177 222 219 0.620 38.59 447.6 70 94 75 95 429 34.6 10.091 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4457 1866.4 7.9 scans 38% 74 m/z 0.80% 0.0340% 6024 1.2 123 69285 2054770 1940910 2-2 16: 74 87 143 213 75 256 59 129 88 225 228 199 157 101 102 185 0.768 39.45 504.9 67 91 71 89 256 21.3 3.018 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.7698 1906.6 7.7 scans 91% 68 m/z 0.12% 0.731% 6078 0.9 581 454536 44192467 42201466 2-2 20: 68 95 82 123 69 57 55 43 81 67 83 41 97 71 96 109 124 111 79 56 0.994 39.94 537.5 80 99 99 99 278 32.2 0.307 -0.166 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8950 1922.1 8.1 scans 75% 43 m/z (191) 0.34% 0.215% 6100 1.0 293 160606 12996862 11793769 1-3 20: 43 58 71 59 85 57 55 109 69 110 41 95 124 83 56 70 250 123 113 82 0.980 39.88 553.8 76 99 98 99 250 31.8 1.175 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.1996 1959.9 8.5 scans 78% 159 m/z (43) 0.28% 0.314% 6151 1.1 344 197254 18992382 17445083 8-2 14: 159 119 105 161 91 120 93 132 81 145 160 146 131 133 0.969 40.24 586.0 77 99 97 99 272 36.4 1.125 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.1996 1959.9 9.1 scans 49% TIC 0.40% 0.153% 6151 1.2 272 138602 0.175% 9289029 8446504 10567957 0-2 0.647 39.14 603.2 75 96 66 95 272 35.7 1.722 1.059 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3106 1973.6 7.9 scans 36% 149 m/z (190) 0.34% 0.0364% 6170 1.0 125 162567 2198594 2043058 1-2 7: 149 150 104 76 167 151 50 0.961 40.31 598.7 73 97 92 97 223 27.7 4.897 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1110 ? Phytol 40.3896 1983.4 8.4 scans 42% 81 m/z (239) 1.4% 0.0624% 6184 1.1 149 37793 3771949 3123827 4-2 13: 81 82 95 123 79 96 278 109 67 272 71 110 53 0.926 40.66 -33.8 75 80 83 92 278 18.9 1.611 -0.272 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6022 2009.8 >8 scans 52% TIC 0.89% 0.0195% 6219 1.3 143 61941 0.0475% 1179940 1179940 2868445 0-0 0.950 40.63 629.7 74 93 93 98 369 23.8 2.788 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1008 ? UNK diterpene 41.87min 40.6529 2016.1 8.2 scans 51% 119 m/z (221) 1.7% 0.0556% 6228 1.0 150 31202 3362515 3032605 3-2 20: 119 105 272 189 161 159 133 91 145 190 41 187 131 81 107 69 120 117 173 79 0.921 41.87 616.7 70 94 88 94 272 31.0 4.290 -1.217 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1254 ? Phytol 40.8596 2041.7 >14 scans 21% 95 m/z (189 159) 2.7% 0.0350% 6264 1.7 100 19879 2114467 2050091 1-0 19: 95 82 123 81 79 71 68 124 279 99 96 85 113 183 179 211 72 127 152 0.791 40.87 -1.0 78 91 66 88 278 13.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1148 ? UNK 40.98min 40.9682 2055.2 9.5 scans 40% 245 m/z 0.11% 0.170% 6282 1.0 252 504796 10292347 9398989 6-1 12: 245 122 246 135 123 175 136 115 149 163 247 128 0.721 40.98 669.7 76 96 63 95 260 41.8 2.743 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1144 Sclareoloxide 41.1193 2073.9 9.1 scans 89% 109 m/z 0.089% 1.42% 6307 0.7 749 621692 86354961 79519594 2-2 20: 109 81 191 95 262 123 43 121 177 107 69 229 55 93 41 79 67 135 91 137 0.988 41.13 686.1 80 100 99 100 262 150.0 4.007 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2657 2092.1 8.6 scans 53% 79 m/z 0.063% 0.915% 6332 0.9 607 873519 55297780 52666402 1-5 20: 79 93 67 80 95 91 108 55 81 41 77 53 65 39 54 163 74 147 82 106 0.660 41.26 1.1 93 96 70 95 264 50.7 0.698 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4552 2115.6 8.2 scans 56% 205 m/z (93) 0.51% 0.180% 6364 0.7 269 107915 10909484 10321388 3-1 17: 205 217 57 175 177 189 261 220 191 232 115 192 206 176 219 218 221 0.926 41.49 -81.0 77 96 85 95 276 19.9 0.550 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1006 UNK diterpene 41.76min 41.5792 2124.4 8.3 scans 90% 187 m/z 0.051% 1.35% 6385 0.8 745 1075148 81977116 74141750 2-10 20: 187 159 272 105 91 119 41 79 69 161 160 93 81 145 55 77 273 67 131 107 0.986 41.76 726.7 80 99 98 100 272 202.3 7.377 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.7439 2133.6 7.6 scans 39% 191 m/z 1.1% 0.0497% 6413 1.0 178 47418 0.0577% 3005566 2974338 3484406 1-4 18: 191 189 272 105 190 119 147 133 91 161 202 95 41 121 109 159 134 80 0.685 42.05 -17.0 78 80 62 79 272 45.1 6.399 -0.301 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0532 2151.0 10.3 scans 87% 74 m/z 0.014% 3.42% 6465 0.4 1093 3901937 207056226 201697188 2-1 20: 74 87 143 43 55 75 270 41 57 239 129 83 59 185 97 171 199 101 88 241 0.930 42.01 749.0 78 98 93 98 272 28.2 0.000 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3490 2167.6 7.5 scans 13% 73 m/z 1.8% 0.0135% 6516 1.0 78 30288 817694 763384 2-6 18: 73 221 281 355 429 341 207 356 505 283 503 223 222 431 343 282 461 327 0.681 42.37 758.6 69 94 57 92 503 16.9 4.727 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1090 ? UNK 42.45min 42.4103 2171.1 8.8 scans 51% 159 m/z (258) 0.33% 0.104% 6526 0.9 202 165558 6328908 5861124 1-1 14: 159 105 160 187 272 95 91 145 81 79 146 132 201 131 0.944 42.45 760.5 70 91 88 98 272 22.4 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6642 2185.3 9.1 scans 86% 147 m/z (185) 0.089% 1.98% 6569 0.7 845 622726 119897079 109365821 2-4 20: 147 69 105 91 41 107 81 79 95 119 133 229 109 55 82 67 135 187 159 134 0.940 42.40 14.9 90 92 89 92 272 91.1 1.164 0.265 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1248 ? Diterpene 42.9min RI2199 42.8856 2197.7 8.8 scans 15% 148 m/z (159 122) 0.70% 0.0493% 6606 1.2 124 78788 2981249 2549570 4-2 1: 148 0.728 42.90 -1.0 73 83 56 79 272 12.4 1.007 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9623 2202.0 14.1 scans 38% 135 m/z (190) 1.2% 0.173% 6620 1.5 219 45645 10498308 10498308 0-0 19: 135 272 147 133 273 69 57 230 71 41 82 203 257 113 258 215 201 229 56 0.860 42.99 -1.6 84 89 72 88 272 32.7 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1112 Phyllocladene 43.1784 2214.2 9.2 scans 62% 187 m/z (246) 0.16% 0.410% 6656 0.7 382 338689 0.503% 24808731 24274085 30375328 0-1 20: 187 134 161 272 105 119 91 162 188 159 189 163 160 273 145 117 131 92 120 129 0.945 43.24 -3.2 97 99 93 99 272 89.3 5.476 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.2781 2219.8 9.0 scans 17% 159 m/z 0.45% 0.0250% 6673 1.1 118 122908 0.0393% 1514507 1387628 2373261 1-0 20: 159 186 270 157 160 129 144 128 143 199 158 131 142 141 271 171 200 115 130 156 0.670 43.31 792.2 70 94 59 93 270 29.2 6.140 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.6571 2241.0 7.7 scans 59% 133 m/z (202) 1.6% 0.0917% 6737 0.9 201 34356 5541397 5038907 2-0 20: 133 41 91 69 93 105 107 134 131 119 95 79 81 121 55 67 147 77 230 145 0.970 43.55 5.8 76 79 85 79 272 9.4 0.220 0.105 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1238 Trachylobane 43.8230 2250.4 8.6 scans 86% 135 m/z 0.22% 0.638% 6765 0.8 499 242638 0.709% 38547957 34910234 42815323 4-2 20: 135 105 107 93 69 91 161 119 41 81 121 272 79 147 187 95 133 55 77 203 0.961 44.15 -18.9 82 81 82 81 272 77.9 2.437 -0.331 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.7 9.6 scans 3.1% 71 m/z (135) 3.3% 0.0146% 6769 1.2 68 16720 884289 790102 0-3 11: 71 57 127 126 113 86 239 84 112 183 140 0.647 43.94 -5.0 61 88 59 82 282 5.1 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0302 2262.1 >16 scans 23% 109 m/z (245 191) 0.93% 0.0653% 6800 0.9 128 59248 0.105% 3943697 3676509 6340774 3-0 15: 109 192 158 141 273 157 80 156 110 93 257 243 272 106 229 0.786 44.05 -1.4 74 84 59 82 272 17.1 1.794 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2870 2276.9 7.3 scans 17% 221 m/z 1.4% 0.0217% 6843 1.0 103 38736 1311668 1227047 1-2 12: 221 147 73 295 207 222 161 281 369 296 220 162 0.280 44.32 829.6 68 94 85 98 369 20.4 3.942 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1236 ?? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.7557 2303.9 10.1 scans 4.8% 122 m/z (129) 7.7% 0.00222% 6923 0.8 26 7133 134072 121984 0-2 5: 122 191 192 136 94 0.268 44.55 11.7 63 85 22 80 272 2.9 0.000 0.203 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0420 2320.3 8.7 scans 63% TIC 1.5% 0.0435% 6972 0.9 153 35647 2627948 2553486 0-1 0.869 45.56 -30.1 75 80 80 79 290 5.4 0.123 -0.521 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1234 ? Thunbergol 45.1583 2327.0 9.8 scans 32% TIC 3.3% 0.0206% 6991 1.4 100 16680 1246697 1155600 1-3 0.534 44.90 14.8 76 81 52 77 272 9.3 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1156 ? Sclareolide 45.5497 2349.6 9.8 scans 77% 123 m/z 0.29% 0.539% 7058 0.8 436 188362 32551445 30029532 4-3 20: 123 109 43 125 81 82 69 124 67 107 121 55 137 41 135 79 136 68 93 91 0.854 45.58 877.6 70 92 87 97 290 4.4 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1466 2383.9 9.6 scans 86% 79 m/z (272) 0.036% 2.59% 7159 0.5 948 1530350 156530334 145593631 2-3 20: 79 67 95 93 108 80 81 55 91 41 107 94 77 121 135 109 78 149 59 122 0.964 46.13 0.7 94 95 96 99 292 73.0 0.593 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N406_R~1-N1018 ?? Geranyl-linalool/geraniol 46.2959 2392.5 >9 scans 39% 190 m/z (288) 1.1% 0.0842% 7184 0.9 184 49630 5086125 5086125 0-0 19: 190 203 69 147 161 245 175 272 41 204 55 230 98 202 105 79 133 148 218 0.955 46.29 906.6 63 86 82 87 272 16.7 0.830 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1150 ? UNK 46.46min 46.4128 2399.2 9.3 scans 55% 191 m/z (177) 0.043% 0.918% 7204 0.8 565 1264644 55470528 50683570 8-3 8: 191 137 192 217 235 193 138 218 0.910 46.47 909.9 70 89 91 98 235 92.9 2.703 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4394 2400.8 9.1 scans 37% 177 m/z (191) 0.10% 0.484% 7208 0.8 421 543159 29255394 27141574 3-2 15: 177 195 290 178 113 148 99 196 58 176 257 221 275 272 247 0.869 46.49 -3.2 92 96 82 93 290 68.6 2.656 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7646 2419.5 7.6 scans 60% TIC 0.20% 0.118% 7263 1.3 282 271956 0.147% 7163528 6615238 8877084 1-0 0.953 46.76 924.4 76 96 92 96 298 55.8 3.930 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8496 2424.4 8.5 scans 18% 191 m/z (177) 1.2% 0.0303% 7278 0.7 110 44461 1832341 1732155 5-4 1: 191 0.866 46.86 -0.5 89 95 70 93 290 15.8 2.080 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1152 ? UNK 47.18min 47.1265 2440.3 9.9 scans 41% 109 m/z (203) 0.36% 0.178% 7325 0.8 235 150387 10803960 9404465 7-2 13: 109 43 81 123 235 111 127 278 217 151 110 80 108 0.805 47.18 935.9 74 98 84 97 278 25.0 1.130 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2871 2449.6 9.7 scans 75% 134 m/z 0.22% 0.305% 7352 0.7 356 242660 0.350% 18422127 18233576 21135914 1-1 20: 134 119 84 81 191 69 95 79 135 109 43 55 93 41 105 178 123 121 107 148 0.934 47.36 -3.9 100 100 94 99 272 36.3 1.037 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1226 Sclareol 47.42min 47.3656 2454.1 9.0 scans 50% 177 m/z (262) 1.0% 0.0573% 7365 1.5 143 52804 3462297 2992859 1-3 9: 177 195 71 290 121 291 109 178 113 0.892 47.42 -3.0 92 97 89 96 290 21.3 2.212 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9264 2486.4 9.3 scans 74% TIC 0.48% 0.202% 7460 1.3 290 113805 0.289% 12237905 11837327 17452226 1-0 0.862 47.95 -1.2 86 89 88 88 272 25.2 0.752 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN N407_R~1-N1154 UNK 48.48min 48.4618 2517.2 8.8 scans 92% 148 m/z 0.034% 0.974% 7551 0.7 622 1617332 58849553 54615043 3-2 20: 148 95 149 133 147 69 109 43 108 161 41 286 162 96 55 67 178 121 71 107 0.989 48.48 979.0 80 100 99 100 286 78.9 1.611 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9282 2544.0 7.8 scans 44% 73 m/z (117) 3.7% 0.0111% 7630 1.1 67 14892 675349 610851 4-4 18: 73 355 147 221 356 281 357 207 401 223 429 327 74 430 282 432 415 283 0.760 48.95 993.6 69 98 81 97 429 20.3 9.135 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8397 2711.5 8.4 scans 39% 73 m/z 3.4% 0.00884% 8123 1.3 60 15929 534375 481653 4-2 18: 73 221 355 281 356 429 431 357 295 223 430 267 342 149 505 504 341 145 0.640 51.86 1080.6 71 95 63 92 503 10.3 2.944 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1030 Pentacosane 54.6615 2873.9 8.7 scans 56% 71 m/z (147) 2.3% 0.0218% 8601 1.4 89 23350 1316550 1209549 3-4 16: 71 85 43 113 55 97 69 83 70 42 84 56 169 72 239 82 0.835 54.79 -7.4 83 90 77 86 352 6.7 0.576 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP5.FIN HCMIX_~1-N1034 ? Heptacosane 59.7915 3169.0 12.9 scans 51% 57 m/z 3.5% 0.0151% 9470 1.1 63 15824 915827 818910 3-4 20: 57 71 43 113 99 141 169 154 56 85 83 112 97 55 211 155 58 183 72 125 0.702 59.97 -10.1 78 84 64 78 380 4.9 0.000 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0831 770.6 5.8 scans 73% 77 m/z 0.10% 0.130% 33 2.8 234 534335 6149616 5172779 1-5 13: 77 45 78 79 76 62 59 75 63 47 46 92 64 0.988 4.37 16.6 100 100 98 100 77 201.3 73.780 -0.288 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1014 ?? Contamination 6.52min 7.2450 852.9 >4 scans 15% 97 m/z 5.3% 0.00172% 569 7.0 36 10803 81357 76785 0-3 4: 97 207 209 133 0.776 6.53 -123.9 69 94 68 94 207 28.6 63.224 0.717 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6824 864.3 9.3 scans 82% 69 m/z 1.7% 0.0546% 643 1.6 145 33479 0.0786% 2578883 2522336 3709728 1-0 20: 69 55 83 41 39 42 57 98 70 97 80 43 53 56 54 51 79 81 38 40 0.950 7.71 9.0 99 99 95 99 98 33.1 5.248 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.9576 1001.7 10.5 scans 24% TIC 0.78% 0.0255% 1537 2.4 88 73798 1208232 1123938 2-1 0.331 12.22 55.4 84 100 56 98 281 74.8 72.513 0.738 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.3572 1012.5 9.7 scans 64% 81 m/z (57) 0.90% 0.0473% 1604 2.0 116 64620 2236865 2047337 6-1 9: 81 110 53 79 82 65 77 50 109 0.950 13.22 48.9 89 99 96 99 110 34.7 8.950 0.135 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1022 ?? Octanal 13.5851 1018.7 7.7 scans 39% 57 m/z (92) 7.1% 0.0188% 1643 1.3 88 8186 0.0272% 890606 833645 1283773 1-0 13: 57 84 56 41 44 43 69 68 42 85 100 95 66 0.609 12.96 -156.1 65 87 89 98 110 13.7 2.414 0.630 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.4641 1042.5 8.4 scans 68% 68 m/z (97) 1.7% 0.0675% 1792 1.2 157 33813 3185949 2866057 2-3 20: 68 93 67 124 123 79 94 92 121 136 107 43 91 81 77 95 51 41 80 69 0.808 13.89 67.2 67 74 80 97 136 25.4 2.621 0.572 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6388 1047.2 10.4 scans 93% 79 m/z 0.084% 0.832% 1821 1.2 497 691359 39283594 35677967 2-4 20: 79 108 107 77 51 91 78 50 80 90 89 109 65 63 39 52 53 74 105 62 0.998 14.11 68.2 89 100 100 100 108 218.9 19.425 0.530 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9606 1055.9 9.3 scans 71% 91 m/z 0.18% 0.132% 1876 1.4 213 310071 6241335 5674226 3-4 18: 91 92 120 65 63 89 39 51 50 66 62 121 64 90 75 74 76 86 0.944 14.44 71.1 87 99 93 99 120 71.7 11.299 0.519 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6294 1074.1 11.2 scans 63% 105 m/z 0.14% 0.322% 1989 1.9 285 388672 15241493 14315511 2-1 20: 105 77 123 51 46 50 106 78 74 76 38 52 53 110 95 79 67 40 64 80 0.670 15.17 76.7 85 99 96 99 123 101.0 12.548 0.459 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN 98-86-2 ? Acetophenone 15.6985 1075.9 >9 scans 47% 105 m/z (49) 0.52% 0.0594% 2001 999.0 146 111774 0.253% 2807141 2659351 11940981 0-2 10: 105 121 107 51 78 106 43 125 50 62 0.927 15.29 -169.8 74 97 93 97 120 40.1 7.489 0.405 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.5781 1099.8 9.7 scans 22% 117 m/z (93) 13% 0.00388% 2149 1.8 36 4442 183483 159382 2-1 5: 117 132 81 118 131 0.670 16.25 -174.8 66 96 70 96 132 17.6 24.487 0.324 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.6908 1104.4 9.5 scans 60% 95 m/z (85) 1.0% 0.0423% 2169 1.9 113 55070 2000720 1839205 2-2 8: 95 81 124 79 53 109 66 63 0.912 15.43 102.7 74 97 92 99 124 31.0 7.499 1.258 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1002 ?? Undecane 16.9376 1114.8 8.4 scans 64% 71 m/z (283) 2.1% 0.0359% 2210 1.2 117 26709 1694559 1554066 2-1 20: 71 57 43 93 41 55 69 85 121 56 80 70 99 113 84 98 67 39 68 94 0.959 16.59 14.8 65 62 74 84 156 10.8 0.845 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1005 1121.7 8.3 scans 75% 57 m/z (71) 0.49% 0.189% 2238 1.1 261 117363 8933543 7860434 4-4 15: 57 41 56 98 55 70 44 69 68 96 95 42 54 114 45 0.982 16.82 -169.7 75 97 95 96 124 14.8 0.000 0.286 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.1005 1121.7 8.3 scans 69% 57 m/z 0.49% 0.158% 2238 1.1 250 117722 7495582 6595202 4-4 15: 57 41 56 98 55 70 44 69 68 96 95 42 54 114 45 0.920 16.82 99.3 74 95 86 94 124 15.1 0.000 0.286 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2876 1129.6 >9 scans 51% TIC 0.92% 0.0224% 2270 1.0 134 62660 1058979 1058979 0-0 0.859 16.97 104.9 74 96 80 96 128 36.1 7.237 0.320 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3697 1133.1 9.9 scans 76% 91 m/z 0.19% 0.182% 2284 1.5 244 301223 8633615 7930942 5-3 19: 91 92 122 65 93 77 78 63 51 39 89 103 104 123 121 50 90 62 64 0.960 17.05 107.1 78 98 95 98 122 77.2 10.060 0.318 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1024 ? p-Cymene 17.9736 1158.6 8.4 scans 53% 119 m/z (130) 3.5% 0.0170% 2386 1.3 81 16373 803064 740487 1-3 15: 119 91 134 77 79 105 92 93 120 103 135 78 106 107 104 0.898 13.76 -40.9 77 84 72 90 134 27.2 11.367 4.217 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2912 1172.0 9.3 scans 56% 73 m/z 0.75% 0.0594% 2440 1.8 145 76787 2806613 2600300 2-1 19: 73 355 267 356 268 251 357 269 74 193 170 75 179 249 191 237 358 177 106 0.840 18.13 -159.7 78 99 85 98 355 60.5 17.448 0.160 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.5008 1180.8 14.9 scans 84% 144 m/z (60) 0.12% 0.808% 2475 0.2 432 469374 38155007 35290698 1-2 20: 144 43 101 44 72 73 55 45 115 145 42 58 53 39 74 102 71 56 116 38 0.989 18.22 137.3 78 99 99 99 144 186.6 18.627 0.280 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN M4942-N1002 Pyranone 18.5008 1180.8 14.9 scans 83% 144 m/z 0.12% 0.729% 2475 0.2 429 468225 34413232 31829820 1-2 20: 144 43 101 44 72 73 55 45 115 145 42 58 53 39 74 102 71 56 116 38 0.971 20.04 -209.7 80 99 96 99 144 186.2 18.810 -1.541 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1004 ? Octanoic acid 18.6047 1185.2 >14 scans 64% TIC 2.2% 0.0564% 2493 0.7 132 25884 2666360 2551990 0-3 0.837 19.87 116.9 71 93 82 96 144 4.1 0.000 -1.266 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1266 ? Octanoic acid 18.6194 1185.9 >14 scans 58% 60 m/z 2.1% 0.0503% 2496 0.3 124 26756 2376841 2168114 1-2 19: 60 69 85 97 41 101 73 115 87 88 43 39 108 56 98 42 86 45 61 0.818 22.03 -123.2 71 95 87 95 175 0.0 0.000 -3.415 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.9406 1199.4 9.0 scans 24% 111 m/z (82) 7.2% 0.0109% 2551 1.0 63 7998 516282 475947 1-0 7: 111 69 55 110 80 95 125 0.843 18.71 148.6 62 92 72 90 153 1.8 0.000 0.235 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0427 1203.7 9.4 scans 46% 41 m/z 4.3% 0.0189% 2567 1.3 90 13538 895285 813751 1-2 18: 41 83 55 57 43 69 39 84 96 67 68 93 109 42 98 71 99 58 0.764 18.83 151.0 74 99 79 98 122 7.2 0.000 0.213 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3249 1215.7 >9 scans 45% TIC 2.6% 0.00940% 2615 1.0 85 21892 443997 443997 0-0 0.927 19.12 158.6 68 84 82 98 97 12.4 2.141 0.204 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.4424 1220.6 >16 scans 44% 106 m/z (70) 1.3% 0.0458% 2635 0.3 101 42336 2163300 1908352 1-1 6: 106 123 124 49 75 52 0.897 20.03 149.9 72 96 90 96 122 49.5 24.054 -0.587 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4849 1262.6 11.5 scans 20% 57 m/z (91) 8.6% 0.00643% 2811 0.8 44 6738 303579 289472 0-2 4: 57 85 98 83 0.731 20.32 4.9 80 87 76 91 170 3.9 0.000 0.165 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6744 1268.3 8.2 scans 69% 57 m/z 0.90% 0.111% 2844 0.9 211 64647 5246436 4845118 3-2 19: 57 41 55 70 82 71 68 56 112 44 83 81 67 69 84 96 42 39 45 0.876 20.56 189.6 77 100 90 99 128 20.0 0.901 0.111 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1034 ? Decanal 20.6744 1268.3 8.2 scans 78% 57 m/z (110) 0.89% 0.133% 2844 0.9 224 65239 6315599 5832498 3-2 19: 57 41 55 70 82 71 68 56 112 44 83 81 67 69 84 96 42 39 45 0.963 20.57 -138.7 76 97 98 99 138 12.3 0.303 0.105 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1437 1282.4 8.8 scans 72% 137 m/z (88) 0.77% 0.117% 2923 1.0 207 74767 5546709 5108044 3-1 20: 137 152 109 123 81 67 91 79 93 95 41 39 119 53 55 107 153 65 110 124 0.867 21.00 197.1 68 91 74 90 155 0.0 0.000 0.143 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3190 1287.7 9.5 scans 10% 281 m/z 3.1% 0.00783% 2953 1.6 49 18593 369911 303680 2-5 8: 281 282 283 249 267 193 265 191 0.620 12.25 134.6 74 96 62 95 281 37.5 59.047 9.068 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.4188 1350.7 >21 scans 88% TIC 0.19% 0.737% 3309 0.1 383 297722 34817273 32460399 1-4 0.983 25.35 201.5 77 95 94 99 162 0.0 0.000 -1.935 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.4194 1350.7 >21 scans 88% 73 m/z 0.19% 0.746% 3309 0.1 382 296443 35227348 32837679 1-4 20: 73 60 57 41 55 115 129 43 69 98 87 45 61 83 56 74 39 101 42 70 0.985 22.70 -124.6 76 94 93 99 158 26.2 0.470 0.723 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1006 Tridecane 23.9041 1365.4 8.8 scans 35% 57 m/z (72) 3.2% 0.0172% 3391 1.2 76 17719 815104 739309 1-1 10: 57 85 71 149 84 56 70 121 184 154 0.848 23.86 1.4 82 90 87 89 184 9.5 1.557 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1443 1373.4 8.0 scans 59% TIC 0.34% 0.117% 3432 1.2 219 169807 5527874 5005461 3-3 0.903 24.17 -150.4 79 98 88 98 429 60.6 7.669 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 24.5959 1388.5 8.1 scans 46% 71 m/z 1.7% 0.0241% 3508 1.0 105 33343 1137644 1027153 2-2 18: 71 57 85 43 41 70 127 84 113 56 155 58 72 145 169 126 112 42 0.802 24.54 251.2 67 95 80 92 169 11.8 0.000 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7524 1393.7 9.1 scans 68% 43 m/z (123) 1.3% 0.0556% 3534 1.0 139 43388 2626390 2350271 2-5 19: 43 69 83 55 142 85 82 56 58 113 39 70 42 71 67 127 112 128 68 0.963 24.70 254.1 66 84 86 97 170 4.7 0.000 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9141 1399.1 12.2 scans 36% 71 m/z (129) 4.9% 0.0145% 3562 2.4 65 11759 685295 624380 1-2 9: 71 85 70 84 112 127 86 155 72 0.827 20.36 -1.1 68 76 83 79 170 2.8 0.000 4.556 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5086 1419.0 13.1 scans 93% 84 m/z 0.022% 2.38% 3663 0.7 784 2611999 112801606 99965399 2-8 20: 84 133 162 161 42 119 92 85 82 130 134 65 117 78 51 39 91 63 120 77 0.992 25.89 262.0 77 96 94 97 162 202.8 6.687 -0.383 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0505 1470.5 8.3 scans 83% 136 m/z 0.38% 0.313% 3924 0.9 369 153247 14797874 13577833 2-2 20: 136 121 43 69 93 161 109 95 41 81 176 79 107 67 123 91 77 55 179 105 0.960 27.02 297.1 80 99 96 99 208 8.6 0.000 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1143 1472.6 6.7 scans 34% 221 m/z 2.6% 0.0144% 3935 1.0 84 22370 681979 612836 8-2 18: 221 73 147 281 222 355 223 148 282 356 268 267 283 357 443 249 191 205 0.871 27.12 297.7 74 95 80 94 355 15.6 3.438 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1952 1475.3 7.8 scans 64% 57 m/z (180) 1.4% 0.0371% 3948 1.5 123 40591 0.0520% 1751868 1630059 2454273 2-0 18: 57 71 85 43 41 70 99 55 56 141 98 112 113 84 140 72 86 126 0.939 27.21 -0.5 93 98 95 97 198 14.9 1.477 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1114 ?? Caryophyllene 27.8764 1500.9 8.9 scans 60% 93 m/z 0.79% 0.158% 4064 1.0 249 73347 7497182 6977000 3-2 20: 93 133 91 79 69 41 105 107 121 120 77 119 81 55 161 67 106 147 148 92 0.799 27.84 315.5 65 87 67 87 204 20.1 0.651 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1032 Myosmine 28.0222 1506.4 9.4 scans 85% 118 m/z 0.16% 0.306% 4088 1.4 327 356031 14465860 13454674 1-6 20: 118 146 145 105 78 51 119 104 65 41 147 42 117 63 91 39 64 77 50 76 0.964 27.93 319.7 80 99 96 99 146 142.5 18.942 0.091 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1116 ?? Tetrahydroionone 28.2448 1514.7 9.0 scans 35% 95 m/z 1.0% 0.0799% 4126 1.1 178 54878 3773395 3411802 2-7 20: 95 124 43 123 151 81 41 69 109 55 82 67 79 94 96 107 149 119 179 77 0.482 28.22 323.8 63 98 55 94 194 27.5 2.376 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6781 1531.0 7.9 scans 73% 43 m/z (166) 0.29% 0.169% 4200 1.0 261 196148 0.180% 7997572 7200246 8495560 0-10 19: 43 69 41 136 107 151 67 125 93 83 53 109 39 68 121 81 65 108 79 0.955 28.67 333.6 77 99 96 99 194 16.6 0.407 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1084 1547.2 7.7 scans 62% 71 m/z (123) 0.41% 0.153% 4273 1.2 250 141372 0.220% 7226733 6547272 10383462 2-0 20: 71 57 43 85 41 177 70 141 55 56 113 99 112 220 84 97 207 42 72 69 0.862 29.10 343.3 69 95 91 94 227 4.8 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5299 1563.1 8.4 scans 71% TIC 0.31% 0.157% 4344 1.2 252 185636 7448571 6305565 3-2 0.935 29.61 -150.0 79 99 91 99 503 36.7 2.121 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1022 ?? Nicotyrine 29.6557 1567.8 >12 scans 9.2% 73 m/z (177) 0.42% 0.0645% 4365 0.8 157 136204 3044882 2950651 0-1 4: 73 100 208 59 0.654 29.68 355.2 65 95 63 93 158 101.6 41.905 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6810 1568.7 8.3 scans 75% 177 m/z 0.043% 0.818% 4369 0.7 588 1328840 38653049 35575048 4-1 20: 177 43 178 135 91 93 77 105 121 107 79 149 159 133 122 95 119 41 192 109 0.837 29.68 356.2 66 89 60 87 192 70.2 1.425 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7761 1572.3 7.8 scans 64% 123 m/z (106) 0.11% 0.179% 4385 1.0 277 494895 8484952 7969003 1-9 8: 123 135 124 95 109 125 193 165 0.988 29.77 358.3 75 97 95 97 193 23.1 0.697 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8558 1575.3 8.3 scans 48% 105 m/z 0.65% 0.0684% 4399 1.1 177 89076 3230336 3105134 0-1 20: 105 161 91 93 121 107 133 204 106 189 94 119 79 80 77 147 108 81 162 124 0.902 29.85 360.2 77 97 83 96 204 30.3 2.927 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9532 1579.0 9.3 scans 69% 71 m/z 0.30% 0.214% 4416 0.7 275 190101 10125262 9099534 1-3 20: 71 85 57 43 99 113 69 41 55 155 127 70 84 56 169 83 72 58 86 112 0.911 29.94 362.6 76 99 94 97 254 7.5 0.074 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1010 ? Pentadecane 30.1816 1587.6 8.3 scans 53% 57 m/z (163) 0.92% 0.0716% 4454 1.1 165 62904 0.111% 3379415 2985771 5238929 1-1 20: 57 71 85 43 99 84 113 70 41 56 55 155 127 98 183 141 86 112 83 42 0.951 30.38 -7.3 78 80 90 82 212 0.0 0.000 -0.195 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5388 1601.7 8.1 scans 38% 191 m/z 0.26% 0.0689% 4515 1.1 172 220851 3253314 3005553 2-2 11: 191 206 192 163 175 115 88 147 74 128 161 0.727 30.50 376.9 78 98 74 98 206 51.6 9.008 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.9131 1617.4 9.0 scans 52% 162 m/z (133) 1.9% 0.0616% 4578 1.0 150 30233 2908583 2686035 2-1 20: 162 147 111 69 91 161 99 141 100 182 43 55 95 101 105 163 65 110 183 148 0.903 30.88 1.4 65 62 43 89 204 8.6 0.000 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2283 1630.7 11.2 scans 81% TIC 0.14% 0.447% 4632 0.7 389 396265 21120578 19109965 3-1 0.955 31.18 395.7 77 97 93 98 180 85.0 4.762 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3416 1635.4 9.3 scans 85% TIC 0.18% 0.998% 4651 0.8 614 307133 47149697 44931633 1-2 0.910 31.35 397.9 80 100 96 100 194 127.8 4.341 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1128 Caryophyllene oxide 31.9007 1658.9 9.1 scans 86% TIC 0.29% 0.564% 4745 0.9 472 199443 26663788 24955711 2-2 0.971 31.90 413.1 80 100 97 99 220 35.0 0.551 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1102 ? UNK 31.99min 32.0365 1664.6 8.6 scans 57% 127 m/z (221) 0.056% 0.634% 4768 0.8 484 1033188 29959662 27093632 2-4 18: 127 85 75 129 74 128 59 98 126 84 45 101 100 143 87 169 216 153 0.994 31.99 417.4 73 94 89 95 129 117.4 5.885 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0743 1666.2 7.0 scans 5.1% 221 m/z 0.52% 0.0584% 4775 1.0 168 111482 2757332 2544415 4-2 12: 221 73 147 295 222 207 341 355 223 325 281 296 0.402 32.08 -0.2 87 95 74 94 355 30.7 3.352 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1917 1671.2 9.2 scans 59% 109 m/z (73) 0.24% 0.452% 4795 1.0 398 240907 21343530 19339931 1-3 20: 109 43 163 191 206 69 107 91 137 93 121 77 41 135 149 147 105 136 53 119 0.726 32.20 420.9 76 99 78 97 206 70.7 3.152 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2401 1673.2 9.0 scans 16% 57 m/z (109 84) 1.5% 0.0366% 4803 0.6 112 38743 1730066 1551608 1-1 12: 57 85 183 99 113 182 155 141 211 226 142 169 0.710 32.24 0.1 71 82 62 82 226 7.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1122 Longipinocarvone 32.5943 1688.1 8.9 scans 90% 134 m/z 0.13% 1.30% 4863 0.7 719 445605 61466007 57530160 2-1 20: 134 69 91 79 41 135 93 133 107 77 105 92 175 119 53 39 108 95 55 81 0.984 32.60 431.9 81 100 98 100 218 32.0 0.198 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1120 Caryophyllene oxide 32.8665 1699.5 8.7 scans 82% 79 m/z 0.26% 0.679% 4909 0.9 521 219502 32092004 28292811 1-9 20: 79 93 91 41 43 69 95 109 77 107 55 67 106 96 81 121 105 82 110 39 0.951 32.87 439.2 80 100 96 99 206 38.0 0.532 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0879 1708.8 8.6 scans 39% 97 m/z (109) 3.5% 0.0437% 4946 0.7 122 16517 2063528 1884432 1-3 17: 97 83 55 69 57 70 56 84 111 82 71 98 68 100 54 42 101 0.914 33.09 0.1 86 92 91 97 224 6.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3151 1718.4 7.5 scans 69% 57 m/z (203) 0.46% 0.113% 4985 0.8 218 124033 0.136% 5340754 5032595 6418867 0-1 19: 57 71 43 85 41 55 99 56 70 113 84 42 112 98 182 127 72 141 58 0.979 33.37 -2.4 96 99 98 99 226 24.4 1.246 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1104 ? UNK 33.53min 33.5613 1723.5 10.2 scans 54% TIC 0.36% 0.167% 5027 0.8 248 161307 0.283% 7890876 7297386 13356908 2-0 0.737 33.53 453.3 71 92 66 91 166 43.4 3.052 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8464 1727.6 8.4 scans 14% 217 m/z 2.2% 0.00770% 5075 0.9 58 25983 363767 339988 2-1 9: 217 232 218 129 157 233 87 189 116 0.582 33.83 452.9 69 95 56 94 232 27.3 22.407 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.9043 1728.4 7.4 scans 40% 71 m/z (262) 2.8% 0.0207% 5084 0.9 95 20113 979748 905272 9-1 14: 71 57 85 70 169 197 56 72 99 140 113 127 42 167 0.917 33.90 0.1 88 93 92 96 197 19.0 3.955 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1132 Longifolenaldehyde 34.1215 1731.5 9.0 scans 87% 109 m/z 0.10% 1.04% 5122 0.7 635 570521 49215445 44962721 7-1 20: 109 95 121 107 91 191 135 105 119 69 93 41 81 220 137 55 77 97 79 123 0.983 34.14 452.3 81 100 98 100 220 92.1 2.102 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.3700 1735.1 7.2 scans 30% 73 m/z 0.27% 0.157% 5164 0.9 273 213705 7456428 6798788 2-2 19: 73 355 147 221 281 356 401 357 282 222 74 415 327 207 402 267 283 223 358 0.940 34.39 452.1 78 99 90 98 415 30.4 1.243 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4739 1736.5 8.5 scans 82% TIC 0.065% 1.26% 5181 0.8 757 886105 59530123 56773968 1-1 0.967 34.50 451.9 72 92 95 94 218 0.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5731 1738.0 9.2 scans 64% 69 m/z 0.34% 0.406% 5198 0.8 405 169211 19181717 18056386 1-1 20: 69 123 163 196 125 95 43 82 67 71 83 81 41 55 68 122 109 138 72 124 0.851 34.61 451.7 78 100 94 100 6 0.0 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7484 1740.5 9.6 scans 62% 91 m/z 0.22% 0.181% 5228 0.7 257 257887 8574707 7769239 3-3 20: 91 155 199 90 65 184 92 89 44 120 63 137 77 39 106 156 51 64 185 62 0.925 34.79 451.5 78 98 92 98 199 73.8 8.222 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9061 1742.7 8.2 scans 32% 68 m/z (91) 2.1% 0.0450% 5255 1.8 122 27310 2128053 1865593 2-2 2: 68 224 0.700 34.90 0.0 82 89 85 90 224 16.8 1.911 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 35.0460 1744.7 >6 scans 15% 71 m/z (205) 4.0% 0.00959% 5278 1.0 76 14479 452710 452710 0-0 20: 71 57 113 183 43 138 70 86 222 84 141 99 125 85 190 193 211 127 58 189 0.850 34.27 11.1 60 66 65 79 211 8.8 1.341 0.779 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1206 ? Spathulenol 35.3760 1749.4 9.6 scans 80% TIC 0.58% 0.439% 5334 0.9 403 99140 20742442 18464489 3-3 0.944 32.67 57.9 70 79 79 83 220 14.3 0.126 2.701 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6558 1753.5 9.5 scans 85% 71 m/z (209) 0.077% 1.66% 5382 0.6 752 748184 78362995 71763812 1-8 20: 71 97 83 69 55 191 43 81 95 41 67 57 82 153 177 72 206 79 107 93 0.990 35.70 450.8 74 97 96 95 224 27.9 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5425 1766.1 6.8 scans 55% 221 m/z 0.44% 0.103% 5532 0.9 227 130746 4902823 4624189 4-2 20: 221 73 147 207 295 222 281 223 369 296 341 148 208 74 297 355 327 283 325 370 0.928 36.58 449.6 78 99 90 98 369 32.9 2.090 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6906 1768.3 8.9 scans 78% 109 m/z 0.20% 0.397% 5557 0.8 398 286265 18765192 17140025 2-7 20: 109 220 43 135 123 124 205 81 91 97 221 77 41 69 149 121 79 107 93 136 0.945 36.70 449.8 80 100 95 99 220 129.1 10.547 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2119 1775.7 8.2 scans 81% 209 m/z 0.090% 0.462% 5645 1.0 442 646504 21809998 20286588 2-2 20: 209 224 181 165 210 167 105 178 166 179 103 225 91 77 194 115 193 152 97 119 0.967 37.20 449.4 80 99 97 99 224 135.0 9.327 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9669 1786.5 9.8 scans 66% 177 m/z (221) 0.54% 0.392% 5773 0.7 359 106315 18531204 17209768 2-2 15: 177 109 192 84 87 238 123 107 136 94 178 135 149 110 205 0.973 37.98 447.9 74 95 94 99 238 49.5 1.902 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0566 1787.8 8.5 scans 52% TIC 0.79% 0.0386% 5788 1.3 167 73306 1825377 1585832 1-2 0.925 38.06 448.1 74 95 89 94 225 33.9 4.115 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5897 1795.4 7.8 scans 59% 73 m/z 0.38% 0.104% 5879 1.1 217 151354 4929019 4732984 1-3 20: 73 147 221 429 355 281 341 430 207 431 356 222 74 357 148 282 325 267 295 223 0.933 38.59 447.3 78 98 90 98 429 57.2 6.940 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8282 1798.8 10.5 scans 33% 57 m/z (161 127) 0.87% 0.0793% 5919 0.9 157 66708 0.105% 3745743 3481650 4955743 1-0 17: 57 71 85 43 99 56 86 113 197 98 84 141 183 72 42 70 112 0.938 38.91 -1.2 80 88 88 88 254 13.4 0.730 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7674 1906.3 7.7 scans 91% 68 m/z 0.14% 0.810% 6078 0.9 612 404280 38245145 36622636 2-1 20: 68 95 82 123 69 57 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.994 39.94 537.2 79 99 99 99 278 31.3 0.262 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8884 1921.3 7.8 scans 60% 58 m/z 0.52% 0.131% 6098 1.1 247 111490 6199451 5585751 1-4 11: 58 43 71 59 85 110 124 56 250 113 111 0.861 39.88 553.0 77 98 85 96 250 27.2 1.209 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.1942 1959.2 8.4 scans 47% 159 m/z 0.83% 0.0925% 6151 1.1 195 70124 4366231 3991040 7-2 11: 159 119 105 161 120 132 160 131 145 146 272 0.789 39.14 602.5 74 95 75 94 272 22.1 1.287 1.053 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.1942 1959.2 8.4 scans 60% 159 m/z (135) 0.83% 0.128% 6151 1.1 220 70077 6062328 5541392 7-2 11: 159 119 105 161 120 132 160 131 145 146 272 0.961 40.24 585.3 76 98 93 98 272 22.2 1.012 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3064 1973.1 8.1 scans 33% 149 m/z (238) 0.53% 0.0339% 6169 1.1 115 109542 1602693 1393774 10-2 10: 149 223 150 104 76 167 205 224 50 182 0.925 40.31 598.2 74 98 91 98 223 25.5 4.905 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1110 Phytol 40.3891 1983.4 8.3 scans 40% TIC 1.0% 0.0501% 6183 1.2 184 56929 0.0741% 2366681 2043948 3497339 0-5 0.711 40.66 -33.8 84 92 67 90 278 24.5 1.779 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5933 2008.7 7.0 scans 59% 221 m/z 0.62% 0.0732% 6218 1.0 188 92759 3456880 3134952 2-6 20: 221 73 147 295 207 281 222 223 369 296 148 282 355 267 371 208 297 74 283 370 0.935 40.63 628.6 76 97 92 98 369 28.8 2.337 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 40.6577 2016.7 7.9 scans 34% 189 m/z (84) 4.2% 0.0271% 6229 0.8 100 13775 1283485 1048502 9-11 10: 189 272 173 159 190 187 188 229 257 201 0.841 41.87 617.3 62 87 74 86 272 19.7 3.853 -1.212 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1148 ? UNK 40.98min 40.9717 2055.6 9.3 scans 47% 245 m/z (138) 0.18% 0.223% 6282 0.9 279 323355 10540327 9587191 8-2 13: 245 122 246 135 91 123 260 131 145 77 115 136 117 0.891 40.98 670.1 77 100 92 100 260 37.4 1.795 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9983 2058.9 8.4 scans 39% 138 m/z (219) 0.46% 0.148% 6286 0.9 246 123914 7030499 6744762 1-0 17: 138 120 109 69 121 124 83 139 65 82 92 262 68 125 64 63 66 0.872 41.00 673.1 76 98 96 99 262 28.3 1.333 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1144 Sclareoloxide 41.1104 2072.8 8.8 scans 89% TIC 0.15% 1.02% 6306 0.8 637 369476 48177500 43884197 2-2 0.981 41.13 685.0 81 100 98 100 262 122.5 3.695 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.2816 2094.0 8.8 scans 88% 191 m/z 0.053% 0.875% 6335 0.8 587 1095246 41304364 37808063 3-2 20: 191 121 80 119 192 43 93 135 91 95 105 107 109 189 79 55 136 41 69 149 0.977 41.29 703.6 79 98 93 100 229 44.9 0.583 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5071 2120.4 11.0 scans 82% TIC 0.097% 1.49% 6373 0.4 705 595894 1.95% 70381221 64724544 92035232 2-0 0.952 41.49 -76.2 84 97 88 97 276 48.8 0.479 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5667 2123.7 8.6 scans 81% TIC 0.13% 0.572% 6383 1.4 518 437070 27033738 24377811 0-4 0.927 41.76 726.0 79 98 91 98 272 137.0 6.992 -0.194 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9989 2148.0 7.7 scans 43% 74 m/z (71) 0.24% 0.188% 6456 0.9 281 240922 8911399 8342322 2-4 15: 74 87 75 143 227 270 59 129 239 88 185 101 199 171 241 0.891 42.01 746.0 71 96 87 97 272 14.6 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3354 2166.8 7.3 scans 46% 73 m/z 0.58% 0.0650% 6513 1.1 174 98717 3069707 2836349 2-5 20: 73 147 281 221 355 429 207 282 341 503 74 222 430 295 328 148 223 431 415 504 0.913 42.37 757.8 76 97 89 98 503 24.6 1.986 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1090 ?? UNK 42.45min 42.3920 2170.0 8.2 scans 20% 159 m/z 0.87% 0.0267% 6523 0.9 110 66373 1264321 1136382 2-2 7: 159 105 132 160 187 158 272 0.501 42.45 759.4 62 91 49 89 272 21.2 0.000 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.5125 2176.8 14.6 scans 76% 136 m/z (125) 2.9% 0.116% 6543 1.3 182 19932 5498265 5498265 0-0 8: 136 217 164 245 202 216 66 174 0.833 42.05 26.2 78 83 70 88 272 16.9 0.864 0.467 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.6400 2183.9 9.0 scans 83% 147 m/z (137) 0.27% 0.809% 6564 1.3 522 209510 38228416 34645152 2-3 17: 147 69 105 91 41 93 107 81 79 161 119 229 133 82 67 77 187 0.989 42.40 13.5 89 90 89 90 272 53.4 1.046 0.241 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8808 2197.5 9.8 scans 46% 148 m/z (73) 0.38% 0.214% 6606 0.9 265 149713 10105493 9178592 4-1 8: 148 133 190 106 120 92 149 94 0.984 42.90 -1.2 94 96 94 96 272 25.7 0.938 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9664 2202.3 23.8 scans 50% 134 m/z (190) 0.67% 0.321% 6620 0.9 296 86535 0.512% 15169558 14666256 24165148 0-1 20: 134 135 272 147 133 257 159 161 125 273 215 43 145 131 229 203 202 162 201 128 0.936 42.99 -1.3 89 94 88 92 272 46.1 2.422 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1112 ? Phyllocladene 43.0898 2209.2 >10 scans 39% 187 m/z (135) 1.1% 0.0801% 6641 1.2 175 50847 0.181% 3783863 3616853 8542757 1-0 15: 187 146 159 131 145 132 160 188 165 125 130 141 244 126 116 0.908 43.24 -8.2 73 77 65 77 272 36.9 4.413 -0.146 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1323 2211.6 9.5 scans 44% 135 m/z (187) 1.3% 0.182% 6648 1.1 248 42952 8616154 7643233 2-2 15: 135 107 83 94 95 121 82 108 137 123 148 136 97 177 84 0.913 43.15 -1.2 89 94 88 93 272 33.9 1.875 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2634 2218.9 9.2 scans 17% 159 m/z (203) 1.0% 0.0331% 6670 1.8 101 54172 1566329 1474685 1-1 10: 159 186 270 160 157 199 144 288 158 271 0.724 43.31 791.3 64 89 71 94 270 21.3 4.492 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2976 2220.9 >19 scans 19% 203 m/z (159) 3.8% 0.0554% 6676 0.6 108 15314 2617628 2277915 2-2 20: 203 235 185 87 279 156 129 51 154 179 247 131 213 116 220 139 99 113 155 152 0.460 43.31 -0.5 63 75 41 74 278 34.1 9.879 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5166 2233.2 >7 scans 68% TIC 0.67% 0.184% 6713 5.8 332 86767 0.397% 8687449 8236117 18737429 0-2 0.961 43.55 -2.0 92 92 87 92 272 40.6 1.494 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1242 ? Kaur-15-ene, (5?,9?,10?)- 43.6447 2240.3 6.8 scans 28% 133 m/z (260) 5.1% 0.0235% 6735 1.1 110 11291 1111388 1081940 1-0 20: 133 55 91 148 107 105 93 69 41 71 190 134 121 229 79 177 131 203 95 119 0.870 43.66 -0.9 74 80 76 84 272 7.2 0.426 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1238 ? Trachylobane 43.8100 2249.6 8.5 scans 74% 105 m/z 0.74% 0.233% 6763 1.0 312 77902 0.249% 11017853 9948610 11752191 5-1 20: 105 135 107 93 69 161 119 91 41 272 81 121 79 136 187 147 95 77 203 133 0.954 44.15 -19.7 79 80 76 79 272 46.5 2.220 -0.344 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0332 2262.3 18.6 scans 51% 109 m/z (245) 0.49% 0.199% 6800 0.8 246 116818 0.306% 9392734 8755378 14442452 3-0 8: 109 191 97 272 53 192 273 257 0.929 44.05 -1.2 91 94 85 94 272 25.5 1.077 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5367 2291.3 9.6 scans 48% 191 m/z (159) 1.9% 0.0577% 6886 0.8 140 29916 2724867 2527056 1-2 7: 191 109 107 121 135 192 272 0.828 44.55 -0.9 88 93 86 95 272 12.0 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.5497 2349.6 9.8 scans 75% 123 m/z (187) 0.32% 0.711% 7058 0.8 485 176684 33574831 31116781 4-3 20: 123 43 125 82 81 69 124 67 55 107 41 137 136 68 135 79 93 91 235 96 0.816 45.56 -0.8 77 83 74 81 290 12.5 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1156 ? Sclareolide 45.5497 2349.6 9.8 scans 60% 123 m/z 0.32% 0.537% 7058 0.8 435 177773 25374700 23516991 4-3 20: 123 43 125 82 81 69 124 67 55 107 41 137 136 68 135 79 93 91 235 96 0.746 45.58 877.6 72 97 81 97 290 4.8 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1230 ?? C18:3-butanoate 46.1135 2382.0 >10 scans 29% 79 m/z (245 191) 1.7% 0.0626% 7153 0.6 147 34188 0.110% 2957356 2957356 5191731 0-0 16: 79 261 80 87 108 94 95 67 93 78 65 39 54 91 112 292 0.858 46.13 -1.2 63 71 67 80 292 9.8 0.442 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4417 2400.9 9.2 scans 28% 177 m/z (191) 0.082% 0.626% 7209 0.9 470 707418 29549704 27461549 4-2 12: 177 195 178 290 99 196 176 58 275 291 257 276 0.753 46.49 -3.1 86 91 62 88 290 81.0 2.969 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8449 2424.1 8.6 scans 29% 191 m/z (255) 0.98% 0.0834% 7276 1.1 178 59170 3940076 3661956 2-3 3: 191 192 206 0.913 46.86 -0.8 91 95 91 98 290 20.8 1.362 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1152 ? UNK 47.18min 47.1330 2440.7 9.5 scans 72% 109 m/z 0.11% 0.616% 7326 0.7 502 485331 29108798 27617836 2-1 19: 109 43 95 81 123 137 93 235 127 69 41 55 111 121 79 217 110 67 124 0.971 47.18 936.3 78 98 96 98 278 47.4 0.892 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2953 2450.0 9.5 scans 82% 134 m/z 0.19% 0.563% 7353 0.5 462 296515 0.598% 26589813 25546723 28224138 2-2 20: 134 119 84 81 191 69 79 95 135 93 109 41 121 178 107 123 91 67 137 83 0.968 47.36 -3.5 100 100 97 99 272 42.9 0.860 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1226 Sclareol 47.42min 47.3774 2454.8 >11 scans 42% 177 m/z (108) 1.5% 0.0644% 7367 1.4 144 38270 3039669 2836538 0-2 18: 177 290 195 150 107 139 69 121 81 215 201 79 137 67 83 94 148 145 0.876 47.42 -2.3 87 91 78 90 290 19.8 1.904 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6725 2471.8 7.8 scans 23% 221 m/z (135) 4.3% 0.0123% 7417 1.2 71 13340 582424 532948 2-4 15: 221 73 147 295 207 222 281 223 341 369 74 282 205 355 297 0.743 44.32 1024.5 70 97 91 98 369 13.9 3.871 3.353 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9264 2486.4 9.5 scans 75% TIC 0.51% 0.296% 7460 1.1 333 113363 0.400% 13995452 12748485 18879022 9-0 0.864 47.95 -1.2 85 88 88 87 272 26.8 0.644 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1150 ?? UNK 46.46min 47.9919 2490.1 >9 scans 73% TIC 0.38% 0.119% 7471 1.6 236 150260 0.375% 5656182 5401536 17699083 0-1 0.949 46.47 1000.8 69 86 84 98 235 36.0 2.321 1.527 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N407_R~1-N1154 UNK 48.48min 48.4559 2516.9 9.1 scans 94% 148 m/z 0.041% 1.16% 7550 0.8 659 1399437 54823444 51607581 3-2 20: 148 95 149 133 147 109 69 108 161 41 96 162 81 55 135 286 67 178 121 71 0.993 48.48 978.7 81 100 99 100 286 77.4 1.380 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9223 2543.7 7.8 scans 70% 73 m/z (121) 1.1% 0.0410% 7628 1.2 130 48705 1938716 1786789 2-4 20: 73 147 355 221 429 281 223 356 207 295 222 357 282 74 431 148 430 267 342 265 0.899 48.95 993.3 73 96 94 99 429 30.4 5.450 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8344 2711.2 8.2 scans 57% 73 m/z 1.9% 0.0213% 8122 1.3 93 30084 1009828 900815 3-6 19: 73 147 221 429 281 222 295 207 341 148 430 355 342 357 149 205 327 297 296 0.750 51.86 1080.3 75 98 73 95 503 12.3 1.750 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 52.3096 2738.5 8.8 scans 27% 204 m/z (55) 17% 0.00383% 8203 1.3 36 3405 181182 167693 8-0 6: 204 161 108 106 122 148 0.581 45.98 1258.8 64 93 45 90 204 16.1 19.687 6.335 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1030 ? Pentacosane 54.6727 2874.5 >15 scans 51% 43 m/z (73) 4.8% 0.0150% 8602 1.9 69 12036 708616 684828 0-5 9: 43 70 98 127 111 112 86 42 183 0.809 54.79 -6.8 77 87 76 82 352 4.8 0.000 -0.117 G:\GCMS data\Nicotiana diversity panel SPME\N407_REP6.FIN HCMIX_~1-N1034 ? Heptacosane 59.7920 3169.0 13.3 scans 57% 57 m/z 5.1% 0.0146% 9470 1.1 61 11258 691571 631054 3-4 13: 57 85 55 99 72 41 56 111 71 86 69 155 42 0.737 59.97 -10.1 70 74 66 70 380 1.9 0.000 -0.175 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1345 771.9 15.4 scans 58% 77 m/z 0.15% 0.0479% 42 3.9 187 377630 0.0506% 6912074 6658618 7288513 2-1 16: 77 45 78 79 62 76 59 63 75 47 46 61 92 64 49 60 0.971 4.37 17.9 100 100 96 99 77 162.9 75.828 -0.237 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5283 834.2 17.3 scans 60% 207 m/z 0.58% 0.0192% 448 2.7 109 100366 2779445 2578616 1-2 19: 207 208 209 191 97 193 177 39 103 119 210 82 134 192 161 115 176 75 88 0.791 6.53 -142.6 80 100 84 99 207 84.0 59.381 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6357 863.0 8.5 scans 92% 55 m/z (59) 0.23% 0.160% 635 2.1 382 248968 23080362 20340011 1-4 20: 55 41 69 83 39 57 42 98 70 43 56 97 80 53 54 79 40 68 38 51 0.994 7.71 7.7 99 100 100 100 98 74.7 3.836 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.4162 987.5 >5 scans 39% 53 m/z (41) 2.6% 0.00302% 1444 999.0 66 22558 435597 385279 0-2 12: 53 283 282 265 251 133 69 284 207 83 191 103 0.743 12.22 41.2 85 93 56 97 281 39.8 35.922 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6606 993.9 11.3 scans 84% TIC 0.18% 0.0815% 1486 2.3 249 312384 11747144 11043105 2-1 0.946 13.22 30.3 95 96 92 99 110 72.1 8.428 -0.561 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1040 ?? Decane 13.6306 1019.9 8.8 scans 40% TIC 4.3% 0.00133% 1651 1.2 57 13591 192183 171690 2-1 0.830 12.90 19.9 63 66 59 67 142 0.0 0.000 0.733 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1016 Limonene 13.8938 1027.0 8.3 scans 65% 68 m/z (59) 1.1% 0.0277% 1695 1.3 169 52990 3991738 3538371 2-4 19: 68 124 67 93 43 94 79 53 81 136 92 91 107 95 39 41 80 121 51 0.796 13.89 51.7 85 97 91 97 136 29.5 3.047 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1028 1032.7 16.6 scans 90% 79 m/z 0.098% 0.339% 1731 1.3 444 603132 48961753 45702902 2-3 20: 79 108 107 77 51 91 78 80 90 89 65 109 74 64 62 76 61 38 75 49 0.994 14.11 53.7 92 100 99 100 108 196.1 19.499 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4434 1041.9 10.3 scans 89% 91 m/z 0.088% 0.120% 1788 1.6 313 669386 17293325 15843899 2-4 19: 91 92 120 65 63 39 89 51 121 50 62 64 38 52 66 74 61 207 122 0.980 14.44 57.1 91 99 98 100 120 100.5 10.333 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1002 ? Undecane 15.0863 1059.3 7.1 scans 36% 71 m/z 3.4% 0.00242% 1897 1.0 67 16933 349075 327025 1-1 15: 71 57 43 85 70 84 127 41 56 72 69 86 113 112 126 0.759 16.59 -40.7 74 85 67 82 156 4.3 0.000 -1.501 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1672 1061.5 11.2 scans 77% 105 m/z 0.18% 0.0733% 1911 1.6 247 313370 0.0898% 10568927 9994737 12934949 2-0 18: 105 77 123 51 46 50 106 78 124 74 76 75 64 52 79 37 49 80 0.959 15.17 64.1 89 99 96 99 123 88.6 12.908 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN 98-86-2 ? Acetophenone 15.2522 1063.8 >13 scans 52% 105 m/z 0.56% 0.0213% 1925 1.6 143 104057 0.0556% 3075133 2863886 8008721 0-2 19: 105 120 77 125 51 78 107 76 50 52 63 121 89 61 74 96 65 59 97 0.916 15.29 -181.9 76 96 91 99 120 46.1 10.399 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4269 1068.6 9.3 scans 71% 95 m/z 0.14% 0.111% 1955 1.7 326 419767 16099742 14353879 2-4 18: 95 81 43 124 79 53 109 39 41 82 96 77 51 66 55 67 63 50 0.902 15.43 66.9 88 99 89 100 124 97.9 9.006 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1016 ?? Nonanal 16.7776 1108.1 9.5 scans 64% 57 m/z (269) 0.68% 0.0577% 2184 1.0 219 86293 8312840 7366368 2-2 18: 57 41 43 56 98 70 55 44 267 82 68 95 42 96 67 99 268 83 0.781 16.82 85.7 66 93 82 95 124 14.7 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9565 1115.6 8.7 scans 67% 71 m/z 0.39% 0.0402% 2214 1.2 217 149204 5792596 5406609 1-6 17: 71 95 43 110 58 128 41 55 85 84 69 57 72 70 68 113 56 0.927 16.97 90.9 81 99 96 99 128 51.7 5.699 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0633 1120.1 11.0 scans 74% 91 m/z 0.14% 0.0753% 2232 1.2 259 397474 10857355 9883171 3-4 19: 91 92 122 65 63 51 89 78 39 103 104 123 50 62 90 64 76 52 66 0.935 17.05 94.1 81 99 93 99 122 87.9 11.505 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0781 1163.0 9.4 scans 66% 73 m/z 0.57% 0.0234% 2404 1.3 154 102112 3375181 3111407 9-2 20: 73 355 267 356 268 357 358 251 193 74 323 253 237 154 340 75 250 191 324 45 0.868 18.13 -168.7 79 99 85 98 355 65.4 17.997 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7003 1189.3 8.0 scans 45% 55 m/z 2.6% 0.00835% 2510 1.1 110 22105 1203149 1166663 1-0 19: 55 98 69 82 111 43 41 107 125 95 70 97 126 83 91 39 71 100 93 0.802 18.71 138.5 75 99 81 97 153 4.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1188 1207.0 8.2 scans 61% TIC 1.0% 0.00714% 2580 1.2 114 58705 1029457 936994 1-1 0.922 19.12 149.9 79 98 98 100 97 16.0 1.986 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2523 1212.6 10.1 scans 13% 119 m/z (71) 4.5% 0.00212% 2601 1.4 44 13029 305746 274981 8-1 3: 119 134 92 0.863 13.76 13.1 73 81 62 80 134 18.6 18.291 5.495 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7942 1235.5 8.3 scans 78% 57 m/z 0.15% 0.0991% 2694 1.2 331 384759 14280320 12607962 3-5 20: 57 45 41 75 87 56 89 72 43 101 59 100 85 71 60 73 44 58 55 62 0.927 19.81 168.0 79 99 98 100 144 7.4 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3314 1258.0 12.0 scans 58% 71 m/z (131) 1.3% 0.0157% 2786 0.7 109 42466 2267320 2016240 5-3 8: 71 85 57 99 98 56 72 83 0.951 20.32 0.3 92 97 91 95 170 10.5 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1024 Hexadecane 20.3314 1258.0 12.0 scans 42% 71 m/z 1.4% 0.0102% 2786 0.7 93 42039 1480476 1316530 5-3 8: 71 85 57 99 98 56 72 83 0.747 33.32 -9.0 80 82 70 80 226 0.0 0.000 -12.988 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1034 ? Decanal 20.5262 1263.9 8.5 scans 61% 57 m/z 1.6% 0.0190% 2819 0.9 145 35223 2749911 2438191 3-1 18: 57 41 55 70 82 68 71 83 44 56 67 112 81 69 96 84 42 54 0.870 20.57 -143.1 77 98 87 97 138 7.8 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9695 1277.2 9.9 scans 67% 94 m/z 0.066% 0.153% 2894 1.0 388 885159 22153096 21161544 1-4 20: 94 138 77 95 66 51 65 107 39 45 78 139 63 50 40 74 38 76 64 62 0.897 20.98 192.2 79 99 91 99 152 8.1 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1042 ?? Phytol 21.2830 1286.6 9.0 scans 40% 57 m/z (100) 6.8% 0.00627% 2946 1.4 78 8695 904078 785476 0-3 16: 57 56 112 96 95 55 70 71 83 111 85 113 72 141 138 82 0.884 35.35 -10.8 67 72 70 75 196 0.0 0.000 -14.064 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.3716 1289.3 9.6 scans 6.9% 281 m/z 3.5% 0.00173% 2962 1.3 40 16531 0.00199% 250303 237155 286643 2-0 8: 281 282 251 207 193 249 283 153 0.590 12.25 136.2 65 96 52 94 281 34.1 72.338 9.121 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0062 1308.3 8.0 scans 56% 175 m/z 0.089% 0.0813% 3069 1.1 314 664352 11710617 10957404 3-2 20: 175 57 190 176 91 147 115 117 191 105 80 128 131 64 119 159 58 129 103 145 0.914 22.01 207.9 79 99 88 99 190 87.2 7.735 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8958 1335.0 8.8 scans 68% 69 m/z (57) 0.31% 0.0593% 3220 1.3 241 189022 8549613 7885454 2-4 8: 69 109 86 110 128 95 59 170 0.945 22.91 221.4 71 95 89 95 127 29.6 1.507 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.5452 1354.5 11.0 scans 60% 57 m/z (59) 1.1% 0.0376% 3330 1.2 171 52003 5421485 4941725 0-2 20: 57 60 73 71 43 55 41 115 129 70 85 101 83 56 42 113 98 84 87 112 0.842 25.35 205.3 70 91 90 97 162 0.0 0.000 -1.809 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8397 1363.3 9.2 scans 45% 57 m/z (155) 1.0% 0.0180% 3380 0.9 126 54532 2597497 2281996 2-3 14: 57 71 85 41 72 114 184 56 70 86 42 98 73 58 0.749 23.86 -0.7 81 89 81 92 184 15.2 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0989 1371.9 7.1 scans 71% 73 m/z 0.25% 0.0455% 3424 1.0 251 233377 6562368 6318378 2-1 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 45 75 148 191 251 0.927 24.17 -151.9 80 100 92 99 429 71.4 8.061 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5611 1387.4 7.8 scans 71% 71 m/z 0.58% 0.0263% 3502 1.0 189 100830 3788590 3634513 2-1 20: 71 57 85 43 41 70 84 55 127 113 99 56 155 42 126 112 72 86 141 58 0.937 24.54 250.1 77 98 93 97 169 19.8 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7541 1393.8 >11 scans 63% TIC 0.84% 0.0201% 3535 1.3 147 70271 0.0383% 2901922 2751728 5516799 0-1 0.888 24.70 254.2 73 95 90 97 170 5.5 0.000 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2087 1409.0 8.6 scans 43% TIC 0.66% 0.00934% 3612 1.0 113 88382 1346539 1264677 1-1 0.605 25.24 -150.9 60 77 73 99 145 31.7 7.815 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1004 Nicotine 25.4915 1418.4 >23 scans 94% TIC 0.0082% 4.88% 3660 0.2 1590 7163873 703237120 670834695 0-2 1.000 25.89 261.4 80 99 99 99 162 459.7 8.357 -0.401 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0924 1471.9 6.7 scans 32% 221 m/z 2.8% 0.00363% 3931 0.9 74 20654 523973 488516 2-1 19: 221 73 147 281 222 355 267 443 148 223 149 74 282 205 207 191 356 444 268 0.820 27.12 297.0 73 95 77 93 355 15.1 4.151 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.7 scans 73% 57 m/z (163) 0.54% 0.0315% 3944 1.1 193 108236 0.0438% 4537960 4362710 6309029 1-0 19: 57 71 43 85 41 56 55 70 99 198 84 42 127 112 98 113 86 83 126 0.979 27.21 -1.3 95 98 97 98 198 20.6 1.143 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1114 ? Caryophyllene 27.8368 1499.4 8.3 scans 77% 93 m/z 0.67% 0.0941% 4057 1.1 337 87767 13559744 12851120 1-1 20: 93 133 79 91 69 41 71 57 107 43 55 105 81 135 77 121 120 70 67 85 0.905 27.84 314.0 73 94 90 97 204 20.5 0.371 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9325 1503.0 10.5 scans 76% 118 m/z 0.096% 0.181% 4074 1.9 404 610748 26165974 23839123 1-2 20: 118 146 145 105 78 58 51 119 104 147 63 42 117 91 65 41 39 64 77 50 0.944 27.93 316.3 79 99 92 98 146 178.1 19.443 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3805 1519.8 8.3 scans 60% 80 m/z (85) 0.42% 0.0249% 4149 1.0 165 140529 3594354 3281153 3-3 14: 80 171 104 53 78 91 77 170 81 51 65 103 172 52 0.916 28.39 326.4 75 99 94 99 171 70.1 18.093 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6562 1530.2 7.7 scans 77% 43 m/z (163) 0.13% 0.120% 4196 1.0 377 438401 0.128% 17344922 15880104 18437344 0-10 18: 43 69 41 151 136 107 67 125 93 109 53 83 121 39 81 68 108 77 0.940 28.67 332.8 76 99 96 99 194 21.7 0.331 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0919 1546.6 7.9 scans 72% 71 m/z (179) 0.33% 0.0657% 4270 1.1 277 178088 0.0994% 9471821 9179654 14317750 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 220 84 177 97 183 42 69 127 0.974 29.09 342.9 68 91 91 92 220 25.4 0.840 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0919 1546.6 7.9 scans 72% 71 m/z (126) 0.32% 0.0656% 4270 1.1 277 181744 0.0992% 9455115 9163464 14288942 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 220 84 177 97 183 42 69 127 0.961 29.10 342.7 70 93 95 94 227 5.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5146 1562.5 7.4 scans 93% 73 m/z 0.024% 0.779% 4341 0.8 1011 2456246 112265217 107087659 2-1 20: 73 281 147 282 415 341 503 283 221 399 328 148 416 329 74 342 417 207 343 400 0.989 29.61 -150.6 80 99 97 99 503 162.9 2.599 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1022 ? Nicotyrine 29.6468 1567.4 11.1 scans 48% 158 m/z (177) 0.037% 0.409% 4364 0.8 593 1572688 58949286 55638530 2-2 20: 158 157 130 116 89 63 156 90 78 131 104 143 42 142 80 62 50 128 64 102 0.925 29.68 354.8 77 100 93 99 158 332.4 31.431 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7625 1571.8 8.1 scans 73% 123 m/z 0.042% 0.163% 4383 1.1 447 1388448 23548117 21877778 1-3 18: 123 43 135 124 107 91 95 79 109 77 39 81 67 97 93 53 105 165 0.912 29.77 357.8 79 99 90 99 193 36.3 0.662 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9384 1578.4 8.5 scans 72% 71 m/z 0.16% 0.111% 4413 0.8 349 353262 16026882 15198536 1-3 20: 71 85 57 43 99 113 41 55 69 127 84 70 155 56 83 169 141 72 126 42 0.909 29.94 362.0 76 98 90 97 254 9.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3215 1592.8 7.8 scans 46% 57 m/z (125) 0.57% 0.0264% 4478 1.2 180 102389 0.0305% 3805411 3752602 4393273 1-2 17: 57 71 43 85 41 56 55 212 99 70 42 207 113 98 108 83 154 0.920 30.38 -2.1 87 90 92 94 212 21.4 1.422 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4975 1600.0 7.6 scans 86% 191 m/z 0.028% 0.260% 4508 0.9 579 2049297 37503733 34612737 2-3 20: 191 206 192 57 163 74 41 91 175 115 107 73 88 207 77 128 147 161 133 105 0.984 30.50 375.2 81 100 98 100 206 152.3 6.926 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8251 1613.7 8.4 scans 48% 124 m/z (71) 0.67% 0.0258% 4563 1.0 168 88000 3716767 3459720 3-3 10: 124 137 180 125 138 54 82 96 181 152 0.971 30.81 384.3 74 97 95 98 180 43.0 6.583 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8835 1616.2 9.6 scans 41% 105 m/z (182) 1.2% 0.0262% 4573 0.9 158 45671 3783758 3459943 2-2 18: 105 91 148 119 134 204 133 146 104 131 155 90 164 149 80 116 52 92 0.949 30.88 0.2 90 92 85 97 204 20.5 1.683 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9408 1618.6 8.8 scans 8.9% 171 m/z (182) 4.3% 0.00221% 4583 1.0 46 13508 0.00239% 318474 297748 344260 4-0 2: 171 172 0.862 30.93 0.6 85 90 71 92 171 30.8 44.240 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2265 1630.6 11.5 scans 84% TIC 0.055% 0.432% 4631 0.5 613 1070129 62321667 56382678 3-1 0.947 31.18 395.6 77 97 95 98 180 131.5 4.602 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3186 1634.5 9.1 scans 71% 69 m/z (197) 0.43% 0.167% 4647 1.0 408 134608 24096673 21568154 1-8 20: 69 71 95 57 55 109 85 194 41 81 161 123 111 67 43 137 179 82 136 83 0.957 31.35 397.0 68 88 88 98 194 74.4 3.319 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5128 1642.6 8.7 scans 74% 43 m/z (105) 0.32% 0.0527% 4680 0.9 238 182519 7602945 7200990 1-1 19: 43 98 111 166 55 82 151 41 83 85 71 127 68 67 107 99 69 59 39 0.976 31.52 -0.1 95 97 97 99 166 46.8 3.860 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7808 1653.9 8.7 scans 11% 193 m/z (123) 2.5% 0.00320% 4725 1.1 59 22876 461067 432832 2-1 3: 193 197 194 0.389 31.80 -0.6 65 80 39 81 208 11.4 3.768 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9149 1659.5 8.0 scans 41% 71 m/z (115 109) 1.8% 0.0154% 4748 0.6 125 32028 2223560 2130766 1-1 18: 71 57 85 55 113 41 97 70 99 56 69 141 210 84 127 155 169 111 0.871 31.92 -0.2 83 94 85 92 219 7.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0748 1666.2 6.8 scans 35% 221 m/z (163) 1.6% 0.00841% 4775 1.0 107 36737 1211809 1125934 2-1 18: 221 73 147 207 222 295 355 341 325 223 281 267 148 74 356 297 208 279 0.939 32.08 -0.2 95 99 92 98 355 18.1 2.832 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2325 1672.9 8.8 scans 43% 57 m/z 0.64% 0.0316% 4801 1.6 186 91629 4559473 4001783 2-2 20: 57 79 43 71 85 41 105 55 56 91 183 99 70 113 182 69 42 83 78 97 0.641 32.24 -0.2 76 85 62 90 226 7.2 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4343 1681.4 9.5 scans 49% 57 m/z (86) 0.92% 0.0255% 4836 1.0 156 64221 3673408 3336439 0-2 19: 57 85 71 56 43 197 41 196 55 99 111 141 127 70 165 125 183 42 58 0.921 32.44 -0.3 83 89 84 91 226 5.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1122 ? Longipinocarvone 32.5589 1686.6 7.9 scans 65% 134 m/z (208) 1.1% 0.0517% 4857 1.0 245 50476 7453880 6923290 2-1 20: 134 69 91 135 41 71 79 93 85 133 77 57 92 107 43 105 119 67 175 53 0.907 32.60 430.4 72 93 90 99 218 10.4 0.181 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.9 scans 37% 205 m/z 2.1% 0.0190% 4875 1.3 149 27134 2743346 2507802 1-3 12: 205 105 119 93 159 79 150 135 162 149 187 146 0.635 32.67 -0.4 90 93 62 90 220 10.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8641 1699.4 7.5 scans 24% 70 m/z (149) 1.2% 0.0122% 4909 1.1 117 47124 1769616 1555410 9-4 3: 70 201 195 0.768 32.87 -0.1 76 89 77 88 186 5.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9290 1702.1 7.9 scans 31% 71 m/z 0.26% 0.0192% 4920 0.8 156 221995 2778114 2609172 2-3 12: 71 43 159 243 111 72 173 124 155 143 89 73 0.851 32.93 -0.2 93 95 81 93 243 24.5 2.473 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0855 1708.7 7.5 scans 40% 83 m/z (216) 3.5% 0.0114% 4946 1.2 120 16742 1655388 1539501 1-2 20: 83 97 55 57 70 111 69 56 41 43 84 85 82 197 71 98 68 151 67 112 0.931 33.09 0.0 85 87 93 98 224 6.0 0.252 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 7.3 scans 67% 57 m/z (203) 0.39% 0.0435% 4984 0.7 223 151576 6271812 5554730 3-9 18: 57 71 43 85 41 55 99 56 70 113 226 84 42 98 182 112 141 58 0.970 33.37 -2.8 92 98 94 97 226 23.7 1.131 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8287 1727.3 8.2 scans 8.2% 217 m/z (145) 3.2% 0.00223% 5072 1.1 49 17988 321338 287564 5-1 4: 217 232 157 218 0.780 33.83 452.6 67 93 62 94 232 22.1 20.076 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8901 1728.2 8.0 scans 36% 71 m/z (182) 1.5% 0.0182% 5082 1.0 141 38170 2624009 2300142 8-1 18: 71 57 43 85 70 164 41 99 196 56 113 124 111 195 152 68 127 197 0.628 33.90 -0.1 77 80 86 91 197 22.4 2.510 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2703 1733.6 8.3 scans 27% 57 m/z (173) 1.8% 0.00879% 5147 0.9 99 32751 1267153 1140867 0-2 18: 57 71 85 43 210 98 182 113 184 72 211 58 127 56 141 162 97 139 0.889 34.27 0.0 87 93 82 93 211 18.3 3.466 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4356 1736.0 11.3 scans 94% 73 m/z 0.013% 2.20% 5175 0.6 1402 4312949 317351267 303121101 2-2 20: 73 221 147 402 403 207 283 223 341 191 399 205 265 45 59 386 117 251 326 208 0.989 34.39 453.0 81 100 99 100 415 170.8 1.485 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8222 1741.5 16.0 scans 92% 91 m/z 0.030% 0.749% 5240 0.3 699 1949341 108018253 104704913 1-1 20: 91 155 199 65 90 184 92 89 44 120 63 137 106 39 77 64 51 134 156 200 0.991 34.79 452.5 81 100 98 100 199 190.8 7.456 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9114 1742.8 >10 scans 42% TIC 1.2% 0.0102% 5255 0.0 156 47429 0.0188% 1483547 1483547 2707985 0-0 0.888 34.90 0.1 91 94 91 98 224 17.3 1.221 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6947 1754.0 9.1 scans 61% 123 m/z (57) 0.24% 0.0686% 5388 1.1 259 239443 9885251 8981532 3-2 19: 123 43 193 109 209 125 105 91 79 77 175 95 121 131 149 194 133 195 165 0.979 35.70 451.3 74 95 94 96 224 19.4 0.563 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9315 1757.4 9.3 scans 73% 91 m/z (99) 0.31% 0.0949% 5428 1.2 307 190383 13674002 12965788 1-4 15: 91 155 184 65 148 97 92 44 199 105 159 89 63 39 156 0.920 35.94 451.0 66 91 80 93 238 7.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1186 ?? Cotinine 36.2154 1761.5 10.2 scans 10% 98 m/z (71) 1.8% 0.00591% 5476 1.5 72 32862 851333 740927 1-3 14: 98 176 119 118 145 121 115 175 90 51 177 100 80 184 0.704 36.19 -88.3 69 97 72 93 176 28.7 15.971 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5797 1766.7 >10 scans 18% TIC 1.9% 0.00607% 5538 2.6 103 30075 874448 823864 0-1 0.634 36.58 450.2 73 98 81 97 369 15.7 2.354 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1948 1775.5 8.3 scans 26% 209 m/z (71) 1.2% 0.0112% 5642 1.2 113 46846 1620017 1565727 2-2 12: 209 224 181 210 165 179 178 166 194 103 239 152 0.848 37.20 449.2 73 96 87 99 224 35.0 9.533 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3052 1777.0 8.1 scans 52% 71 m/z (239) 0.84% 0.0322% 5661 1.0 185 70349 0.0448% 4638842 4148436 6453071 1-1 20: 71 85 57 43 99 113 127 72 84 41 69 55 155 70 141 56 126 86 211 111 0.980 38.91 -23.0 80 83 94 83 254 0.0 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0637 1787.9 8.7 scans 53% 57 m/z 0.59% 0.0242% 5789 1.1 184 99717 3490551 3385420 1-2 20: 57 71 85 43 56 41 99 55 225 224 113 127 69 70 98 141 83 239 42 97 0.867 38.06 448.2 76 98 87 96 225 33.3 3.257 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.6405 1796.1 7.9 scans 91% 73 m/z 0.033% 0.523% 5887 0.9 802 1790273 75357169 71209799 2-3 20: 73 147 429 221 430 281 431 222 74 401 148 282 267 223 432 459 75 327 475 208 0.990 38.59 448.0 81 100 99 100 429 222.9 7.737 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.8737 1919.5 >11 scans 95% 280 m/z 0.019% 2.90% 6097 0.0 1656 3082566 417756022 396908061 1-0 7: 280 151 183 223 206 89 196 0.997 39.94 550.4 78 97 99 97 278 46.5 0.000 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4221 1987.5 7.3 scans 36% 149 m/z (81) 0.19% 0.0283% 6189 1.0 186 301012 4078336 3641477 2-9 9: 149 150 104 223 76 132 167 205 50 0.924 40.31 612.6 75 98 93 98 223 38.5 4.272 0.117 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N406_R~1-N1110 Phytol 40.4622 1992.4 7.4 scans 64% 81 m/z 0.41% 0.0742% 6196 1.0 336 143099 0.0839% 10688501 9856662 12085103 1-3 18: 81 82 95 68 123 69 43 67 79 83 55 96 71 109 124 97 110 278 0.961 40.66 -24.8 93 94 92 93 278 34.2 1.038 -0.200 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6287 2013.1 7.2 scans 17% 221 m/z (162) 2.4% 0.00745% 6224 1.3 96 24479 1073201 957519 2-8 13: 221 73 295 207 281 296 282 355 279 370 74 371 265 0.785 40.63 633.0 70 97 84 98 369 15.2 2.515 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1254 Phytol 40.9097 2047.9 7.6 scans 79% 82 m/z 0.34% 0.100% 6272 1.0 373 173230 14417083 13806578 1-1 20: 82 81 95 68 123 57 43 69 71 83 55 79 41 67 96 97 124 109 278 85 0.970 40.87 5.2 99 99 96 98 278 44.7 1.440 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1144 Sclareoloxide 41.2698 2092.6 19.9 scans 96% 109 m/z 0.021% 5.15% 6333 0.2 1726 2730325 742303627 711664620 0-10 20: 109 81 95 177 121 43 107 229 69 91 79 67 41 136 149 124 71 150 105 77 0.999 41.13 704.8 80 99 99 100 262 366.4 4.510 0.141 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1256 ?? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2698 2092.6 19.9 scans 59% 109 m/z (191) 0.021% 3.35% 6333 0.2 1363 2814891 482599543 462679971 0-10 20: 109 81 95 177 121 43 107 229 69 91 79 67 41 136 149 124 71 150 105 77 0.952 41.26 1.6 62 65 70 65 264 0.0 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3247 2099.4 >8 scans 59% TIC 0.23% 0.0456% 6342 2.8 270 253426 6569883 6065193 0-2 0.947 41.29 709.0 76 96 86 96 229 15.4 0.000 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4812 2118.8 8.6 scans 75% 205 m/z 0.22% 0.200% 6369 0.7 486 261620 28883008 26295976 2-2 20: 205 57 217 175 189 177 220 55 232 91 41 261 203 191 161 77 109 192 206 163 0.930 41.49 -77.8 86 100 93 99 276 31.7 0.426 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0361 2150.0 8.2 scans 72% 74 m/z (133) 0.17% 0.0904% 6462 1.1 323 329634 13027076 12506082 1-2 17: 74 87 143 75 43 55 227 41 270 59 88 239 101 129 185 83 199 0.946 42.01 748.0 76 98 95 98 272 7.9 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2740 2163.4 12.0 scans 93% 81 m/z 0.047% 2.25% 6503 0.4 1366 1242485 324511391 299945534 2-2 20: 81 93 95 69 79 91 137 109 41 67 123 107 55 119 105 133 77 97 136 135 0.995 42.05 12.8 79 78 85 80 272 80.1 0.344 0.229 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3737 2169.0 8.0 scans 50% 73 m/z (257) 0.32% 0.0503% 6519 1.1 241 182817 7246535 6677779 1-4 20: 73 147 281 221 355 429 207 503 282 74 283 222 415 504 505 325 341 295 327 267 0.932 42.37 760.0 74 95 95 99 503 37.2 2.391 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.4133 2171.2 8.9 scans 63% 257 m/z (73) 0.74% 0.0836% 6526 1.0 284 79579 12053919 10781683 3-1 20: 257 105 161 91 272 107 187 93 79 95 133 69 258 175 55 77 120 135 145 92 0.962 42.40 0.8 75 77 85 77 272 43.4 2.334 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 42.6919 2186.9 12.8 scans 38% TIC 0.18% 0.317% 6573 0.8 501 316858 45733178 43378609 2-2 0.457 43.15 -25.9 79 85 46 81 272 106.6 0.000 -0.462 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 42.9369 2200.6 >11 scans 46% 272 m/z (189) 1.7% 0.0338% 6615 0.6 167 34513 4880714 4373561 2-1 10: 272 142 134 185 273 199 257 186 243 143 0.813 42.99 -3.0 72 77 67 76 272 21.3 1.622 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4747 2230.8 >15 scans 68% TIC 0.37% 0.142% 6706 0.9 348 157126 20456194 19172436 3-0 0.929 43.44 2.1 83 83 78 90 272 22.0 0.000 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5863 2237.1 9.0 scans 87% 79 m/z (70) 0.16% 0.467% 6725 0.8 681 356081 67346426 60233214 1-4 20: 79 81 95 93 91 69 135 107 105 257 41 55 119 77 121 134 216 67 137 133 0.989 43.55 1.9 98 99 98 100 272 72.9 1.146 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1242 ?? Kaur-15-ene, (5?,9?,10?)- 43.7038 2243.7 7.5 scans 8.3% 148 m/z (100) 6.0% 0.00185% 6745 0.8 50 9744 267030 237344 0-1 6: 148 133 272 190 273 85 0.663 43.66 2.5 60 72 36 71 272 10.4 4.366 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N419_R~1-N1158 Manool oxide 43.8271 2250.6 9.5 scans 93% 275 m/z 0.067% 0.938% 6766 0.6 989 871399 135239055 127428856 2-1 20: 275 81 192 177 137 95 55 67 69 43 109 191 41 79 107 93 121 82 276 258 0.991 43.83 813.0 81 100 99 100 275 247.4 6.255 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0946 2265.8 9.5 scans 30% 95 m/z (73) 1.9% 0.0126% 6811 1.1 113 29815 1817440 1597023 1-1 19: 95 121 107 79 136 93 91 77 92 272 110 105 53 258 123 115 80 150 67 0.896 44.05 2.3 85 91 80 90 272 13.7 1.460 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1238 Trachylobane 44.2244 2273.3 8.8 scans 89% 79 m/z 0.091% 0.754% 6833 0.8 917 646045 108615642 99897764 2-1 20: 79 81 95 93 91 135 69 107 109 105 119 55 41 121 134 77 216 67 133 147 0.984 44.15 4.0 100 99 98 100 272 109.6 1.428 0.070 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5715 2293.3 9.0 scans 49% 191 m/z (137) 0.42% 0.0710% 6892 0.8 264 140050 0.0827% 10227743 9691549 11912253 0-3 8: 191 109 135 192 272 102 60 193 0.951 44.55 1.1 92 94 90 96 272 25.0 0.895 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1234 Thunbergol 45.3224 2336.5 >12 scans 45% 259 m/z 0.033% 1.22% 7019 0.1 1225 1753326 176352058 176352058 0-0 8: 259 233 90 206 263 235 253 172 0.868 44.90 24.3 84 85 75 85 272 64.3 0.000 0.421 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.7073 2358.6 7.2 scans 43% 191 m/z (255) 1.3% 0.0223% 7085 1.0 173 43421 3213350 3213350 0-0 12: 191 123 125 82 124 136 67 206 96 150 68 122 0.946 45.56 8.2 93 97 93 96 290 18.2 1.111 0.144 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8018 2364.1 7.5 scans 23% 73 m/z 1.2% 0.00993% 7100 1.1 118 45860 1430559 1274799 2-1 19: 73 355 147 221 281 356 357 207 429 222 74 341 235 282 125 295 503 415 296 0.781 45.78 1.5 91 94 79 92 503 11.0 0.868 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N419_R~1-N1168 UNK Hydrocarbon ring structure 45.9747 2374.0 10.3 scans 78% 204 m/z 0.038% 0.808% 7130 0.5 873 1549364 116444831 109470860 3-4 19: 204 109 80 93 161 133 107 119 108 105 91 95 205 55 189 121 122 148 135 0.877 45.98 894.3 80 100 90 100 204 329.9 14.287 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1230 ? C18:3-butanoate 46.1288 2382.9 >5 scans 31% TIC 1.6% 0.00282% 7156 0.5 128 36619 406929 390569 1-0 0.832 46.13 -0.3 73 80 70 81 292 8.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4736 2402.7 9.3 scans 63% TIC 0.55% 0.0444% 7214 1.4 247 106316 6400649 5771281 1-4 0.879 46.49 -1.3 96 97 86 96 290 30.3 1.497 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8856 2426.5 8.6 scans 46% 191 m/z (215) 1.1% 0.0211% 7284 1.0 154 52996 3045342 2890244 3-1 8: 191 123 192 139 82 290 275 190 0.947 46.86 1.6 92 96 92 96 290 17.2 1.238 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2900 2449.7 8.9 scans 73% 93 m/z (206) 0.84% 0.107% 7353 1.1 324 70313 15491093 13947150 5-2 20: 93 134 79 119 41 81 107 95 91 255 69 121 135 105 55 67 133 109 77 120 0.972 47.36 -3.8 73 70 85 86 272 16.7 0.265 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9435 2487.4 8.7 scans 84% 134 m/z 0.21% 0.151% 7463 0.9 421 269998 21809532 20617292 2-2 20: 134 119 81 84 69 95 191 79 43 55 41 109 93 135 121 107 178 123 67 91 0.950 47.95 -0.2 100 100 95 99 272 39.7 0.892 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N419_R~1-N1164 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.9630 2546.0 17.0 scans 93% 95 m/z 0.061% 2.20% 7636 0.3 1167 963704 317895211 299087977 0-5 20: 95 81 177 109 69 43 123 82 55 121 71 107 67 191 93 83 41 135 137 79 0.997 48.96 995.2 81 100 100 100 290 92.6 0.629 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BQLD_R~1-N1054 ?? Manool 49.1708 2558.0 9.5 scans 66% 81 m/z (226) 1.5% 0.0542% 7671 0.9 214 38256 7819693 6871386 2-3 20: 81 137 95 69 93 41 109 67 55 123 79 121 257 107 149 91 135 275 136 105 0.954 45.16 1094.3 64 87 89 91 272 14.0 0.000 4.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN N419_R~1-N1166 Pimara-7,15-dien-3-one 49.9860 2604.9 9.2 scans 92% 93 m/z 0.14% 0.558% 7809 0.7 771 420086 80436668 73296642 3-1 20: 93 71 79 107 81 55 91 43 120 119 123 67 80 135 105 41 134 95 121 109 0.990 49.99 1027.5 81 100 99 100 286 47.9 0.387 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8580 2712.6 7.6 scans 34% TIC 3.3% 0.00200% 8126 0.8 66 17893 289094 280161 0-2 0.682 51.86 1081.7 71 95 67 92 503 10.5 2.505 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6432 2872.8 9.3 scans 19% 73 m/z (57) 5.8% 0.00279% 8597 1.1 51 10050 401833 377824 1-1 7: 73 430 295 281 283 356 148 0.668 45.81 1396.3 67 96 71 94 503 7.1 1.889 8.831 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1030 Pentacosane 54.6668 2874.2 9.0 scans 62% 57 m/z (73) 1.8% 0.0120% 8602 1.3 109 31623 1731255 1636581 1-5 18: 57 71 85 43 99 55 41 69 83 84 70 98 111 141 352 42 58 125 0.899 54.79 -7.1 85 91 83 87 352 7.0 0.000 -0.123 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP1.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7790 3168.3 12.7 scans 23% 55 m/z 6.6% 0.00167% 9468 1.5 37 8880 240524 212580 3-1 9: 55 141 83 127 97 70 99 84 113 0.397 59.97 -10.8 63 68 32 63 380 1.9 0.000 -0.188 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2431 774.7 >22 scans 81% 77 m/z 0.14% 0.0552% 60 4.0 189 394907 9548003 8901463 1-1 17: 77 45 78 62 76 79 59 75 63 47 61 58 41 67 42 48 39 0.971 4.37 20.7 100 100 99 100 77 161.2 73.034 -0.128 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.2112 826.0 12.6 scans 45% 57 m/z 1.5% 0.00346% 394 0.2 61 36974 599285 523162 2-6 7: 57 41 39 87 86 102 38 0.776 6.03 -135.6 63 91 72 90 102 8.4 0.000 0.178 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5212 834.0 16.5 scans 57% TIC 0.64% 0.0124% 446 2.9 98 90749 2148318 1993502 1-2 0.691 6.53 -142.8 79 100 83 99 207 77.3 61.561 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6286 862.9 8.2 scans 84% 69 m/z 1.2% 0.0224% 634 2.4 160 48159 3874410 3623825 1-2 19: 69 41 55 83 39 42 57 98 70 97 56 43 80 53 54 68 79 51 38 0.955 7.71 7.6 100 100 95 99 98 32.9 4.262 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2120 982.2 10.5 scans 58% 281 m/z (108) 0.58% 0.0213% 1410 2.1 135 99520 3691097 3164722 3-4 20: 281 43 282 283 99 41 69 111 133 249 71 207 284 39 205 251 163 192 125 142 0.890 12.22 35.9 91 96 73 100 281 80.9 35.984 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6559 993.7 10.6 scans 73% TIC 0.64% 0.0158% 1485 2.3 127 91427 2739017 2387785 1-2 0.941 13.22 30.1 94 95 90 98 110 37.8 8.813 -0.566 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1040 ?? Decane 13.6270 1019.8 8.1 scans 27% 71 m/z (74) 10% 0.000944% 1650 0.9 34 5354 163216 140987 3-2 6: 71 57 112 113 70 85 0.864 12.90 19.8 62 71 63 69 142 0.0 0.000 0.729 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1016 Limonene 13.8838 1026.8 8.1 scans 59% 68 m/z (84) 3.4% 0.00867% 1694 1.4 101 17062 1500572 1324282 3-5 8: 68 67 121 136 107 92 95 91 0.810 13.89 51.5 80 92 87 93 136 16.5 2.694 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0975 1032.6 20.8 scans 94% 108 m/z 0.081% 0.235% 1729 0.6 473 721130 0.411% 40744333 39324886 71087977 2-0 20: 108 77 54 51 89 91 109 90 65 53 52 76 105 62 92 37 64 48 106 44 0.995 14.11 53.6 92 100 100 100 108 207.0 19.188 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4375 1041.8 9.4 scans 87% 91 m/z 0.10% 0.0724% 1787 1.6 270 537089 12526197 11223351 2-4 19: 91 92 120 65 63 39 89 51 62 50 121 90 64 93 61 38 74 52 37 0.979 14.44 57.0 91 100 98 100 120 87.2 10.406 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1630 1061.4 >12 scans 85% TIC 0.19% 0.0496% 1910 1.0 237 306132 8581479 8004801 6-0 0.976 15.17 64.0 89 100 97 100 123 83.5 12.361 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2085 1062.7 13.1 scans 8.5% 109 m/z 2.7% 0.00260% 1918 3.2 58 21554 0.00392% 450770 414540 678017 0-3 5: 109 94 67 110 66 0.834 16.11 -207.5 66 95 74 94 109 35.8 37.534 -0.901 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN 98-86-2 ? Acetophenone 15.2569 1064.0 9.6 scans 74% 105 m/z 0.15% 0.0559% 1926 1.2 260 366940 9680073 8893485 0-3 20: 105 77 120 51 50 78 43 106 121 74 76 65 63 75 38 39 62 52 91 73 0.968 15.29 -181.7 79 99 97 99 120 92.0 12.491 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4222 1068.4 9.1 scans 56% 95 m/z 0.57% 0.0187% 1954 1.4 152 101676 3238411 3100778 1-1 18: 95 81 124 43 79 53 109 39 82 41 96 66 55 80 123 52 110 54 0.857 15.43 66.7 85 97 85 97 124 46.1 9.188 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5025 1070.6 >13 scans 15% 70 m/z (95) 11% 0.00232% 1968 999.0 45 5047 0.00896% 402260 378232 1549752 0-3 3: 70 124 68 0.655 18.83 17.9 64 77 64 75 122 4.2 0.000 -3.328 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1008 ? Maltol 16.9494 1115.3 >11 scans 59% TIC 0.89% 0.0118% 2213 1.1 131 65810 2052188 1878377 1-1 0.778 16.96 90.7 79 99 74 97 156 6.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0751 1120.6 13.0 scans 79% 91 m/z 0.14% 0.0710% 2234 0.9 252 395956 12291116 11545305 2-4 17: 91 92 122 65 51 63 89 39 78 123 103 50 62 66 52 105 104 0.964 17.05 94.6 79 98 94 98 122 85.2 11.466 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.0781 1163.0 10.6 scans 70% 73 m/z (270) 0.78% 0.0181% 2404 1.1 133 75000 3133173 2865746 5-2 20: 73 355 267 356 269 268 339 193 74 265 357 237 249 163 223 162 75 179 359 45 0.888 18.09 121.4 75 97 88 98 355 58.3 19.203 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0781 1163.0 10.6 scans 67% 73 m/z 0.86% 0.0166% 2404 1.1 131 67934 2873960 2628658 5-2 20: 73 355 267 356 269 268 339 193 74 265 357 237 249 163 223 162 75 179 359 45 0.879 18.13 -168.7 79 99 85 98 355 58.1 19.744 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN M4942-N1002 ? Pyranone 18.2640 1170.8 12.1 scans 78% 43 m/z 0.35% 0.0606% 2435 0.9 236 167282 10485133 9850306 2-4 20: 43 144 101 44 72 55 73 45 42 145 41 53 58 71 54 38 67 40 37 87 0.897 20.04 -219.7 79 99 93 99 144 99.9 17.977 -1.778 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1022 ? Octanal 18.8408 1195.2 >13 scans 35% TIC 1.8% 0.00786% 2533 0.0 106 32194 0.0163% 1359423 1308469 2819304 1-0 0.765 12.96 20.4 73 73 79 88 110 5.0 0.000 5.886 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1176 1206.9 8.7 scans 13% 82 m/z (41) 4.2% 0.00229% 2580 2.8 47 13895 397663 367438 2-1 3: 82 54 81 0.843 19.12 149.8 65 93 79 91 97 4.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1004 ?? Octanoic acid 19.1891 1209.9 16.8 scans 41% 60 m/z 2.3% 0.0118% 2592 0.5 100 25148 2048265 1866658 1-2 20: 60 69 85 101 73 115 41 107 42 88 108 79 39 109 139 74 86 80 53 70 0.697 19.87 141.6 68 93 70 92 144 3.5 0.000 -0.682 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1012 ?? Nicotine 19.6973 1231.4 8.7 scans 2.5% 133 m/z 21% 0.000064% 2678 1.4 14 2778 11153 11153 0-0 6: 133 127 105 102 99 57 0.335 25.78 76.1 60 100 100 100 162 0.0 0.000 -6.081 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7511 1233.7 10.6 scans 24% 119 m/z 2.2% 0.00368% 2688 1.1 63 26581 637452 581700 2-2 5: 119 91 134 120 65 0.890 13.76 34.2 72 77 66 77 134 23.4 13.928 5.994 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7930 1235.4 8.5 scans 66% 57 m/z 0.52% 0.0215% 2695 1.5 164 111178 3732470 3387513 4-4 18: 57 45 75 41 56 89 72 101 100 85 60 71 73 58 44 62 132 61 0.880 19.81 167.9 78 99 90 99 144 4.2 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1004 ? Dodecane 20.3148 1257.5 12.0 scans 11% 57 m/z 3.6% 0.000833% 2783 0.8 40 16203 0.00150% 144099 129753 259445 2-0 4: 57 141 72 140 0.485 20.32 -0.2 76 81 33 78 170 9.7 6.025 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5191 1263.7 8.2 scans 37% 57 m/z 3.4% 0.00552% 2818 1.1 94 16848 956389 870150 3-1 13: 57 68 83 55 112 70 71 44 81 67 96 56 84 0.781 20.56 185.0 72 98 78 97 128 9.3 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1034 ? Decanal 20.5238 1263.8 9.2 scans 27% TIC 3.0% 0.00390% 2818 0.8 80 19143 675605 634187 1-1 0.506 20.57 -143.2 72 95 49 92 138 5.7 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1064 ?? Benzoic acid 20.5575 1264.8 25.8 scans 24% 105 m/z (57 85) 3.3% 0.00756% 2824 1.4 60 17661 1308626 1242254 1-1 4: 105 122 59 73 0.792 20.03 194.1 67 95 86 95 122 31.5 27.512 0.528 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.7664 1271.1 7.9 scans 46% 57 m/z (138) 2.1% 0.00526% 2859 1.1 80 26951 911135 792892 2-2 13: 57 71 43 56 98 112 70 113 58 45 85 108 140 0.899 33.32 4.1 71 77 83 81 226 0.0 0.000 -12.553 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1006 Arosol 20.9707 1277.2 9.5 scans 78% 94 m/z 0.084% 0.103% 2894 1.1 343 697082 17882943 16374153 2-2 19: 94 138 77 95 66 51 65 107 39 45 50 139 63 40 38 78 64 55 76 0.955 20.98 192.2 80 100 99 100 152 6.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.3544 1288.7 10.5 scans 7.3% 281 m/z (97) 2.9% 0.00266% 2959 1.8 46 19963 461567 407654 4-2 12: 281 282 193 251 207 249 120 80 265 284 283 194 0.541 12.25 135.6 70 97 59 96 281 36.2 63.150 9.103 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0049 1308.3 8.0 scans 55% 175 m/z 0.19% 0.0302% 3069 1.0 204 308183 5225996 4966065 2-2 18: 175 57 190 176 91 147 115 66 117 191 105 80 128 131 132 58 119 129 0.834 22.01 207.9 80 100 86 99 190 57.1 7.851 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8958 1335.0 9.0 scans 49% 69 m/z (57) 1.0% 0.0154% 3220 1.5 121 53971 2678452 2304537 4-4 6: 69 109 110 128 129 59 0.920 22.91 221.4 64 89 82 89 127 16.8 1.928 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.7022 1359.2 >20 scans 88% 73 m/z 0.14% 0.235% 3357 0.1 413 398794 40756029 37872179 1-3 20: 73 60 57 41 55 129 115 43 69 98 87 39 61 83 56 45 42 96 101 74 0.976 25.35 210.0 77 95 94 99 162 0.0 0.000 -1.652 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.7022 1359.2 >20 scans 84% 73 m/z (71) 0.14% 0.241% 3357 0.1 403 414331 41701028 38750312 1-3 20: 73 60 57 41 55 129 115 43 69 98 87 39 61 83 56 45 42 96 101 74 0.981 22.70 -116.1 73 94 92 98 158 28.6 0.504 1.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8238 1362.9 11.0 scans 33% 71 m/z (99) 3.2% 0.00497% 3378 0.7 73 17833 0.00538% 859737 841527 930543 0-4 18: 71 69 43 98 55 56 54 83 58 95 70 41 112 84 126 111 127 86 0.784 23.86 -1.1 85 94 84 92 184 9.5 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0953 1371.8 7.1 scans 69% 73 m/z 0.38% 0.0259% 3423 1.1 202 151221 4486563 4155299 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 327 344 207 249 432 251 75 311 267 0.908 24.17 -152.0 80 99 90 99 429 61.2 9.155 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5593 1387.3 7.8 scans 53% 71 m/z 1.5% 0.00742% 3502 1.0 107 38630 1283442 1171034 2-1 16: 71 57 85 43 127 70 84 99 113 72 56 169 155 126 112 58 0.850 24.54 250.0 74 97 85 95 169 12.7 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7382 1393.3 19.2 scans 48% 43 m/z (69) 1.7% 0.0126% 3532 1.0 100 33238 0.0161% 2192280 2079133 2784711 0-2 15: 43 83 142 113 82 138 56 85 111 100 41 44 114 84 107 0.888 24.70 253.7 66 93 87 93 170 4.0 0.000 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1032 ?? Dodecane 24.8976 1398.6 13.3 scans 37% 71 m/z (177) 4.0% 0.00557% 3559 1.9 69 14378 964617 888754 2-1 14: 71 57 43 85 122 70 137 41 84 99 113 138 155 123 0.789 20.36 -1.6 68 76 84 75 170 1.9 0.000 4.540 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2104 1409.0 7.4 scans 28% 43 m/z 1.4% 0.00265% 3612 1.0 65 40580 458838 411641 3-1 9: 43 145 85 103 116 115 86 125 127 0.584 25.24 -150.9 73 99 90 98 145 23.3 12.638 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1004 Nicotine 25.5086 1419.0 >23 scans 95% TIC 0.0077% 3.92% 3663 0.2 1484 7577814 679225262 653843629 0-4 1.000 25.89 262.0 80 98 98 99 162 417.3 7.906 -0.383 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0883 1471.8 6.5 scans 39% 221 m/z 2.8% 0.00339% 3930 1.2 76 20308 586580 558589 1-2 19: 221 73 147 222 281 267 223 282 149 283 443 356 268 207 357 74 205 191 269 0.880 27.12 296.9 74 96 82 95 355 15.0 3.926 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1656 1474.4 8.1 scans 69% 57 m/z (183) 0.79% 0.0167% 3943 1.2 146 74039 0.0221% 2902885 2795678 3822492 1-0 18: 57 71 43 85 41 56 55 99 70 198 42 86 98 127 113 112 126 155 0.965 27.21 -1.4 94 98 95 97 198 17.8 1.494 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1114 ? Caryophyllene 27.8415 1499.6 8.2 scans 84% 93 m/z 0.35% 0.115% 4058 0.9 394 166207 19934543 18798500 2-1 20: 93 133 91 79 69 41 105 77 120 81 119 161 67 121 106 147 55 148 92 53 0.927 27.84 314.2 70 90 76 96 204 28.7 0.532 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1032 Myosmine 27.9555 1503.9 12.0 scans 82% 118 m/z 0.12% 0.122% 4077 1.6 344 456829 21229785 19602659 1-2 20: 118 146 145 105 78 51 119 104 117 91 147 65 42 41 63 64 39 76 50 77 0.964 27.93 317.2 80 99 95 99 146 149.2 18.868 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3935 1520.3 >9 scans 32% TIC 2.1% 0.00133% 4151 0.0 72 26848 0.00235% 231301 219702 406464 1-0 0.850 28.39 326.9 68 90 82 94 171 29.7 16.914 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6527 1530.1 7.9 scans 76% 43 m/z (183) 0.24% 0.0576% 4195 1.0 267 234542 9965090 8894490 6-9 18: 43 69 41 151 136 107 125 67 93 109 53 39 81 121 68 79 108 77 0.985 28.67 332.7 77 99 98 99 194 16.6 0.385 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0871 1546.4 7.8 scans 48% 71 m/z 0.65% 0.0196% 4269 1.2 177 89796 0.0274% 3401779 3179600 4739198 1-0 20: 71 57 43 85 41 141 70 55 220 207 113 56 99 112 84 135 183 97 140 69 0.709 29.10 342.5 67 93 83 90 227 1.8 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5140 1562.5 7.0 scans 72% 73 m/z 0.17% 0.0717% 4341 1.0 334 344453 12408763 11751155 2-2 20: 73 281 147 327 282 415 341 503 283 221 399 328 148 504 74 329 416 505 325 417 0.954 29.61 -150.6 79 99 94 99 503 56.5 2.852 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1022 Nicotyrine 29.6409 1567.2 9.7 scans 61% 158 m/z 0.047% 0.220% 4363 0.8 503 1243550 38193297 35090804 2-2 20: 158 157 130 159 116 117 77 89 156 63 90 104 51 143 42 142 103 39 62 50 0.872 29.68 354.6 80 100 89 99 158 286.1 32.307 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6533 1567.7 7.4 scans 36% 177 m/z (70) 0.11% 0.100% 4365 0.8 373 508654 17367486 16129838 2-1 15: 177 43 178 91 135 93 107 121 149 95 122 133 65 192 109 0.354 29.68 355.2 73 98 50 96 192 40.2 1.161 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7495 1571.3 8.0 scans 61% 123 m/z (151) 0.20% 0.0325% 4381 1.1 207 290316 5633983 5256662 0-3 7: 123 135 124 107 95 109 122 0.975 29.77 357.3 76 98 97 98 193 15.7 0.581 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9366 1578.3 8.7 scans 62% 71 m/z (74) 0.50% 0.0358% 4413 0.8 199 117135 6198373 5850339 1-2 13: 71 85 57 43 99 113 127 84 155 70 56 169 86 0.990 29.94 361.9 75 96 96 98 254 5.2 0.068 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3198 1592.7 7.8 scans 28% 57 m/z (153) 1.3% 0.00964% 4478 1.2 110 42372 1668273 1493159 0-5 17: 57 71 85 43 112 212 56 42 99 70 140 86 113 97 126 58 72 0.940 30.38 -2.2 81 85 82 91 212 14.8 1.817 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4992 1600.0 8.1 scans 86% 191 m/z 0.032% 0.199% 4508 1.0 522 1822758 34470089 32550952 2-2 20: 191 206 192 57 163 74 41 91 115 107 73 77 207 147 128 88 161 133 117 121 0.975 30.50 375.2 80 100 97 100 206 139.2 7.103 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8115 1613.2 8.4 scans 33% 124 m/z 0.91% 0.0106% 4561 1.1 120 63711 1835373 1664571 2-3 7: 124 137 180 125 168 138 54 0.821 30.81 383.8 73 94 75 93 180 35.8 8.957 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8711 1615.7 16.9 scans 35% TIC 0.70% 0.0137% 4571 0.9 146 83340 0.0187% 2375986 2269765 3234416 0-1 0.468 30.88 -0.3 92 96 50 93 204 28.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9307 1618.2 9.6 scans 7.2% 172 m/z 5.5% 0.00119% 4581 1.4 38 10546 0.00291% 206856 189531 503324 2-0 5: 172 171 156 173 169 0.885 30.93 0.2 81 90 68 89 171 26.2 47.301 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1044 ? UNK 31.21min 31.1923 1629.2 9.3 scans 73% 111 m/z (57) 0.19% 0.0936% 4626 0.8 322 307164 16198812 14810507 3-1 20: 111 137 109 43 67 180 110 124 152 95 41 39 79 81 112 69 77 53 93 165 0.920 31.20 393.8 73 98 91 96 180 70.3 4.761 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1934 1629.2 9.7 scans 76% TIC 0.18% 0.0846% 4626 0.8 327 314302 14636912 13412292 2-1 0.925 31.18 394.2 79 99 96 99 180 70.3 4.619 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1130 ? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3133 1634.2 9.2 scans 78% TIC 0.34% 0.143% 4646 0.9 420 167945 24871307 22165970 2-5 0.908 31.35 396.7 77 97 93 99 194 87.1 4.304 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5034 1642.2 8.5 scans 58% 43 m/z (122) 0.84% 0.0170% 4678 1.1 145 69741 2955751 2762234 1-1 19: 43 98 111 166 55 85 151 82 127 68 41 99 83 81 39 67 107 53 123 0.961 31.52 -0.5 95 98 96 98 166 28.2 3.795 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9213 1659.8 8.0 scans 27% 83 m/z (132) 1.7% 0.00647% 4749 0.9 92 32809 1119494 1028910 4-1 4: 83 82 210 155 0.872 31.92 0.1 68 78 72 77 219 3.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0807 1666.5 6.7 scans 73% 221 m/z (60) 0.28% 0.0397% 4776 0.9 251 208733 6868642 6481663 2-3 20: 221 73 147 222 207 295 355 341 223 281 296 148 267 74 342 356 208 297 357 205 0.952 32.08 0.1 95 97 94 99 355 42.2 2.821 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4355 1681.4 8.1 scans 58% 57 m/z (94) 0.77% 0.0230% 4836 1.1 170 75907 3989615 3645172 1-2 19: 57 71 85 56 197 43 41 196 55 99 113 141 111 70 160 168 127 42 83 0.950 32.44 -0.3 94 99 96 98 226 6.4 0.140 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1122 ? Longipinocarvone 32.5547 1686.4 8.5 scans 68% 134 m/z 0.82% 0.0462% 4857 1.1 258 70954 8006968 7255605 3-1 20: 134 69 91 135 79 41 93 107 77 133 92 105 67 175 119 109 108 39 95 147 0.909 32.60 430.2 78 99 92 98 218 11.8 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6610 1690.9 8.9 scans 65% 205 m/z (153) 1.8% 0.0364% 4875 1.3 203 31074 6300153 5753497 1-4 13: 205 159 93 146 119 202 135 120 162 177 160 92 132 0.967 32.67 -0.6 95 97 95 99 220 11.9 0.345 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1120 ?? Caryophyllene oxide 32.8428 1698.5 10.1 scans 32% 79 m/z (149) 3.3% 0.0184% 4905 1.6 132 17436 0.0207% 3187891 3000541 3580343 1-0 20: 79 96 91 93 95 67 94 106 82 107 110 120 109 187 77 220 54 135 68 133 0.736 32.87 438.2 60 88 76 86 206 8.7 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8617 1699.3 7.6 scans 28% 70 m/z (149) 0.87% 0.0141% 4908 1.0 133 66996 2441232 2043362 9-6 2: 70 224 0.753 32.87 -0.2 76 87 77 86 186 3.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9308 1702.2 8.2 scans 29% 71 m/z (149) 0.35% 0.0181% 4920 0.6 143 165586 3138687 2800727 2-2 10: 71 43 124 159 243 155 72 173 143 89 0.556 32.93 -0.1 90 97 91 99 243 21.4 2.242 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0813 1708.5 7.9 scans 34% 83 m/z (93) 3.8% 0.00924% 4946 1.0 105 15250 1598928 1390859 2-2 16: 83 97 69 55 57 70 56 41 112 84 67 98 82 125 68 54 0.875 33.09 -0.2 83 88 93 96 224 5.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3039 1717.9 >8 scans 70% TIC 0.52% 0.0202% 4983 1.2 197 112646 0.0498% 3507400 3122471 8613580 0-11 0.972 33.37 -2.9 84 82 93 94 226 20.6 1.099 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 33.5040 1722.7 14.7 scans 13% 85 m/z 2.9% 0.00316% 5018 1.1 63 19929 547081 506409 2-1 10: 85 84 43 94 70 141 57 71 42 169 0.535 33.90 -5.6 61 74 39 69 197 9.3 0.000 -0.392 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2720 1733.7 7.7 scans 31% 57 m/z (173) 1.0% 0.0123% 5147 1.0 131 56230 2131313 2033097 1-2 15: 57 71 85 211 210 98 212 182 127 183 181 197 58 207 141 0.847 34.27 0.1 88 94 90 95 211 24.6 3.558 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4314 1735.9 8.8 scans 91% 355 m/z 0.020% 0.983% 5174 0.9 1117 2897857 170072839 159588001 2-2 20: 355 221 147 356 357 222 402 327 207 403 283 74 148 149 75 131 339 399 329 404 0.970 34.39 452.9 81 100 98 100 415 133.4 1.427 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8305 1741.6 15.8 scans 89% 91 m/z 0.032% 0.563% 5242 0.2 654 1804772 97411811 89800146 1-2 20: 91 155 199 90 65 184 92 44 120 63 137 106 77 39 134 64 51 185 109 121 0.986 34.79 452.6 80 100 98 99 199 185.1 8.004 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 7.9 scans 36% 68 m/z (178) 1.2% 0.0173% 5254 1.2 149 46810 3006369 2764796 1-2 4: 68 69 224 154 0.726 34.90 -0.0 89 98 91 98 224 19.1 1.647 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6882 1753.9 8.8 scans 34% 123 m/z (73) 0.61% 0.0173% 5387 1.2 139 95005 3002929 2661544 4-3 9: 123 210 124 209 175 131 178 149 194 0.889 35.70 451.2 67 93 79 93 224 10.9 0.614 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9356 1757.5 9.1 scans 54% 91 m/z (85) 0.37% 0.0471% 5429 1.0 231 157856 8150855 7555697 2-4 15: 91 155 184 65 199 97 92 44 148 89 63 39 105 156 82 0.774 35.94 451.1 66 93 68 91 238 5.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1186 ?? Cotinine 36.1782 1760.9 11.2 scans 20% 98 m/z (57 71) 1.0% 0.0106% 5470 1.4 95 57320 1842234 1637137 4-3 13: 98 176 119 92 118 106 175 117 51 63 38 52 64 0.783 36.19 -88.9 63 91 77 91 176 34.9 13.579 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5973 1766.9 6.9 scans 71% 221 m/z 0.18% 0.0755% 5541 0.9 338 312240 13062974 11356571 8-3 20: 221 73 147 295 207 281 222 369 223 341 296 148 74 327 282 370 355 149 283 342 0.964 36.58 450.4 79 99 96 99 369 51.9 2.361 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3069 1777.1 8.6 scans 37% 85 m/z (203) 1.7% 0.0128% 5661 1.1 128 33910 2228749 2082615 0-1 20: 85 71 57 43 141 84 225 113 55 127 41 56 70 97 125 69 197 86 211 196 0.930 38.91 -22.9 80 86 90 87 254 2.8 0.000 -1.603 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0619 1787.9 8.6 scans 58% 57 m/z (73) 0.70% 0.0269% 5789 1.1 179 83288 4656966 4179344 1-2 20: 57 71 85 43 56 224 41 99 225 55 113 169 239 127 70 98 69 141 155 83 0.946 38.06 448.2 74 97 96 99 225 31.9 3.157 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.6694 1796.6 7.9 scans 92% 73 m/z 0.024% 0.672% 5892 0.9 969 2404684 116389732 108707752 2-2 20: 73 429 147 221 355 430 281 341 431 207 401 222 357 74 148 342 282 295 267 325 0.990 38.59 448.5 80 100 98 100 429 284.0 8.596 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8223 1798.7 14.1 scans 39% 71 m/z (95 139) 1.2% 0.0244% 5918 1.9 136 46047 4227300 3868859 1-2 19: 71 85 43 126 239 240 181 113 55 212 99 84 211 238 86 141 58 128 183 0.878 36.21 -52.2 64 83 85 82 240 13.4 0.970 2.611 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N479_R~1-N1176 ? Neophytadiene 39.9398 1927.7 6.8 scans 0.0089% 248 m/z 15% 0.000145% 6107 0.2 16 3805 0.000206% 25070 22928 35630 2-0 2: 248 233 0.535 39.94 0.7 72 100 100 100 278 10.6 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1018 ?? Neophytadiene 40.1429 1952.8 >19 scans 91% 95 m/z (58) 0.012% 6.33% 6142 0.1 1903 4600324 1095055562 1001684835 1-3 20: 95 68 82 123 83 81 69 97 67 57 55 43 41 109 96 124 71 111 79 137 1.000 39.94 583.7 68 89 98 89 278 0.0 0.000 0.207 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4356 1989.1 7.3 scans 41% 149 m/z (81) 0.18% 0.0241% 6191 1.0 184 315203 4184047 3809579 2-7 8: 149 150 104 76 167 205 50 132 0.949 40.31 614.2 76 98 95 98 223 38.8 4.428 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N406_R~1-N1110 Phytol 40.4693 1993.3 7.6 scans 47% 81 m/z (259) 1.0% 0.0319% 6197 1.0 210 56122 5525514 5022891 2-1 20: 81 82 95 68 123 67 69 55 79 109 83 96 124 43 97 71 110 278 137 53 0.977 40.66 -23.9 90 94 94 93 278 20.6 0.964 -0.193 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6275 2012.9 7.3 scans 54% 221 m/z 0.25% 0.0550% 6224 1.0 287 228212 9516410 9106856 1-10 20: 221 73 147 295 207 281 222 369 223 296 148 282 355 370 74 208 149 283 341 267 0.854 40.63 632.8 74 93 92 99 369 47.1 2.685 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1254 Phytol 40.9227 2049.5 8.0 scans 69% 82 m/z (239) 0.83% 0.0442% 6274 1.1 236 70138 7650807 6930327 2-1 20: 82 81 95 68 123 57 43 79 69 71 83 67 96 55 41 97 124 278 109 111 0.986 40.87 6.8 96 99 98 98 278 30.1 1.627 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1144 Sclareoloxide 41.2922 2095.3 21.8 scans 94% TIC 0.022% 4.46% 6336 0.2 1657 2635738 772029772 726385269 0-8 0.999 41.13 707.5 80 99 99 99 262 359.7 4.712 0.163 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N407_R~1-N1146 ?? Methyl-b-ionone 41.3371 2100.9 >7 scans 38% 191 m/z (262) 0.17% 0.0386% 6344 3.2 237 342096 6688565 6209033 0-2 12: 191 119 80 192 187 190 128 147 193 103 173 253 0.937 41.29 710.5 69 92 73 91 229 16.4 0.000 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.5000 2120.0 9.3 scans 83% 205 m/z 0.16% 0.246% 6372 0.6 549 358292 42706538 40932008 2-1 20: 205 57 217 175 189 177 220 55 232 91 41 261 191 203 192 77 135 109 161 206 0.962 41.49 -76.6 86 100 96 100 276 35.9 0.426 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1260 ? Diterpene 42.4min 41.8849 2141.6 9.8 scans 8.3% TIC 1.0% 0.0117% 6437 0.5 117 55412 2040394 1823477 2-2 0.125 42.40 -28.8 77 91 14 83 272 46.9 0.000 -0.514 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0597 2151.4 8.2 scans 89% TIC 0.039% 0.333% 6466 1.0 681 1494157 57733145 53355368 3-1 0.983 42.01 749.4 79 99 97 98 272 16.2 0.056 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2917 2164.4 12.4 scans 95% 257 m/z 0.045% 2.05% 6506 0.3 1357 1281672 355110542 340925488 2-1 20: 257 93 95 69 91 79 41 109 137 67 55 105 119 133 77 161 135 149 97 175 0.997 42.05 13.8 79 78 85 80 272 82.7 0.372 0.247 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3749 2169.1 7.8 scans 70% 73 m/z 0.13% 0.100% 6520 1.0 376 430968 17297900 16194828 1-4 20: 73 147 281 221 355 429 503 341 207 282 222 430 283 74 356 415 504 148 295 505 0.966 42.37 760.1 74 91 91 98 503 62.2 2.743 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 42.7102 2187.9 13.6 scans 44% 91 m/z 0.12% 0.481% 6577 0.5 643 487110 83338421 79304591 1-2 20: 91 81 95 272 123 105 93 79 121 133 119 107 41 69 55 148 109 67 117 92 0.520 43.15 -24.9 80 85 52 81 272 137.3 0.000 -0.444 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9274 2200.1 10.1 scans 40% 148 m/z (229) 0.81% 0.0381% 6614 0.9 194 72189 6602884 5931325 3-1 4: 148 133 190 185 0.876 42.90 1.4 91 94 88 96 272 18.0 0.854 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 42.9428 2200.9 13.4 scans 38% 119 m/z (148) 1.0% 0.0437% 6616 0.6 189 56576 7559004 7182047 2-0 19: 119 120 145 131 79 107 132 55 185 255 147 77 243 272 93 41 69 81 118 0.692 42.99 -2.7 79 88 59 85 272 25.0 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4942 2231.9 >16 scans 76% TIC 0.21% 0.212% 6709 0.9 443 269718 36798999 34031741 4-0 0.951 43.44 3.2 84 83 82 92 272 32.7 0.546 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1262 Diterpene 43.6min 43.6093 2238.4 9.5 scans 86% 79 m/z (204) 0.15% 0.431% 6729 0.9 682 371245 74562596 67381833 1-4 20: 79 81 93 95 91 69 135 257 107 55 41 216 119 77 134 121 67 137 147 201 0.988 43.55 3.2 95 96 97 99 272 77.1 1.276 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N419_R~1-N1158 Manool oxide 43.8572 2252.3 11.1 scans 93% 275 m/z 0.035% 1.52% 6771 0.4 1248 1664408 263820267 245692269 3-2 20: 275 257 81 192 177 137 95 67 55 191 123 109 69 43 107 79 121 276 93 41 0.996 43.83 814.7 81 100 99 100 275 331.0 7.037 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.1535 2269.2 10.4 scans 49% 191 m/z (245) 0.80% 0.0306% 6821 0.7 180 73205 5309630 4651731 3-1 18: 191 95 192 281 355 135 69 105 107 78 81 163 91 429 371 222 341 282 0.921 44.05 5.7 79 77 89 96 272 14.8 0.683 0.101 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1238 Trachylobane 44.2805 2276.5 >11 scans 82% 79 m/z (221) 0.086% 0.826% 6843 0.6 927 675516 143025904 135087377 2-0 20: 79 91 93 81 135 119 134 95 105 107 77 121 109 41 69 201 133 92 106 147 0.998 44.15 7.2 98 99 99 99 272 114.1 1.516 0.126 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5668 2293.0 >8 scans 59% TIC 0.20% 0.109% 6891 3.5 418 286292 0.213% 18914675 17901489 36841214 0-2 0.960 44.55 0.8 91 91 88 92 272 34.8 0.692 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0627 2321.5 7.1 scans 5.9% 119 m/z 7.0% 0.000384% 6975 1.5 40 8263 66391 63960 0-1 20: 119 105 125 275 213 272 82 192 67 124 257 83 163 95 91 117 290 68 121 148 0.257 45.56 -28.9 72 85 25 80 290 7.3 0.000 -0.500 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1234 Thunbergol 45.3000 2335.2 >11 scans 92% 202 m/z 0.026% 1.96% 7015 0.1 1545 2227965 339246341 312972466 1-0 13: 202 203 204 258 112 272 273 117 214 259 167 260 168 0.998 44.90 23.0 84 84 90 85 272 94.3 0.373 0.399 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7888 2363.3 7.6 scans 68% TIC 0.35% 0.0696% 7098 1.0 363 164851 12052201 11596664 0-1 0.914 45.78 0.7 84 82 47 89 503 22.7 0.391 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 46.0509 2378.4 13.7 scans 85% TIC 0.019% 1.72% 7142 0.4 1208 3082152 298819816 290621068 1-1 0.918 45.98 898.7 79 99 95 99 204 450.4 13.893 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1554 2384.4 7.4 scans 69% 79 m/z 0.13% 0.139% 7160 0.9 490 432017 24071306 22694853 1-2 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 78 59 135 87 68 149 0.935 46.13 1.2 96 98 94 97 292 37.4 0.581 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5149 2405.1 >8 scans 74% TIC 0.19% 0.0953% 7221 1.5 397 301238 16490646 15581149 0-3 0.946 46.49 1.1 96 97 93 97 290 50.2 1.601 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7912 2421.0 7.8 scans 27% 74 m/z 0.56% 0.0160% 7268 1.0 151 103924 2776192 2603903 2-2 13: 74 87 75 298 143 255 199 59 101 129 88 267 213 0.649 46.76 925.9 70 96 62 94 298 34.0 5.071 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.9204 2428.5 8.6 scans 60% 191 m/z (71) 0.35% 0.0569% 7290 0.8 263 165828 9849915 9022201 3-2 12: 191 123 109 137 82 67 136 83 124 135 290 68 0.977 46.86 3.6 96 98 96 99 290 31.9 1.467 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1226 ?? Sclareol 47.42min 47.2935 2449.9 >7 scans 59% 195 m/z (191) 1.1% 0.0550% 7353 7.7 299 50437 9519435 8900465 0-1 2: 195 290 0.939 47.42 -7.2 67 68 77 75 290 15.4 0.264 -0.124 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.3289 2452.0 8.7 scans 79% 93 m/z (290) 0.30% 0.241% 7359 0.9 528 191788 41741024 37744313 6-2 20: 93 134 119 255 79 41 81 107 91 135 69 105 67 77 84 109 57 120 43 187 0.972 47.36 -1.5 69 67 82 85 272 27.6 0.273 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5178 2462.8 >9 scans 9.9% 223 m/z (93) 3.3% 0.00490% 7391 2.7 73 17391 0.0142% 847823 775917 2456081 0-4 8: 223 120 306 227 126 84 218 70 0.574 47.50 950.0 61 90 68 94 168 10.2 1.929 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6938 2473.0 7.5 scans 30% 221 m/z (151) 1.8% 0.00942% 7420 0.9 113 32392 1630554 1527158 2-2 15: 221 73 369 222 207 281 295 296 147 297 355 288 371 283 356 0.836 44.32 1025.7 69 90 84 98 369 23.1 4.147 3.374 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9742 2489.1 9.1 scans 90% 134 m/z 0.069% 0.407% 7468 0.9 712 839217 70555590 64896240 2-2 20: 134 119 81 84 69 95 79 43 135 55 93 41 178 121 107 123 67 148 83 137 0.993 47.95 1.5 100 100 99 99 272 70.2 0.972 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9293 2544.1 8.2 scans 3.1% 73 m/z (230) 0.64% 0.0302% 7630 1.3 189 91181 5238154 4681620 3-4 20: 73 355 429 281 356 430 357 431 295 341 282 265 267 401 223 74 415 432 342 327 0.921 48.95 993.7 68 88 87 98 429 52.0 7.544 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N419_R~1-N1164 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 49.0775 2552.6 >25 scans 96% 123 m/z 0.029% 4.45% 7655 0.3 1546 2018538 770907849 760309372 0-1 20: 123 121 109 178 91 119 133 190 193 111 41 77 57 120 207 165 147 84 58 232 0.999 48.96 1001.8 81 100 100 100 290 140.5 0.826 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BQLD_R~1-N1054 ?? Manool 49.2192 2560.8 8.3 scans 73% 137 m/z (227) 0.69% 0.0861% 7679 1.2 312 84830 14906216 12845444 3-2 20: 137 81 95 69 109 275 41 93 67 123 55 79 107 121 91 149 257 135 136 97 0.988 45.16 1097.1 62 81 89 88 272 19.1 0.377 4.060 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN N419_R~1-N1166 Pimara-7,15-dien-3-one 50.0657 2609.5 12.6 scans 89% 151 m/z 0.060% 1.25% 7822 0.4 1077 973510 1.44% 217447853 197460591 249067363 2-0 20: 151 93 107 79 91 81 55 123 119 120 43 67 80 105 121 135 109 187 95 69 0.995 49.99 1032.1 80 99 99 99 286 73.7 0.468 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1026 Tricosane 50.5887 2639.5 8.3 scans 43% 57 m/z (95) 1.9% 0.00858% 7911 1.3 102 29862 1485144 1375233 1-8 16: 57 71 43 169 41 113 70 211 127 141 56 99 58 140 84 42 0.876 50.69 -5.7 86 95 85 92 324 8.5 0.696 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8456 2711.8 8.3 scans 57% 73 m/z 1.0% 0.0132% 8124 1.3 131 54069 2292986 2106544 3-5 20: 73 147 221 281 429 355 207 222 503 295 267 356 431 341 282 357 148 283 74 223 0.836 51.86 1080.9 76 99 85 98 503 19.5 2.202 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1028 Tetracosane 52.6508 2758.2 7.7 scans 44% 57 m/z (128) 3.9% 0.00387% 8261 1.3 71 14902 670585 615424 1-9 16: 57 71 85 43 97 70 99 41 113 141 169 84 42 127 72 140 0.849 52.76 -6.3 81 90 78 85 338 5.0 0.000 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1030 Pentacosane 54.6673 2874.2 8.7 scans 78% 57 m/z (73) 0.60% 0.0347% 8602 1.4 197 96963 6016182 5377542 3-4 20: 57 71 85 43 99 55 41 69 113 83 97 70 56 127 141 155 84 111 98 183 0.959 54.79 -7.1 92 95 93 93 352 12.1 0.377 -0.123 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1034 Heptacosane 59.7749 3168.0 11.9 scans 61% 111 m/z (91) 3.1% 0.00764% 9468 1.7 79 18819 1322951 1210656 1-3 11: 111 113 55 112 127 86 154 197 169 239 79 0.815 59.97 -11.1 83 90 77 85 380 5.3 0.000 -0.192 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP2.FIN HCMIX_~1-N1038 ?? Nonacosane 65.6835 3508.2 17.6 scans 30% TIC 6.8% 0.00180% 10468 1.1 42 8595 312567 292238 1-4 0.553 65.91 -12.8 64 70 46 65 408 0.0 0.000 -0.226 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1936 773.4 >25 scans 60% 77 m/z (44) 0.42% 0.0312% 52 2.4 111 136121 4037001 3928228 0-1 12: 77 57 43 45 100 78 79 62 75 59 61 63 0.928 4.37 19.4 98 100 99 100 77 94.6 73.279 -0.177 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1016 ?? Pivalic acid 6.2072 825.9 9.2 scans 47% 57 m/z (44) 2.0% 0.00523% 393 1.0 64 28212 677112 632968 1-3 9: 57 41 39 87 59 55 38 102 68 0.863 6.03 -135.7 67 93 84 96 102 7.6 1.396 0.174 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5891 835.8 18.3 scans 60% 207 m/z 0.70% 0.0171% 458 2.6 92 81936 2215637 1895994 2-3 20: 207 209 191 193 208 133 81 177 192 103 178 117 210 149 161 87 147 179 163 115 0.730 6.53 -141.0 79 100 80 99 207 73.4 63.451 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6830 864.3 8.4 scans 84% 41 m/z (67) 1.9% 0.0209% 643 2.5 126 29357 2713470 2517853 1-3 19: 41 55 69 83 39 42 57 98 97 70 80 43 56 53 51 54 68 81 50 0.972 7.71 9.0 97 99 97 99 98 26.4 4.395 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.4440 988.2 >15 scans 29% 138 m/z (81) 3.1% 0.00491% 1449 0.8 52 18347 635500 616241 0-2 10: 138 249 207 265 96 193 191 133 68 109 0.762 12.22 41.9 88 98 80 98 281 34.7 45.315 0.224 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6742 994.2 9.6 scans 70% 81 m/z 0.40% 0.0313% 1489 2.1 155 143993 4050798 3839877 1-2 18: 81 110 53 39 79 41 67 68 77 51 95 109 50 40 63 66 52 38 0.889 13.22 30.6 93 95 85 97 110 47.6 9.412 -0.548 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1016 ?? Limonene 13.9057 1027.4 8.4 scans 60% 124 m/z 2.0% 0.0145% 1697 1.3 119 28285 1875046 1616080 1-9 19: 124 68 123 93 67 43 53 107 94 121 81 95 136 92 125 79 39 91 41 0.825 13.89 52.1 61 61 61 94 136 19.3 2.636 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.2073 1035.5 >16 scans 88% TIC 0.33% 0.0849% 1748 1.0 228 170871 0.133% 10986174 10429686 17196063 0-2 0.989 14.11 56.5 91 100 99 100 108 100.4 19.431 0.098 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4500 1042.1 10.9 scans 84% 91 m/z 0.19% 0.0621% 1789 2.0 203 302005 8041316 7244884 2-3 20: 91 92 120 65 63 39 89 51 121 62 66 90 50 74 64 93 75 38 61 86 0.969 14.44 57.3 90 99 96 99 120 65.9 10.575 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1796 1061.9 >10 scans 87% 105 m/z 0.15% 0.0877% 1913 0.8 263 371098 11343247 10210865 2-1 20: 105 77 123 46 51 50 106 78 74 75 52 63 76 64 104 67 93 37 61 39 0.980 15.17 64.5 89 100 98 100 123 93.9 12.709 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN 98-86-2 Acetophenone 15.2817 1064.6 9.1 scans 86% 105 m/z 0.033% 0.347% 1930 0.8 569 1696506 44907365 40505251 1-4 20: 105 77 120 51 106 50 78 43 74 121 76 39 75 63 65 52 91 62 38 89 0.994 15.29 -181.1 80 98 98 99 120 199.0 12.242 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4305 1068.7 8.9 scans 64% 95 m/z 0.16% 0.0896% 1955 1.6 282 341719 11597004 10702425 1-5 20: 95 81 124 43 79 53 109 39 41 65 82 96 66 67 55 51 125 52 40 54 0.908 15.43 67.0 85 97 88 97 124 85.2 9.111 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1002 ? Undecane 16.6082 1100.9 8.5 scans 27% 71 m/z 2.5% 0.00486% 2155 1.0 74 22262 629342 542338 8-0 15: 71 43 57 55 85 67 111 95 112 94 68 156 92 65 84 0.511 16.59 0.9 71 90 64 87 156 7.4 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1016 ?? Nonanal 16.7818 1108.2 9.2 scans 69% 57 m/z (114 150) 1.3% 0.0336% 2184 1.0 155 41762 4353228 3858356 3-3 16: 57 41 69 56 98 55 70 44 68 95 82 42 96 99 45 125 0.825 16.82 85.8 67 93 87 93 124 12.4 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1004 ? Blank_Nonanal 16.7818 1108.2 9.2 scans 58% 57 m/z (150) 1.3% 0.0285% 2184 1.0 143 41619 3694656 3274650 3-3 16: 57 41 69 56 98 55 70 44 68 95 82 42 96 99 45 125 0.826 16.82 -183.2 71 95 83 94 124 5.1 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9630 1115.9 9.2 scans 70% 71 m/z 0.34% 0.0617% 2215 1.4 229 168970 7978891 7283523 2-5 20: 71 95 43 110 58 128 41 85 55 84 69 57 126 72 39 70 113 120 111 42 0.839 16.97 91.2 80 99 94 99 128 55.1 5.813 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.1141 1122.3 >17 scans 74% TIC 0.42% 0.0376% 2241 0.8 146 134288 4861504 4033559 3-3 0.947 17.05 96.3 78 98 92 98 122 50.5 11.908 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0876 1163.4 10.1 scans 70% 73 m/z 0.74% 0.0233% 2405 1.5 138 76949 3016097 2839727 3-2 20: 73 355 267 251 356 269 74 193 170 237 358 339 162 253 223 325 252 268 154 281 0.905 18.13 -168.3 79 99 86 98 355 60.7 19.248 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3969 1176.5 7.6 scans 8.4% 281 m/z (125) 15% 0.000331% 2458 1.1 18 3787 42861 42861 0-0 2: 281 282 0.240 12.25 23.4 73 93 37 89 281 15.8 74.776 6.146 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN M4942-N1002 ? Pyranone 18.5327 1182.2 11.5 scans 61% 43 m/z (41) 1.1% 0.0234% 2481 0.9 125 49486 3034258 2774839 3-4 17: 43 44 72 144 73 55 45 56 101 42 71 115 111 113 100 108 60 0.909 20.04 -208.3 75 99 92 98 144 53.7 18.337 -1.509 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7051 1189.5 8.5 scans 57% 55 m/z 2.3% 0.0134% 2510 1.1 119 24841 1743458 1575333 2-0 19: 55 98 69 111 82 43 41 70 125 67 39 95 97 107 83 126 84 80 53 0.853 18.71 138.7 77 100 90 99 153 4.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1201 1207.0 8.8 scans 54% 82 m/z 1.1% 0.00941% 2581 1.6 93 48390 1217428 1004374 2-10 11: 82 81 43 54 53 97 83 55 38 71 68 0.842 19.12 149.9 78 100 87 99 97 15.0 2.624 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2488 1212.4 9.1 scans 25% 119 m/z (65) 4.0% 0.00287% 2602 1.1 48 14156 371411 320109 9-1 4: 119 134 87 120 0.902 13.76 12.9 76 79 68 80 134 20.3 17.878 5.492 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8297 1237.0 10.5 scans 59% 57 m/z (43) 0.98% 0.0207% 2701 0.8 121 58590 2689004 2467461 2-5 16: 57 45 75 100 87 89 59 72 73 101 44 88 62 131 132 76 0.971 19.81 169.5 76 99 98 99 144 3.2 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3043 1257.0 9.5 scans 27% 57 m/z (123) 5.6% 0.00283% 2782 1.5 48 10206 366003 353245 2-1 3: 57 85 56 0.768 20.32 -0.7 81 91 76 93 170 6.6 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1034 ? Decanal 20.5274 1263.9 8.5 scans 64% TIC 2.3% 0.0140% 2819 0.8 121 24957 1811420 1678566 2-0 0.868 20.57 -143.1 76 98 87 97 138 6.3 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5286 1264.0 8.4 scans 65% 57 m/z 2.4% 0.0150% 2819 1.1 122 23919 1941241 1707744 4-2 18: 57 41 55 82 70 71 83 68 67 112 56 44 81 69 96 84 42 54 0.925 20.56 185.3 77 99 94 98 128 11.0 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 20.8940 1274.9 17.7 scans 49% 60 m/z (137) 1.8% 0.0241% 2880 0.9 107 30327 3119231 2791971 2-1 12: 60 73 101 85 41 55 115 74 70 56 39 84 0.866 22.03 -34.2 71 76 76 82 175 0.0 0.000 -1.140 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.0906 1280.8 9.1 scans 77% TIC 0.053% 0.158% 2914 0.8 420 1082873 20448393 19392381 1-1 0.957 20.98 195.8 79 98 94 99 152 0.0 0.000 0.108 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.5145 1293.5 >16 scans 51% 122 m/z (71) 1.4% 0.0192% 2986 0.7 102 38988 2492777 2331011 1-1 14: 122 77 38 65 131 43 39 76 129 75 80 57 56 121 0.900 20.03 222.8 67 89 78 96 122 44.1 18.890 1.485 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0086 1308.4 7.9 scans 9.8% 175 m/z (88) 2.7% 0.00243% 3069 1.2 49 20718 314164 301150 1-2 3: 175 190 176 0.754 22.01 208.0 64 92 63 94 190 15.0 9.520 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9241 1335.9 10.8 scans 56% 43 m/z 0.27% 0.0763% 3225 0.9 240 212001 9867244 8808772 3-5 18: 43 69 109 86 66 137 41 110 39 65 67 128 95 40 56 58 53 94 0.721 22.91 222.3 69 94 82 93 127 35.3 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1006 ?? Tridecane 23.7093 1359.4 7.3 scans 20% 85 m/z (142) 10% 0.00162% 3357 0.7 44 5541 210246 210246 0-0 9: 85 57 111 43 70 113 127 86 99 0.882 23.86 -4.6 68 76 71 74 184 0.0 0.000 -0.153 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1016 ? Nicotine 24.0564 1370.5 16.4 scans 74% 60 m/z (341) 0.17% 0.224% 3417 0.1 381 337587 0.320% 28972169 28478221 41373985 1-0 20: 60 73 57 55 115 129 41 43 98 61 69 87 45 56 39 101 42 83 74 84 0.971 25.35 221.3 74 94 93 99 162 0.0 0.000 -1.298 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 24.0564 1370.5 16.4 scans 71% 60 m/z 0.16% 0.177% 3417 0.1 373 353191 0.253% 22960102 22568654 32711307 1-0 20: 60 73 57 55 115 129 41 43 98 61 69 87 45 56 39 101 42 83 74 84 0.931 22.70 -104.8 76 95 94 98 158 27.2 0.531 1.360 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1048 1372.1 >9 scans 76% TIC 0.21% 0.0683% 3425 1.3 271 263677 8832255 8273727 0-5 0.966 24.17 -151.7 80 100 96 100 429 79.2 8.563 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.8634 1397.4 11.9 scans 50% 83 m/z (71) 1.0% 0.0266% 3554 1.1 131 53016 3446900 3134946 4-4 14: 83 43 142 82 58 56 113 39 128 127 86 114 100 38 0.965 24.70 257.8 69 91 90 95 170 4.6 0.000 0.167 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2560 1410.6 6.9 scans 41% 43 m/z 0.67% 0.00772% 3620 1.0 99 85071 998961 932646 3-0 13: 43 103 145 116 115 86 73 44 146 74 61 96 104 0.896 25.24 -149.3 77 99 92 98 145 36.3 13.527 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1004 Nicotine 25.5966 1421.9 >22 scans 92% 133 m/z 0.0083% 6.06% 3678 0.1 1582 6940037 783657785 759560436 0-2 20: 133 42 119 92 118 117 51 82 65 78 77 39 91 63 55 120 160 52 159 41 0.998 25.89 264.9 80 99 99 99 162 455.8 8.300 -0.295 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7843 1428.2 7.6 scans 38% 93 m/z (85) 1.2% 0.0141% 3709 1.0 120 44661 1825182 1677367 5-2 6: 93 121 136 194 94 160 0.844 25.78 272.9 67 90 90 98 194 17.3 2.077 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0931 1471.9 6.6 scans 32% 221 m/z (168) 3.5% 0.00390% 3931 0.9 69 16321 504374 472842 1-1 18: 221 73 147 281 267 222 355 223 357 282 207 443 356 74 205 283 90 444 0.830 27.12 297.0 72 96 82 94 355 14.2 4.259 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.8 scans 61% 57 m/z (163) 0.91% 0.0189% 3944 1.0 137 63093 0.0297% 2450544 2280877 3840023 2-0 18: 57 71 85 43 41 70 198 56 99 55 98 84 169 127 112 42 113 126 0.976 27.21 -1.3 94 97 95 97 198 16.0 1.368 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1114 ?? Caryophyllene 27.8428 1499.6 8.8 scans 69% 93 m/z 1.0% 0.0605% 4058 1.1 245 54783 7825459 7196522 2-1 20: 93 107 133 91 79 69 41 135 121 57 43 81 55 105 77 120 67 161 106 168 0.869 27.84 314.2 65 83 73 95 204 16.1 0.432 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9373 1503.2 9.6 scans 78% 118 m/z 0.094% 0.182% 4074 1.4 391 611543 23630798 21172777 2-3 20: 118 146 145 105 78 51 119 104 147 65 117 42 63 91 41 39 77 64 50 76 0.955 27.93 316.5 79 98 93 98 146 173.1 19.576 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3806 1519.8 8.4 scans 37% 80 m/z 0.72% 0.0113% 4149 1.2 108 79420 1466758 1381148 2-2 14: 80 171 170 104 53 172 91 78 65 51 102 103 165 167 0.805 28.39 326.4 72 94 76 93 171 52.4 23.590 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6569 1530.2 7.8 scans 73% 43 m/z (166) 0.17% 0.107% 4196 1.1 313 335722 13952544 12110835 8-8 17: 43 69 41 136 151 107 67 125 93 109 83 53 121 39 68 108 161 0.978 28.67 332.8 76 99 97 98 194 21.3 0.461 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN GLAU_R~1-N1084 ?? Pentadecane 28.7572 1534.0 10.0 scans 40% 57 m/z (196) 1.7% 0.0137% 4213 1.2 105 33853 1773570 1619786 0-1 19: 57 85 71 113 43 99 183 70 56 169 84 127 86 155 41 211 72 114 58 0.935 24.54 396.7 66 90 91 93 169 14.1 1.799 4.215 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0919 1546.6 7.8 scans 68% 71 m/z (165) 0.38% 0.0592% 4270 1.2 240 148641 0.0811% 7657440 7353499 10485719 1-0 19: 71 57 43 85 41 70 141 56 55 113 99 112 84 183 97 42 72 155 160 0.961 29.10 342.7 72 96 94 96 227 5.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5146 1562.5 7.3 scans 68% 73 m/z 0.13% 0.128% 4341 1.0 382 424113 16578596 15823547 2-2 20: 73 281 147 327 282 415 503 341 283 399 221 328 148 504 416 329 74 342 325 505 0.963 29.61 -150.6 79 99 95 99 503 65.6 2.955 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7714 1572.1 8.2 scans 84% TIC 0.032% 0.258% 4385 1.0 512 1794057 33433115 30123311 1-3 0.973 29.77 358.1 78 98 96 98 193 42.2 0.678 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9408 1578.5 9.3 scans 75% TIC 0.28% 0.0606% 4413 0.7 262 199953 7841038 7361466 1-0 0.935 29.94 362.1 77 97 92 99 254 7.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.1681 1587.0 7.6 scans 45% 57 m/z (165) 1.0% 0.0208% 4452 1.1 148 56174 0.0314% 2694922 2694922 4059822 0-0 20: 57 85 71 43 99 41 55 84 113 56 69 70 127 169 98 155 183 112 83 197 0.963 30.38 -7.9 78 81 91 82 212 0.0 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5129 1600.6 8.2 scans 84% 191 m/z 0.038% 0.212% 4510 1.0 466 1478969 27485019 26392374 1-3 20: 191 206 192 57 163 74 175 91 115 41 107 207 77 147 88 128 161 105 117 121 0.970 30.50 375.8 80 100 97 99 206 125.4 7.259 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8340 1614.1 8.3 scans 33% 124 m/z (139) 0.95% 0.0154% 4565 0.9 120 60288 1996091 1885621 1-3 4: 124 137 180 138 0.968 30.81 384.7 71 94 84 94 180 34.5 8.252 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8924 1616.6 9.3 scans 50% 162 m/z (171) 0.48% 0.0426% 4575 1.1 185 118036 5508571 4924367 3-2 18: 162 147 161 91 163 77 119 51 133 115 145 103 204 78 131 195 63 50 0.824 30.88 0.6 88 93 69 92 204 15.5 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9326 1618.2 9.1 scans 14% 171 m/z (162) 1.5% 0.00719% 4581 1.4 75 36836 930799 851813 2-2 6: 171 172 173 156 130 142 0.786 30.93 0.2 91 98 81 97 171 49.2 42.882 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2419 1631.2 11.1 scans 82% TIC 0.050% 0.484% 4634 0.5 613 1131582 0.582% 62661854 56841609 75248935 3-0 0.955 31.18 396.2 77 97 94 98 180 134.9 4.838 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3252 1634.7 10.2 scans 70% 71 m/z 0.56% 0.115% 4647 1.2 333 101839 14878567 12836513 1-7 20: 71 69 57 85 95 194 55 161 41 43 109 81 123 179 67 136 111 176 97 99 0.934 31.35 397.2 68 85 76 97 194 57.8 3.003 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5082 1642.4 9.3 scans 56% 43 m/z (105) 0.81% 0.0263% 4678 1.4 150 70276 3401089 3212316 1-1 19: 43 98 166 111 85 55 151 127 82 41 123 68 69 126 99 83 58 84 59 0.954 31.52 -0.3 93 97 94 97 166 26.7 3.176 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9131 1659.5 8.6 scans 36% 71 m/z (134) 2.0% 0.0179% 4748 0.6 118 28563 2327220 2173797 1-1 19: 71 83 57 85 55 43 99 113 41 70 219 69 110 86 183 155 112 67 126 0.783 31.92 -0.2 76 88 79 88 219 2.7 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0642 1665.8 6.6 scans 61% 221 m/z (57) 0.42% 0.0349% 4773 1.0 203 137037 4516685 4263317 2-1 20: 221 73 147 207 222 295 341 223 355 281 148 267 74 356 208 342 343 297 209 149 0.925 32.08 -0.6 95 97 95 99 355 33.5 2.705 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2337 1672.9 8.7 scans 47% 57 m/z 0.70% 0.0305% 4802 0.9 184 82142 3950203 3537188 2-1 19: 57 71 43 85 41 77 55 56 183 99 113 100 70 182 69 42 98 127 92 0.646 32.24 -0.2 80 89 81 88 226 7.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 10.0 scans 49% 85 m/z (175) 1.0% 0.0271% 4836 0.9 147 55932 3507004 3358428 0-1 17: 85 57 71 56 197 43 41 196 113 99 84 142 109 86 149 159 160 0.914 32.44 -0.3 87 93 88 93 226 4.8 0.106 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1122 ?? Longipinocarvone 32.5607 1686.7 7.9 scans 59% 134 m/z (83) 1.8% 0.0353% 4857 1.0 190 30332 4568155 4358749 1-1 19: 134 71 91 85 57 79 135 41 133 93 77 43 92 175 107 105 108 67 119 0.968 32.60 430.5 66 86 79 97 218 7.4 0.152 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6664 1691.1 8.7 scans 52% 205 m/z (171) 2.8% 0.0298% 4876 1.1 161 20191 3864546 3480479 1-4 4: 205 119 146 150 0.897 32.67 -0.4 91 95 89 96 220 10.0 0.386 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8630 1699.4 7.8 scans 20% 70 m/z (149) 1.7% 0.0104% 4908 1.4 96 33814 1355687 1214629 11-2 3: 70 224 201 0.731 32.87 -0.1 70 85 72 84 186 5.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9285 1702.1 7.8 scans 36% 71 m/z 0.27% 0.0216% 4920 0.8 153 212126 2805002 2550727 3-4 9: 71 43 159 111 243 72 173 155 143 0.906 32.93 -0.2 95 95 88 94 243 25.7 2.822 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0861 1708.7 7.6 scans 34% 83 m/z (167) 4.8% 0.00935% 4946 1.0 99 11759 1210055 1131036 1-1 20: 83 97 57 56 55 41 111 69 70 43 84 85 151 109 140 110 125 98 67 54 0.857 33.09 0.0 80 84 91 96 224 4.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.4 scans 64% 57 m/z (165) 0.44% 0.0405% 4984 0.8 205 129610 5245317 4994239 4-1 15: 57 71 43 85 41 99 55 56 70 113 42 98 112 58 141 0.969 33.37 -2.8 93 98 96 97 226 24.0 1.371 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2709 1733.6 8.4 scans 13% 57 m/z (173) 3.0% 0.00476% 5147 1.0 69 19123 616087 582459 0-2 19: 57 71 196 210 85 211 98 123 182 78 184 43 183 58 70 127 105 197 41 0.818 34.27 0.0 76 84 62 84 211 15.1 4.856 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4350 1736.0 15.2 scans 96% 73 m/z 0.011% 3.78% 5175 0.3 1476 5133747 489079153 461041731 2-2 20: 73 147 221 356 222 282 207 149 133 191 131 45 251 117 268 249 193 329 208 326 0.994 34.39 453.0 81 100 98 100 415 176.7 1.436 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.8612 1742.1 18.4 scans 90% 91 m/z 0.028% 0.934% 5247 0.2 689 1991052 120881348 118421429 0-1 20: 91 155 199 90 65 184 89 120 92 44 137 63 106 77 39 51 64 200 134 107 0.992 34.79 453.1 79 99 98 99 199 195.5 8.046 0.075 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9049 1742.7 7.9 scans 24% 68 m/z (71 91) 2.5% 0.0135% 5254 1.0 109 22973 1751222 1495750 3-4 2: 68 224 0.867 34.90 0.0 78 83 81 93 224 13.2 1.479 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1098 1745.6 19.8 scans 26% 85 m/z (132 124) 1.6% 0.0119% 5289 1.3 115 34524 0.0502% 1543516 1543516 6490544 0-0 20: 85 57 71 43 84 197 41 56 55 70 69 170 83 111 113 42 72 127 155 153 0.872 33.90 17.3 79 88 86 92 197 18.2 2.525 1.214 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7036 1754.1 8.8 scans 61% 123 m/z (168) 0.18% 0.0817% 5390 0.9 265 311864 10572238 9797469 2-3 18: 123 43 193 124 109 125 121 91 105 79 95 77 175 194 131 195 149 53 0.973 35.70 451.4 72 94 92 94 224 15.7 0.352 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1186 ?? Cotinine 36.1842 1761.0 10.9 scans 27% 98 m/z (71) 0.83% 0.0233% 5471 1.5 121 69178 3019583 2599691 4-4 13: 98 176 118 119 175 80 117 461 121 63 177 50 146 0.877 36.19 -88.8 66 87 79 92 176 41.3 11.709 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5390 1766.1 7.1 scans 28% 221 m/z 0.23% 0.0764% 5531 1.0 299 245035 9890671 9122944 2-3 20: 221 73 147 207 295 222 281 369 223 296 341 148 74 208 297 282 327 355 343 370 0.932 36.58 449.6 77 98 93 99 369 46.3 2.395 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2107 1775.7 9.0 scans 12% 224 m/z (169) 2.3% 0.00686% 5645 0.7 78 24010 887195 865322 2-0 14: 224 115 210 167 166 51 184 183 78 179 103 142 182 189 0.765 37.20 449.4 68 95 78 97 224 25.9 10.927 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3040 1777.0 8.1 scans 52% 71 m/z (115) 0.66% 0.0429% 5661 1.1 198 87251 0.0565% 5555282 5293904 7305094 0-1 20: 71 85 57 43 99 113 127 41 155 55 69 169 84 70 126 141 205 56 111 112 0.973 38.91 -23.0 80 85 94 85 254 2.6 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0673 1787.9 8.9 scans 44% 57 m/z 0.72% 0.0216% 5790 0.9 160 79193 2799662 2621339 1-1 20: 57 71 85 43 56 41 99 55 113 224 225 70 155 127 69 141 239 97 83 197 0.856 38.06 448.2 73 95 84 93 225 30.0 3.516 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.6435 1796.2 15.5 scans 84% TIC 0.014% 2.53% 5888 0.3 1339 3908273 3.18% 327844513 312285738 411153976 2-0 0.998 38.59 448.1 80 99 98 99 429 404.8 9.154 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.6612 1796.4 14.8 scans 46% 221 m/z (429) 0.020% 0.567% 5891 1.6 992 2771828 1.70% 73401074 71881708 219799295 0-1 20: 221 147 281 207 295 267 325 283 208 296 358 279 326 209 268 193 297 269 477 192 0.882 32.10 547.6 62 88 69 86 355 174.3 0.000 6.559 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.9062 1923.5 19.2 scans 96% 68 m/z 0.020% 4.77% 6102 0.2 1557 2849504 4.94% 617010531 617010531 638710894 0-0 20: 68 95 82 55 69 81 83 57 41 43 96 124 111 79 137 56 85 94 53 39 0.997 39.94 554.4 81 100 100 100 278 99.3 0.406 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9629 1930.5 6.1 scans 74% TIC 0.19% 0.0991% 6111 1.3 384 290757 12819348 11322564 0-10 0.962 39.88 562.2 76 96 93 96 250 39.7 1.070 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1146 ?? Methyl-b-ionone 40.1848 1958.1 9.6 scans 24% 191 m/z (141) 1.3% 0.0125% 6149 0.8 99 42641 1627257 1417563 5-2 10: 191 192 121 135 176 161 107 260 189 122 0.810 41.29 567.7 68 94 79 95 229 6.8 0.466 -1.106 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3548 1979.1 9.5 scans 66% TIC 0.081% 0.0810% 6178 0.9 286 703034 0.105% 10473418 9545573 13575839 4-0 0.968 40.31 604.2 78 98 96 98 223 61.8 4.665 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N406_R~1-N1110 Phytol 40.4216 1987.4 8.4 scans 34% 82 m/z (274) 1.3% 0.0300% 6189 1.5 156 43325 3884018 3486273 4-2 11: 82 81 95 123 79 96 109 110 222 94 80 0.899 40.66 -29.8 84 91 83 89 278 19.9 1.628 -0.240 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5992 2009.4 7.6 scans 57% 221 m/z 0.36% 0.0513% 6219 1.1 234 156436 6634316 6136200 3-3 20: 221 73 147 295 207 281 222 369 296 223 148 282 370 74 355 297 208 283 209 267 0.939 40.63 629.3 73 92 91 98 369 38.7 2.724 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1254 Phytol 40.8891 2045.4 >8 scans 45% TIC 1.6% 0.0127% 6268 0.9 163 35466 1643627 1565071 1-0 0.880 40.87 2.7 85 90 81 89 278 18.3 1.269 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1256 ?? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2462 2089.6 19.9 scans 55% 95 m/z (191) 0.026% 3.25% 6329 0.2 1211 2191410 420741866 391010671 0-7 20: 95 81 69 93 41 55 79 67 135 136 77 244 53 108 80 94 138 134 120 92 0.902 41.26 -1.4 64 73 72 72 264 16.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N407_R~1-N1144 Sclareoloxide 41.2462 2089.6 19.9 scans 95% 95 m/z 0.023% 5.28% 6329 0.2 1589 2463296 683181223 634905081 0-7 20: 95 81 69 93 41 55 79 67 135 136 77 244 53 108 80 94 138 134 120 92 0.998 41.13 701.8 80 99 99 99 262 341.1 4.609 0.117 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4564 2115.7 8.3 scans 63% 205 m/z (58) 0.54% 0.0982% 6364 0.9 303 106613 12706457 11554100 2-3 17: 205 217 175 189 220 177 232 91 261 191 192 203 135 77 161 233 67 0.953 41.49 -80.9 81 99 95 99 276 20.5 0.458 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1260 ? Diterpene 42.4min 41.8224 2138.1 13.4 scans 3.1% TIC 2.6% 0.00396% 6426 1.0 58 22031 0.00439% 513103 488391 567599 0-1 0.057 42.40 -32.3 79 95 9 86 272 39.4 0.000 -0.577 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0255 2149.5 8.2 scans 83% TIC 0.060% 0.286% 6461 1.0 543 952322 36990129 33963921 6-3 0.952 42.01 747.5 79 98 95 98 272 15.5 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2386 2161.4 11.0 scans 93% 257 m/z 0.056% 1.86% 6497 0.4 1207 1021178 240949729 229523119 2-1 20: 257 81 93 95 69 79 91 41 109 137 67 55 107 123 119 105 121 133 77 161 0.992 42.05 10.8 79 78 85 80 272 71.6 0.352 0.194 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3383 2167.0 8.6 scans 85% 73 m/z 0.041% 0.567% 6514 1.0 725 1378933 73354562 69080346 1-3 20: 73 147 281 221 429 503 341 207 282 222 356 504 430 415 148 74 431 505 357 327 0.978 42.37 758.0 74 91 92 98 503 121.4 2.808 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 42.6536 2184.7 14.5 scans 29% TIC 0.25% 0.226% 6567 1.1 378 228400 29245867 27059073 3-2 0.367 43.15 -28.1 76 84 37 79 272 92.8 0.000 -0.500 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8944 2198.2 10.7 scans 29% 148 m/z (191) 1.6% 0.0261% 6608 0.8 136 34020 3375159 3007801 3-1 4: 148 133 106 190 0.848 42.90 -0.5 89 95 85 95 272 13.8 1.035 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4600 2230.0 >15 scans 64% 191 m/z (85) 0.47% 0.150% 6703 0.8 296 120119 19486673 18599787 2-0 20: 191 119 189 121 107 105 192 81 93 136 80 41 71 79 91 134 55 190 69 175 0.981 43.44 1.3 83 81 83 92 272 21.4 0.521 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5674 2236.0 9.2 scans 85% 79 m/z (204) 0.20% 0.422% 6722 0.8 584 277753 54579683 49732497 1-3 20: 79 81 95 93 91 135 257 105 107 55 109 119 216 134 77 121 67 201 147 53 0.985 43.55 0.8 97 99 98 99 272 69.4 1.412 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N419_R~1-N1158 Manool oxide 43.8042 2249.3 9.4 scans 92% 275 m/z 0.068% 0.928% 6762 0.7 906 841298 120110014 111828208 3-1 20: 275 257 81 192 177 95 137 67 55 123 69 109 107 41 79 93 276 82 135 91 0.993 43.83 811.7 81 100 99 100 275 235.3 6.746 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0769 2264.8 >10 scans 26% 109 m/z (246) 2.3% 0.0112% 6808 0.9 100 24509 1454373 1312773 1-1 18: 109 95 121 135 192 91 93 107 146 106 79 235 80 116 272 92 81 53 0.897 44.05 1.3 89 94 79 93 272 10.6 1.144 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1238 Trachylobane 44.1997 2271.9 8.4 scans 90% 79 m/z 0.10% 0.672% 6829 0.7 816 525769 86992060 80324160 2-1 20: 79 81 95 93 91 135 107 69 119 109 105 41 257 55 121 77 216 67 133 137 0.992 44.15 2.6 100 100 99 100 272 100.5 1.517 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5550 2292.3 9.2 scans 44% 191 m/z (129) 0.45% 0.0584% 6889 0.9 223 127651 0.0836% 7555468 7207565 10808954 0-1 12: 191 109 121 135 192 272 80 53 110 102 273 60 0.675 44.55 0.1 91 96 69 98 272 23.6 1.119 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9783 2316.7 9.8 scans 35% 171 m/z (286) 5.9% 0.0165% 6961 1.0 113 9612 2140977 1908328 2-3 14: 171 131 117 270 157 159 133 128 143 156 199 129 169 120 0.815 44.99 856.3 66 94 80 97 270 15.2 1.820 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1820 2328.4 >5 scans 35% 220 m/z (90) 0.16% 0.227% 6996 0.4 565 345245 0.233% 29397431 29397431 30125433 0-0 3: 220 289 263 0.426 44.90 16.2 86 89 44 89 272 59.8 0.000 0.281 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.7032 2358.4 7.7 scans 48% 191 m/z (273) 1.3% 0.0351% 7083 1.0 188 43002 4546549 4127208 1-1 17: 191 123 82 125 69 124 136 55 67 206 109 192 41 122 79 290 68 0.939 45.56 8.0 93 97 94 96 290 17.8 0.893 0.140 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7829 2363.0 7.9 scans 61% 73 m/z 0.29% 0.0680% 7097 1.1 263 198532 8803787 8268207 2-2 20: 73 355 147 221 281 356 357 207 429 222 341 282 415 283 74 295 503 148 401 430 0.951 45.78 0.4 98 98 90 98 503 25.0 0.903 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 45.9701 2373.7 10.7 scans 83% TIC 0.039% 0.929% 7129 0.5 835 1466911 120146227 113440030 2-2 0.922 45.98 894.0 79 99 94 99 204 310.7 13.851 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1283 2382.9 8.2 scans 65% 79 m/z (170) 0.31% 0.116% 7155 1.2 323 184918 0.156% 15018910 13736637 20169818 2-0 20: 79 67 108 93 80 95 94 81 91 55 41 77 78 59 87 107 74 122 68 136 0.975 46.13 -0.3 87 89 92 94 292 23.3 0.522 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4701 2402.5 9.0 scans 63% 177 m/z (281) 0.51% 0.0634% 7214 1.2 236 112097 8209558 7612406 0-3 20: 177 195 95 43 69 121 71 137 290 109 81 55 178 91 125 105 41 67 135 93 0.964 46.49 -1.5 94 97 94 97 290 31.6 1.795 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1022 ?? Henicosane 46.6330 2411.9 8.1 scans 27% 85 m/z (151) 3.3% 0.00815% 7241 1.2 90 17289 1054883 1013631 2-0 18: 85 71 57 43 99 113 127 141 70 55 69 100 112 169 83 111 58 84 0.861 46.28 20.2 67 77 83 77 296 0.0 0.000 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7741 2420.0 7.7 scans 18% 74 m/z 1.3% 0.00712% 7265 1.1 86 41190 920856 853450 2-5 12: 74 87 75 298 143 255 199 88 59 101 299 267 0.716 46.76 924.9 64 86 53 84 298 21.7 6.330 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8815 2426.2 8.6 scans 40% 191 m/z (258) 0.97% 0.0226% 7283 0.9 143 58999 2924014 2725141 2-1 9: 191 192 123 82 151 190 290 68 291 0.918 46.86 1.3 92 97 89 96 290 18.8 1.708 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2948 2450.0 9.0 scans 76% 93 m/z (97) 0.73% 0.132% 7353 1.0 335 77863 17152290 15711787 2-4 20: 93 134 119 255 41 81 79 95 107 91 69 121 135 105 133 55 67 109 77 84 0.976 47.36 -3.5 68 65 81 82 272 14.8 0.195 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6838 2472.4 7.3 scans 35% 221 m/z (177) 1.8% 0.0104% 7419 1.0 104 31256 1354171 1217944 1-4 20: 221 73 147 295 369 281 207 222 370 296 355 327 223 282 297 208 356 325 283 357 0.875 44.32 1025.1 70 93 92 97 369 22.4 4.624 3.364 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9447 2487.4 8.6 scans 84% 134 m/z 0.18% 0.186% 7463 1.0 431 311937 24173607 21993229 2-2 20: 134 119 81 84 191 95 69 79 43 55 109 135 93 41 178 121 123 107 67 105 0.960 47.95 -0.2 100 99 96 99 272 42.2 0.958 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9235 2543.8 8.4 scans 2.5% 73 m/z (286) 0.63% 0.0312% 7629 1.2 168 90607 4038932 3735529 3-4 15: 73 355 429 281 430 356 431 357 295 282 267 283 415 401 265 0.520 48.95 993.4 66 93 73 97 429 50.7 9.119 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N419_R~1-N1164 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.9743 2546.7 18.0 scans 93% 177 m/z 0.058% 0.814% 7638 2.4 1110 991846 2.48% 105365285 99891929 320648384 0-4 20: 177 69 43 71 123 107 149 192 191 122 108 125 178 119 133 164 190 134 57 175 0.999 48.96 995.9 81 100 100 100 290 95.6 0.743 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN N419_R~1-N1166 Pimara-7,15-dien-3-one 49.9979 2605.6 9.6 scans 94% 151 m/z 0.12% 0.716% 7811 0.5 780 471535 92609820 86070819 3-1 20: 151 93 71 107 79 81 91 43 119 120 105 123 67 41 95 121 109 69 94 77 0.990 49.99 1028.2 81 100 99 100 286 50.5 0.419 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1026 ?? Tricosane 50.5882 2639.5 9.0 scans 23% TIC 4.9% 0.00128% 7911 1.0 54 11610 166543 136914 2-2 0.716 50.69 -5.7 64 69 59 65 324 5.0 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8421 2711.6 8.4 scans 58% 73 m/z 1.1% 0.0164% 8124 1.3 126 50939 2128899 1969780 2-4 20: 73 147 221 355 281 429 295 430 223 207 356 503 222 325 267 74 342 504 148 369 0.808 51.86 1080.7 75 99 83 98 503 18.9 2.243 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP3.FIN HCMIX_~1-N1030 Pentacosane 54.6668 2874.2 8.8 scans 61% 57 m/z (221) 1.5% 0.0166% 8602 1.2 117 37041 2151857 1950174 3-4 20: 57 71 85 43 99 55 41 113 70 69 127 83 84 56 97 141 155 111 183 239 0.871 54.79 -7.1 88 96 83 91 352 7.9 0.452 -0.123 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 5.1675 798.8 >20 scans 43% 77 m/z (55) 0.94% 0.0137% 217 0.7 68 54205 2113767 2113767 0-0 7: 77 76 59 46 45 78 75 0.925 4.37 44.8 90 99 96 99 77 57.8 72.182 0.796 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5978 836.0 17.8 scans 72% 207 m/z 0.52% 0.0182% 459 2.6 103 97128 2814176 2620845 1-2 16: 207 96 191 133 208 97 210 192 177 134 38 211 37 117 75 45 0.834 6.53 -140.8 79 100 86 99 207 77.4 56.374 0.070 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6888 864.4 9.7 scans 92% TIC 0.52% 0.0469% 644 1.5 222 96995 0.0723% 7219930 7089643 11126659 1-0 0.988 7.71 9.1 100 100 99 100 98 44.1 3.948 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2455 983.1 10.8 scans 35% 281 m/z 0.52% 0.0163% 1416 2.1 110 97261 2520029 2312615 2-2 20: 281 43 71 282 99 283 69 191 249 193 133 265 67 39 207 284 134 42 72 73 0.418 12.22 36.8 90 99 67 99 281 77.5 49.823 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6871 994.6 16.3 scans 66% TIC 0.63% 0.0165% 1491 2.8 106 80564 2554568 2343790 5-1 0.777 13.22 31.0 92 96 78 98 110 34.5 0.000 -0.535 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1016 Limonene 13.9162 1027.6 8.4 scans 65% 68 m/z 1.1% 0.0168% 1699 1.5 131 44783 2597740 2338944 2-4 19: 68 93 67 124 121 79 136 94 92 53 107 91 123 77 41 39 81 95 80 0.781 13.89 52.3 86 99 88 98 136 26.6 4.107 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.2887 1037.7 >25 scans 86% TIC 0.14% 0.217% 1762 0.5 325 363467 33411306 30473751 1-3 0.966 14.11 58.7 91 100 99 100 108 143.3 19.434 0.180 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4652 1042.5 12.4 scans 78% 91 m/z 0.20% 0.0439% 1792 2.0 173 245256 6768111 6146819 2-2 19: 91 92 120 65 63 51 39 89 121 90 62 50 64 93 75 66 38 86 76 0.957 14.44 57.7 91 100 95 99 120 57.7 11.097 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1907 1062.2 14.5 scans 89% TIC 0.099% 0.150% 1915 2.1 295 513260 23131673 21543235 2-1 0.971 15.17 64.8 89 100 97 100 123 104.3 12.469 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN 98-86-2 ? Acetophenone 15.2627 1064.1 >11 scans 51% 121 m/z 0.39% 0.0239% 1926 999.0 153 129640 0.0854% 3682385 3463392 13142693 0-1 10: 121 46 52 86 78 61 89 63 106 107 0.867 15.29 -181.6 74 93 91 96 120 31.4 4.190 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4428 1069.0 9.5 scans 60% 95 m/z 0.30% 0.0379% 1957 1.7 186 167914 5846575 5240615 2-3 14: 95 81 124 79 43 53 109 39 82 96 66 51 125 63 0.871 15.43 67.3 87 100 88 99 124 57.9 9.688 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5278 1071.3 >8 scans 37% 57 m/z (95) 4.0% 0.00586% 1972 9.7 82 12594 901931 840518 0-1 10: 57 93 89 97 68 114 50 71 53 82 0.773 18.83 18.6 61 66 67 70 122 1.8 0.000 -3.302 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7905 1108.6 9.4 scans 69% TIC 0.75% 0.0305% 2186 1.2 185 67369 0.0415% 4701751 4270052 6386672 0-4 0.838 16.82 86.2 73 95 87 94 124 4.1 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9758 1116.4 11.0 scans 46% 71 m/z (126) 1.4% 0.0146% 2217 1.9 103 35480 2249938 2074715 1-2 14: 71 95 110 58 128 43 85 69 41 57 70 72 129 96 0.869 16.97 91.7 73 93 89 99 128 24.8 5.832 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.1801 1125.1 10.1 scans 79% 91 m/z 0.20% 0.0398% 2252 0.9 190 243352 6138594 5590930 1-6 20: 91 92 122 65 123 63 89 39 78 51 103 77 93 50 90 61 64 52 74 75 0.952 17.05 99.1 80 99 94 99 122 64.9 11.653 0.128 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN M4942-N1008 ? Phenylethyl Alcohol 17.1801 1125.1 10.1 scans 81% 91 m/z (115 85) 0.20% 0.0442% 2252 0.9 192 245368 6807591 6200241 1-6 20: 91 92 122 65 123 63 89 39 78 51 103 77 93 50 90 61 64 52 74 75 0.968 17.89 -199.1 75 98 96 99 122 66.1 11.815 -0.709 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0963 1163.8 10.2 scans 66% 73 m/z 0.66% 0.0191% 2407 1.5 133 76836 2952903 2779688 1-3 19: 73 355 267 356 357 268 269 340 154 249 59 74 358 223 339 75 191 265 179 0.859 18.13 -167.9 78 99 83 98 355 59.7 20.248 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 18.4617 1179.2 9.2 scans 15% 281 m/z (99) 17% 0.000595% 2469 1.3 24 2896 91512 84662 3-0 9: 281 96 81 85 283 123 73 95 282 0.494 12.25 26.1 73 87 28 85 281 13.4 31.989 6.211 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN M4942-N1002 ? Pyranone 18.6961 1189.1 12.5 scans 62% 144 m/z 0.49% 0.0395% 2508 1.1 177 102395 6080360 5664866 2-2 17: 144 43 101 44 72 73 55 45 69 115 42 71 41 58 53 56 54 0.951 20.04 -201.4 78 97 92 97 144 77.8 19.284 -1.346 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7102 1189.7 10.5 scans 10% 45 m/z (144) 5.8% 0.00555% 2511 0.6 68 8718 855396 789946 0-1 19: 45 98 69 111 84 82 71 58 95 56 53 67 54 65 87 127 57 112 70 0.691 18.71 138.9 60 90 63 92 153 2.9 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1311 1207.5 8.4 scans 45% 82 m/z 2.6% 0.00260% 2582 1.3 56 19621 400794 381438 1-4 10: 82 81 39 54 95 53 97 83 38 52 0.818 19.12 150.4 78 100 81 98 97 9.7 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7711 1234.5 10.9 scans 33% 119 m/z 1.0% 0.00838% 2690 1.0 85 50078 1289676 1160274 3-2 10: 119 91 134 65 135 120 81 63 121 52 0.812 13.76 35.0 74 78 69 78 134 30.5 12.953 6.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8720 1238.8 9.0 scans 83% TIC 0.27% 0.0480% 2708 1.0 226 183203 7401325 6880320 1-2 0.944 19.81 171.3 77 95 92 100 144 5.5 0.000 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1004 ?? Dodecane 20.3012 1256.9 9.1 scans 9.3% 98 m/z 8.8% 0.000331% 2781 3.5 24 5790 50960 50960 0-0 5: 98 71 94 59 56 0.475 20.32 -0.8 62 75 36 72 170 5.4 4.857 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1034 ? Decanal 20.5338 1264.1 8.4 scans 60% 57 m/z 2.4% 0.00952% 2820 0.9 106 20566 1466042 1342689 3-2 20: 57 43 41 55 70 82 71 68 56 83 67 112 44 81 39 69 96 84 42 54 0.860 20.57 -142.9 77 98 86 97 138 6.2 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9954 1278.0 8.8 scans 68% 137 m/z 1.3% 0.0178% 2898 1.1 139 36556 2750208 2493496 1-3 19: 137 152 123 109 91 81 67 93 77 121 79 95 41 119 39 53 65 107 124 0.865 21.00 192.7 69 89 75 89 155 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1006 ?? Arosol 21.1678 1283.1 10.1 scans 44% 94 m/z 0.68% 0.00779% 2927 1.0 88 74092 1199476 1153062 2-0 8: 94 138 95 107 139 51 45 68 0.904 20.98 198.1 67 87 65 87 152 0.0 0.000 0.185 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 22.5102 1323.4 7.2 scans 37% 85 m/z (97) 5.1% 0.00288% 3155 1.0 56 9819 443795 364676 2-10 11: 85 57 71 70 69 42 141 127 99 155 137 0.783 33.32 56.4 61 81 80 81 226 0.0 0.000 -10.809 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9506 1336.6 10.0 scans 65% 43 m/z (87) 1.0% 0.0196% 3229 0.6 125 50968 3027616 2704583 3-1 19: 43 69 71 57 85 41 110 127 84 70 67 99 113 55 111 56 155 39 126 0.850 22.91 223.0 68 92 91 94 127 18.2 2.101 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8479 1363.6 11.2 scans 37% TIC 3.2% 0.00362% 3381 1.4 63 15826 557883 524805 1-1 0.699 23.86 -0.4 83 91 74 87 184 7.5 1.451 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1002 Contamination 24.17min 24.1177 1372.5 7.5 scans 79% TIC 0.35% 0.0314% 3427 1.0 197 145652 4838412 4424476 2-3 0.934 24.17 -151.3 80 99 91 99 429 60.8 9.512 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 24.3815 1381.4 15.3 scans 81% TIC 0.54% 0.0557% 3472 1.1 191 94269 8581249 8089662 2-1 0.944 22.70 -93.9 78 96 93 99 158 13.1 0.467 1.686 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1016 ? Nicotine 24.3821 1381.4 15.3 scans 82% 60 m/z (53) 0.53% 0.0649% 3472 1.2 193 95475 9987854 9426406 2-3 20: 60 73 57 115 55 129 41 43 69 98 61 87 96 45 39 56 101 83 70 84 0.966 25.35 232.2 74 95 92 98 162 1.9 0.000 -0.972 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1032 ? Dodecane 24.5941 1388.5 8.8 scans 45% 71 m/z (96) 3.4% 0.00473% 3507 1.3 69 14618 729324 671042 1-1 13: 71 57 85 43 41 127 70 99 84 56 112 126 42 0.886 20.36 -11.7 71 73 86 81 170 0.0 0.000 4.236 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1030 ?? 7,10,13-Hexadecatrienoic acid, methyl ester 24.8798 1398.0 10.9 scans 44% 79 m/z (85) 3.5% 0.00904% 3557 1.5 81 14516 1391492 1245529 4-3 11: 79 67 81 95 94 66 54 77 107 137 135 0.895 41.24 8.5 66 71 67 70 264 0.0 0.000 -16.360 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.4005 1415.4 >8 scans 0.79% 125 m/z 0.84% 0.0108% 3645 0.2 112 60142 1674021 1534743 2-0 4: 125 116 48 155 0.114 25.24 -144.5 61 84 75 92 145 50.4 20.283 0.158 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1004 Nicotine 25.6437 1423.5 >21 scans 95% 161 m/z 0.0070% 5.56% 3686 0.1 1607 7261780 856980599 812178390 1-1 20: 161 162 42 119 130 82 117 65 51 120 39 105 104 77 132 159 50 41 106 52 1.000 25.89 266.5 81 100 100 100 162 468.6 8.505 -0.248 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0906 1471.8 6.5 scans 27% 221 m/z 4.4% 0.00177% 3930 1.0 50 11435 272476 250306 1-2 12: 221 73 147 281 355 222 443 282 268 148 191 356 0.748 27.12 296.9 71 94 67 91 355 11.3 5.210 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1691 1474.5 7.6 scans 63% 57 m/z (77) 1.1% 0.0112% 3944 1.2 112 45083 0.0171% 1724477 1597499 2631617 2-0 18: 57 71 85 43 41 98 55 56 70 99 198 112 42 113 154 69 127 140 0.941 27.21 -1.3 93 98 92 97 198 13.5 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N407_R~1-N1114 ? Caryophyllene 27.8462 1499.8 9.0 scans 84% TIC 0.45% 0.0874% 4059 1.0 315 111128 0.203% 13465242 13041997 31240828 1-0 0.918 27.84 314.4 71 93 83 96 204 22.9 0.531 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9241 1502.7 9.2 scans 81% 118 m/z (58) 0.095% 0.140% 4072 1.4 350 534955 0.157% 21617925 19759026 24161625 0-3 20: 118 146 145 105 78 51 104 117 119 147 63 42 65 39 64 50 41 91 76 77 0.957 27.93 316.0 77 99 92 99 146 158.3 20.459 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3852 1520.0 8.5 scans 32% 80 m/z (129) 1.6% 0.00409% 4150 0.9 66 31368 630338 610443 2-5 5: 80 171 104 170 167 0.800 28.39 326.6 70 97 79 95 171 32.1 23.788 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6561 1530.2 7.8 scans 79% 43 m/z (99) 0.20% 0.0689% 4196 1.1 269 249473 10617641 9238978 8-10 19: 43 69 41 136 107 151 67 125 93 109 83 121 39 53 81 68 108 79 77 0.978 28.67 332.8 78 100 98 99 194 17.8 0.440 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0900 1546.5 7.6 scans 67% 71 m/z (142) 0.52% 0.0314% 4270 1.1 186 97825 0.0425% 4840197 4410584 6540567 2-0 19: 71 57 43 85 70 41 141 55 113 56 99 112 97 69 84 183 140 42 127 0.957 29.10 342.6 70 93 93 93 227 2.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1010 Contamination 29.61min 29.5139 1562.5 7.6 scans 91% TIC 0.040% 0.377% 4341 1.0 673 1258938 58081543 53857001 4-1 0.984 29.61 -150.6 80 99 97 99 503 114.6 2.898 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1022 Nicotyrine 29.6420 1567.3 10.7 scans 71% 158 m/z 0.024% 0.449% 4363 0.7 626 2091544 69105245 63800247 2-3 20: 158 157 130 159 116 117 89 156 63 90 104 78 131 143 142 51 42 103 39 62 0.909 29.68 354.7 80 99 89 99 158 359.2 32.875 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7565 1571.6 7.6 scans 59% 123 m/z 0.14% 0.0341% 4382 1.0 204 363127 5249199 4764845 1-4 10: 123 135 124 107 91 95 109 79 125 53 0.880 29.77 357.6 79 99 87 98 193 17.2 0.713 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9348 1578.3 8.9 scans 61% 71 m/z 0.45% 0.0328% 4413 0.8 183 111576 5055684 4719310 1-2 16: 71 85 57 43 99 113 41 55 70 84 155 127 126 169 112 86 0.890 29.94 361.9 74 96 89 94 254 5.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3209 1592.8 8.4 scans 51% 57 m/z (79) 0.94% 0.0164% 4478 1.0 130 53866 0.0232% 2526371 2445381 3570380 2-2 17: 57 71 43 85 41 55 56 212 99 70 42 98 140 126 113 213 97 0.948 30.38 -2.1 85 89 91 95 212 16.3 1.567 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4991 1600.0 7.9 scans 59% 191 m/z 0.20% 0.0248% 4508 1.0 171 251641 3824395 3601176 2-2 15: 191 206 192 163 175 74 115 107 73 207 88 128 147 77 143 0.870 30.50 375.2 79 99 83 98 206 49.1 8.297 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8156 1613.3 8.7 scans 48% 124 m/z (71) 1.0% 0.0132% 4561 0.9 116 47934 2041441 1903277 3-3 9: 124 137 125 138 54 82 96 139 152 0.965 30.81 383.9 76 98 96 98 180 30.2 6.796 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8764 1615.9 10.2 scans 46% 162 m/z (98) 1.1% 0.0157% 4571 1.4 116 43445 2422133 2203709 3-1 16: 162 147 161 105 119 163 77 51 145 133 103 149 79 115 134 66 0.841 30.88 -0.1 89 92 79 92 204 6.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9183 1617.6 9.0 scans 23% 171 m/z (162) 1.7% 0.00522% 4579 1.2 69 29223 0.00588% 804129 716373 904907 2-2 7: 171 172 156 130 173 94 170 0.740 30.93 -0.4 93 98 86 98 171 42.5 37.630 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1928 1629.2 9.8 scans 81% TIC 0.12% 0.124% 4626 0.8 353 392991 19088151 17963921 2-1 0.961 31.18 394.2 78 98 96 99 180 76.6 4.695 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N407_R~1-N1130 ? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3138 1634.3 8.8 scans 71% 95 m/z 0.41% 0.116% 4646 0.9 349 122598 17988929 16186779 2-3 18: 95 69 109 194 161 55 81 123 41 111 67 137 179 82 136 97 176 83 0.855 31.35 396.8 76 97 92 99 194 73.3 4.420 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5045 1642.3 8.8 scans 48% 43 m/z 0.66% 0.0137% 4678 1.2 127 77283 2119350 2008221 1-2 19: 43 98 111 166 55 151 127 85 82 59 68 41 83 67 123 69 39 99 58 0.727 31.52 -0.4 95 98 74 95 166 29.8 5.498 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9142 1659.5 9.8 scans 36% 71 m/z (152) 2.8% 0.00975% 4747 0.6 88 17739 1501760 1379873 1-1 16: 71 57 85 41 55 112 70 113 56 141 99 210 155 111 125 100 0.877 31.92 -0.2 82 93 88 91 219 3.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0771 1666.3 6.6 scans 38% 221 m/z (70) 1.4% 0.00688% 4775 1.1 94 34854 1059808 971853 2-1 20: 221 73 147 295 222 207 341 223 355 296 325 208 267 281 297 342 148 356 74 343 0.848 32.08 -0.1 94 98 87 98 355 16.4 3.009 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4295 1681.2 10.6 scans 44% 85 m/z (98) 1.7% 0.0124% 4836 1.0 103 29184 1915185 1793122 1-1 16: 85 71 56 196 43 160 141 113 99 159 128 111 145 83 42 155 0.906 32.44 -0.5 87 94 87 93 226 3.3 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N407_R~1-N1122 ? Longipinocarvone 32.5576 1686.5 8.2 scans 69% 134 m/z (138) 0.90% 0.0501% 4857 1.0 229 56614 7717438 6917650 3-2 20: 134 69 91 41 79 135 93 107 133 77 175 92 105 119 109 67 53 85 108 147 0.941 32.60 430.3 75 97 94 99 218 10.4 0.207 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6662 1691.1 9.4 scans 27% 187 m/z (139) 9.9% 0.00641% 4875 1.6 72 5130 986718 885982 1-2 13: 187 205 79 135 91 149 93 105 206 131 146 159 107 0.797 32.67 -0.4 88 95 71 92 220 5.4 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8551 1699.0 >11 scans 23% 105 m/z (149) 3.5% 0.00689% 4907 1.2 82 14529 0.0235% 1061167 996229 3616549 1-0 19: 105 55 122 222 216 83 97 69 147 80 133 94 43 68 145 151 152 186 111 0.748 32.87 -0.5 67 85 61 81 186 5.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9284 1702.1 8.0 scans 35% 71 m/z 0.23% 0.0202% 4920 1.0 156 215568 3113975 2764973 9-3 14: 71 43 124 159 111 243 56 173 155 72 143 160 139 89 0.772 32.93 -0.2 93 98 94 97 243 24.0 2.362 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0854 1708.7 7.7 scans 42% 83 m/z (91) 4.7% 0.00732% 4946 0.9 91 10810 1127773 1074681 1-1 20: 83 97 55 69 57 71 111 70 41 56 84 179 43 85 110 68 67 82 98 112 0.899 33.09 0.0 86 89 93 98 224 5.4 0.352 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3067 1718.0 7.2 scans 72% 57 m/z (79) 0.48% 0.0294% 4983 0.8 185 106002 4539270 4212627 6-1 16: 57 71 85 43 41 99 55 56 70 84 226 113 42 98 112 141 0.969 33.37 -2.8 95 98 97 98 226 20.5 1.224 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2702 1733.6 7.7 scans 18% 57 m/z (173) 3.1% 0.00292% 5147 0.8 57 16246 450060 414008 0-3 12: 57 71 85 210 141 127 183 182 98 211 58 87 0.847 34.27 0.0 79 87 67 85 211 13.4 5.454 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4154 1735.7 9.9 scans 93% 355 m/z 0.015% 1.32% 5171 0.8 1120 3207411 204363991 195384376 2-2 20: 355 73 221 147 356 357 282 222 415 267 403 283 207 74 148 223 416 149 328 133 0.992 34.39 452.7 81 100 99 100 415 137.7 1.512 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7643 1740.7 11.4 scans 86% 91 m/z 0.052% 0.263% 5230 0.4 463 969003 40624294 38955554 2-2 20: 91 155 199 90 65 184 92 89 120 44 137 63 77 39 64 51 156 134 106 78 0.984 34.79 451.7 80 99 97 99 199 131.4 8.062 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9012 1742.7 7.8 scans 29% 68 m/z (71) 2.3% 0.00896% 5254 0.9 98 22140 1380342 1278864 2-5 1: 68 0.885 34.90 -0.0 87 93 91 96 224 13.4 1.889 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1102 1745.6 10.0 scans 35% 57 m/z (220) 1.6% 0.0112% 5289 1.2 112 30997 0.0308% 1733556 1733556 4739988 0-0 18: 57 43 71 41 69 197 224 55 56 113 163 196 97 70 141 83 111 42 0.801 33.90 17.3 77 90 82 94 197 19.1 2.899 1.214 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6793 1753.8 8.7 scans 44% 123 m/z (401) 0.52% 0.0245% 5386 1.3 154 97120 3782224 3473133 2-3 8: 123 193 124 105 166 194 208 181 0.866 35.70 451.1 72 96 82 96 224 22.5 2.133 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1186 ?? Cotinine 36.1758 1760.9 12.4 scans 30% 98 m/z (71) 0.83% 0.0178% 5470 1.3 107 60971 2750285 2410984 4-2 13: 98 119 118 175 92 51 117 65 63 78 205 177 50 0.809 36.19 -88.9 61 82 68 87 176 37.9 12.566 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5837 1766.7 >9 scans 35% TIC 1.0% 0.0122% 5539 1.7 131 50916 1879479 1608578 1-2 0.835 36.58 450.2 77 98 91 98 369 20.3 2.398 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1941 1775.5 8.4 scans 45% 209 m/z 0.41% 0.0217% 5642 1.1 156 122606 3354726 3161990 2-2 18: 209 224 181 210 165 167 105 178 225 166 152 91 103 179 194 77 115 193 0.842 37.20 449.2 77 98 82 98 224 52.7 11.369 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0654 1787.9 8.7 scans 61% 57 m/z (134) 0.63% 0.0293% 5790 1.0 170 80780 4512031 4103540 2-2 20: 57 71 85 43 56 225 41 99 55 224 113 127 69 97 70 72 141 98 83 155 0.950 38.06 448.2 75 99 96 99 225 31.5 3.440 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.6421 1796.2 8.0 scans 92% TIC 0.033% 0.468% 5887 0.9 733 1537441 72032451 67500945 2-7 0.985 38.59 448.1 80 100 98 100 429 215.7 8.668 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8488 1799.1 13.7 scans 47% 57 m/z (239) 0.89% 0.0243% 5922 0.9 129 56986 3753740 3576717 1-1 17: 57 71 85 43 41 148 155 112 182 56 141 99 113 42 168 44 54 0.928 38.91 -0.9 86 93 87 91 254 13.2 1.057 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1240 ?? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 39.8293 1914.0 9.1 scans 1.3% 191 m/z 0.31% 0.0190% 6089 1.0 142 164321 2927870 2766843 1-2 15: 191 192 149 133 147 189 161 131 142 175 176 257 73 156 190 0.094 44.05 -349.5 63 90 32 86 272 5.6 0.000 -4.224 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1018 Neophytadiene 40.0330 1939.2 >22 scans 94% 68 m/z 0.014% 5.97% 6123 0.1 1685 3622724 919786324 872558048 0-3 20: 68 82 123 69 81 57 97 109 71 111 137 94 53 56 138 85 42 179 91 152 0.999 39.94 570.1 80 99 99 99 278 119.5 0.503 0.097 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0601 1942.6 >3 scans 75% TIC 0.13% 0.0620% 6128 4.4 435 387444 9555281 8880611 0-3 0.971 39.88 574.3 73 93 92 94 250 46.3 1.133 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N407_R~1-N1146 ?? Methyl-b-ionone 40.1870 1958.3 9.3 scans 32% 191 m/z (214) 0.77% 0.0142% 6149 1.2 113 65758 2200599 2041237 2-3 8: 191 135 121 161 149 175 189 192 0.887 41.29 567.9 69 94 80 94 229 7.7 0.000 -1.104 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3954 1984.2 7.5 scans 41% 149 m/z (281) 0.16% 0.0256% 6184 1.0 173 313569 3942946 3684312 2-2 9: 149 150 237 104 76 167 205 132 50 0.910 40.31 609.3 73 96 92 97 223 36.0 4.339 0.090 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N406_R~1-N1110 Phytol 40.4450 1990.3 >8 scans 43% TIC 0.93% 0.00864% 6193 1.4 167 54457 0.0222% 1330060 1322775 3416485 0-1 0.785 40.66 -26.9 85 88 72 87 278 19.8 1.406 -0.217 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6280 2013.0 7.1 scans 33% 221 m/z (81) 1.2% 0.0117% 6224 0.9 122 40569 1812399 1735555 2-2 17: 221 73 295 281 207 222 296 282 223 401 355 74 369 297 371 209 265 0.876 40.63 632.9 73 97 85 99 369 19.6 2.577 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1254 Phytol 40.9019 2047.0 8.7 scans 59% 82 m/z (151) 1.1% 0.0360% 6270 1.5 184 46217 5540361 4883380 2-1 19: 82 95 81 123 68 57 71 96 43 79 124 67 278 279 109 41 110 80 53 0.967 40.87 4.3 93 97 95 97 278 24.7 1.797 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N407_R~1-N1144 Sclareoloxide 41.2910 2095.2 >23 scans 94% TIC 0.019% 5.37% 6336 0.2 1615 2601681 827462148 787650456 0-4 0.999 41.13 707.4 80 99 99 99 262 356.3 4.864 0.162 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4557 2115.6 8.5 scans 60% 205 m/z (257) 0.83% 0.0497% 6364 1.0 229 61000 7654977 7216647 2-2 15: 205 217 175 189 220 177 232 191 261 176 178 203 221 192 219 0.962 41.49 -81.0 82 99 96 99 276 14.9 0.421 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 41.8453 2139.3 11.0 scans 5.2% TIC 1.3% 0.00643% 6430 0.7 77 37828 989734 880332 1-2 0.082 42.40 -31.1 83 94 11 87 272 46.1 0.000 -0.554 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0336 2149.9 8.1 scans 82% 74 m/z 0.066% 0.189% 6462 1.0 467 766020 29104579 27070416 2-2 20: 74 87 143 43 55 75 227 270 41 57 69 59 129 239 83 88 185 97 101 171 0.954 42.01 747.9 78 98 94 98 272 11.3 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2579 2162.5 12.4 scans 95% TIC 0.045% 1.94% 6500 0.4 1218 1113999 298668103 289184913 2-1 0.995 42.05 11.9 79 78 85 79 272 74.5 0.374 0.213 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3754 2169.1 7.7 scans 39% 73 m/z 0.33% 0.0395% 6520 1.2 216 153692 6079078 5615617 2-3 20: 73 147 281 221 355 429 503 341 282 207 430 504 283 356 222 148 74 415 357 505 0.915 42.37 760.1 73 94 87 97 503 38.0 3.084 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 42.6812 2186.3 11.9 scans 50% TIC 0.10% 0.571% 6572 0.7 662 486957 87915287 80949873 3-2 0.588 43.15 -26.5 80 84 59 82 272 138.3 0.000 -0.473 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9138 2199.3 10.5 scans 32% 148 m/z (189) 1.3% 0.0241% 6611 0.7 142 38480 3719376 3559986 2-1 8: 148 133 243 106 199 143 255 179 0.831 42.90 0.6 89 94 85 95 272 15.8 1.240 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 42.9958 2203.9 8.6 scans 4.4% 134 m/z (82) 3.5% 0.00466% 6627 1.0 74 14555 718541 695525 0-1 16: 134 272 239 71 273 215 113 85 112 260 232 236 257 159 164 304 0.181 42.99 0.3 61 87 28 77 272 14.4 3.814 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4675 2230.4 >17 scans 80% 191 m/z (59) 0.23% 0.264% 6704 1.3 392 215271 40712496 38108029 5-0 20: 191 119 189 80 121 190 192 107 93 81 105 95 91 55 133 79 69 136 41 43 0.968 43.44 1.7 83 82 82 92 272 29.6 0.570 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5808 2236.8 9.7 scans 85% 79 m/z (141) 0.17% 0.385% 6724 0.9 575 287636 59376004 53917592 1-4 20: 79 81 93 95 91 257 69 135 107 41 105 55 134 119 77 67 121 137 201 147 0.983 43.55 1.6 95 97 96 97 272 68.9 1.432 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N419_R~1-N1158 Manool oxide 43.8217 2250.3 10.0 scans 94% 275 m/z 0.046% 1.02% 6765 0.5 976 1093531 157812642 149113162 2-1 20: 275 257 192 81 177 95 137 55 67 191 69 123 43 109 107 79 41 121 276 93 0.996 43.83 812.7 81 100 99 100 275 259.7 7.074 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.1175 2267.1 >10 scans 32% 191 m/z (204) 1.2% 0.0135% 6815 0.8 115 41099 2090089 1974353 2-0 14: 191 192 135 79 91 93 69 272 107 105 262 149 110 372 0.938 44.55 -25.1 88 94 86 93 272 11.4 0.981 -0.436 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1238 Trachylobane 44.2403 2274.2 9.8 scans 80% 79 m/z (356) 0.098% 0.612% 6836 0.8 741 519722 94201055 88246809 2-0 20: 79 81 93 91 95 135 119 105 107 216 77 109 41 272 69 121 148 147 201 133 0.998 44.15 4.9 94 95 96 95 272 98.1 1.754 0.086 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1234 Thunbergol 45.2049 2329.7 >6 scans 76% 262 m/z 0.054% 0.740% 7000 0.0 974 943324 113885828 103603075 1-0 8: 262 259 276 225 114 248 168 224 0.983 44.90 17.5 84 83 87 84 272 75.5 0.600 0.304 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BQLD_R~1-N1054 ? Manool 45.6854 2357.4 >3 scans 78% 257 m/z (191) 0.014% 1.06% 7081 3.6 1768 3639469 1.26% 163456088 163456088 193908586 0-0 20: 257 107 109 177 148 175 203 77 229 120 122 258 176 188 110 150 245 179 215 125 0.989 45.16 893.7 70 91 91 94 272 130.7 0.547 0.526 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.7834 2363.0 7.8 scans 42% 191 m/z (233) 0.67% 0.0304% 7097 1.1 194 75589 4693159 4635449 0-1 20: 191 123 125 82 124 192 206 95 69 290 109 96 55 67 341 150 136 121 68 41 0.782 45.56 12.6 88 93 91 96 290 23.1 1.421 0.220 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 46.0337 2377.4 11.3 scans 90% TIC 0.021% 1.36% 7140 0.4 1063 2416769 210704290 203256787 2-1 0.978 45.98 897.7 79 99 97 99 204 386.1 13.203 0.059 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1405 2383.6 7.4 scans 49% 79 m/z (265) 0.49% 0.0418% 7158 0.9 225 102227 6440844 6106080 1-1 20: 79 67 93 108 95 80 81 94 55 91 41 107 59 77 87 121 78 149 74 135 0.974 46.13 0.4 89 93 93 92 292 18.0 0.643 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5024 2404.4 >8 scans 67% 177 m/z 0.22% 0.0762% 7219 1.6 312 225926 11737287 10413386 1-4 20: 177 195 71 95 43 69 121 290 107 137 109 178 125 113 91 81 55 133 105 148 0.923 46.49 0.4 97 97 90 97 290 44.0 1.993 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7810 2420.4 7.9 scans 18% 74 m/z 1.0% 0.00768% 7266 1.3 94 47485 1182492 1069833 3-4 12: 74 87 143 298 75 255 199 59 88 129 101 185 0.597 46.76 925.3 64 92 55 91 298 22.9 5.885 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.9062 2427.6 8.4 scans 48% 191 m/z (291) 0.55% 0.0315% 7287 1.1 183 92576 4862795 4550296 2-1 7: 191 123 192 82 124 68 190 0.957 46.86 2.7 94 97 95 97 290 23.6 1.668 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.3159 2451.2 8.7 scans 75% 134 m/z (214) 0.34% 0.207% 7357 0.8 450 149309 32004624 28929979 6-2 20: 134 119 79 255 107 91 81 95 121 135 69 105 67 133 109 77 120 187 43 147 0.965 47.36 -2.3 74 73 84 87 272 26.6 0.348 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5219 2463.1 >6 scans 13% TIC 1.9% 0.00230% 7392 999.0 78 25618 0.0226% 354307 338160 3478043 0-1 0.481 47.50 950.3 64 96 55 95 168 12.3 2.513 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9617 2488.4 9.2 scans 89% 134 m/z 0.094% 0.296% 7466 0.8 552 538692 45634534 42163299 2-1 20: 134 119 81 84 191 69 95 79 43 135 55 109 93 41 178 107 121 123 148 67 0.986 47.95 0.8 100 99 98 99 272 56.4 1.047 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N419_R~1-N1164 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 49.0621 2551.7 >22 scans 95% TIC 0.028% 3.97% 7653 0.2 1403 1788082 612340605 598990327 0-1 0.999 48.96 1000.9 81 100 100 100 290 129.2 0.848 0.099 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN N419_R~1-N1166 Pimara-7,15-dien-3-one 50.0149 2606.5 >14 scans 95% 225 m/z 0.075% 1.11% 7815 0.5 897 679573 171190690 154786493 3-0 20: 225 288 220 232 50 140 260 142 208 268 240 170 269 90 212 184 60 275 183 210 0.994 49.99 1029.1 81 100 99 100 286 60.2 0.451 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3407 2625.3 >8 scans 19% 101 m/z 2.6% 0.00387% 7869 2.0 75 19171 595729 559816 0-2 10: 101 255 269 129 42 157 43 55 58 57 0.730 50.36 1038.3 65 90 67 88 326 15.7 4.407 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1026 ?? Tricosane 50.5934 2639.8 8.1 scans 26% 57 m/z (120) 4.7% 0.00329% 7912 0.8 57 10745 506310 442001 3-3 18: 57 71 86 141 43 156 155 56 169 98 183 127 83 42 203 281 72 97 0.777 50.69 -5.4 63 77 74 83 324 4.9 0.000 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8449 2711.8 9.0 scans 40% TIC 2.5% 0.00351% 8124 0.7 74 19910 0.00414% 540674 496618 637128 0-1 0.767 51.86 1080.9 75 97 73 95 503 12.1 2.692 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1030 Pentacosane 54.6625 2874.0 8.6 scans 57% 57 m/z (73) 1.6% 0.0108% 8601 1.4 101 30734 1667266 1555169 3-3 19: 57 71 85 43 55 99 56 41 97 113 69 83 70 84 154 141 155 225 211 0.836 54.79 -7.3 85 92 79 88 352 7.8 0.000 -0.127 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 57.8852 3059.3 12.7 scans 29% 221 m/z 6.6% 0.00216% 9147 1.6 40 7701 333499 307136 1-1 11: 221 147 341 430 191 431 295 296 267 223 429 0.546 48.95 1508.9 65 95 55 91 429 13.1 10.594 8.936 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP5.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7848 3168.6 12.1 scans 39% 57 m/z (96) 6.6% 0.00285% 9468 1.3 45 7620 439228 406477 2-4 8: 57 85 43 55 99 83 97 112 0.682 59.97 -10.5 62 73 64 67 380 1.7 0.000 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 5.3684 804.0 >33 scans 42% 77 m/z (55) 0.88% 0.0188% 251 0.8 69 46522 1865118 1724357 0-1 5: 77 75 78 61 79 0.954 4.37 50.0 88 99 95 99 77 60.2 77.178 0.997 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5851 835.7 >21 scans 76% 177 m/z 0.63% 0.0179% 457 1.6 91 65249 1774674 1693009 1-1 14: 177 133 210 147 176 115 193 103 194 88 75 134 211 59 0.793 6.53 -141.1 80 100 83 99 207 71.3 60.855 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6890 864.4 9.2 scans 85% 69 m/z 1.3% 0.0244% 644 1.8 141 31648 0.0325% 2424962 2326629 3220056 1-0 20: 69 55 41 83 39 42 57 98 70 97 56 43 80 53 54 38 40 79 51 68 0.968 7.71 9.1 100 100 97 99 98 28.7 4.129 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 12.7870 997.2 10.2 scans 22% 281 m/z 1.3% 0.00951% 1508 2.3 76 31464 942488 869676 1-3 19: 281 43 282 108 41 99 69 111 55 265 193 133 191 249 67 68 39 83 58 0.281 12.25 -155.9 71 95 15 92 281 68.3 0.000 0.536 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.9175 1000.6 >16 scans 35% 281 m/z 1.8% 0.00517% 1530 8.2 55 22592 512775 487017 0-1 7: 281 283 134 267 133 76 75 0.652 12.22 54.3 88 99 75 98 281 42.0 58.293 0.698 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.1973 1008.2 10.6 scans 80% 81 m/z (121) 0.67% 0.0221% 1577 2.1 116 60897 2195638 2074277 1-2 19: 81 110 53 41 79 67 68 51 65 95 77 82 63 66 50 54 111 38 40 0.965 13.22 44.6 89 96 95 99 110 33.7 8.483 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1016 Limonene 14.3308 1038.9 8.3 scans 68% 68 m/z 1.2% 0.0202% 1769 1.4 130 34217 2005781 1844282 3-4 19: 68 93 67 136 94 79 124 121 92 107 91 53 123 39 77 41 95 81 80 0.803 13.89 63.6 84 99 89 98 136 26.3 4.117 0.439 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5551 1045.0 >25 scans 83% 79 m/z 0.31% 0.147% 1807 1.3 218 129691 14655060 14216268 2-0 18: 79 107 77 51 53 50 52 105 109 89 37 81 106 62 92 70 66 44 0.971 14.11 66.0 89 100 99 100 108 96.1 19.393 0.446 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8491 1052.9 12.5 scans 45% 91 m/z 0.39% 0.0222% 1857 2.0 120 105124 2206456 1987690 1-2 15: 91 92 65 93 120 63 89 62 66 50 64 51 121 38 52 0.861 14.44 68.1 87 99 83 98 120 42.6 12.706 0.407 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5215 1071.1 12.1 scans 86% 105 m/z 0.12% 0.121% 1971 1.7 264 324772 0.142% 12027769 11051103 14069168 3-0 20: 105 77 123 51 46 106 50 78 74 76 75 79 52 107 38 63 68 53 73 37 0.970 15.17 73.7 87 100 97 100 123 95.3 13.005 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN 98-86-2 ? Acetophenone 15.5988 1073.2 >11 scans 65% 105 m/z 0.30% 0.0370% 1984 1.9 165 136914 0.101% 3672803 3384444 10006943 0-3 14: 105 77 121 43 50 76 106 73 74 62 65 107 89 37 0.957 15.29 -172.5 78 98 93 99 120 49.5 8.999 0.306 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.6525 1074.7 8.5 scans 9.2% 94 m/z (41) 6.1% 0.00226% 1993 1.1 46 6716 224343 224343 0-0 15: 94 55 109 47 69 84 66 43 57 122 58 53 111 72 39 0.638 16.11 -195.5 65 89 75 93 109 22.9 25.082 -0.456 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7511 1077.4 9.1 scans 62% 95 m/z 0.34% 0.0394% 2010 1.7 178 121284 3910761 3687613 1-3 17: 95 81 124 79 43 109 53 91 119 120 39 65 82 67 51 66 63 0.814 15.43 75.7 74 87 73 97 124 55.0 9.556 0.318 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0327 1118.8 9.9 scans 72% 57 m/z (73) 0.86% 0.0486% 2227 1.3 177 48051 4817190 4248564 6-3 17: 57 41 69 56 70 98 55 44 68 82 95 112 67 96 42 99 83 0.910 16.82 -172.6 73 97 92 97 124 6.1 0.000 0.218 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 17.2122 1126.4 10.3 scans 46% 71 m/z (81 120) 1.3% 0.0201% 2257 2.1 109 29902 1994820 1828705 2-2 15: 71 207 110 58 128 43 95 85 41 193 72 84 113 70 194 0.792 16.97 101.7 62 85 88 98 128 25.3 5.371 0.244 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN M4942-N1008 ? Phenylethyl Alcohol 17.4442 1136.2 11.1 scans 77% TIC 0.27% 0.0394% 2297 0.9 169 151495 3906035 3656167 1-3 0.952 17.89 -188.0 78 97 94 97 122 58.0 11.753 -0.445 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.4454 1136.3 9.8 scans 71% 91 m/z 0.28% 0.0356% 2297 0.9 163 143183 3529787 3159262 1-4 16: 91 92 122 65 51 63 39 77 93 104 78 103 74 90 66 52 0.945 17.05 110.3 78 98 92 98 122 56.5 11.973 0.393 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2677 1171.0 10.8 scans 52% 73 m/z 0.78% 0.0177% 2436 1.4 111 52761 1755815 1604190 7-4 20: 73 267 355 268 357 356 74 72 45 75 154 339 249 270 193 205 203 251 162 323 0.798 18.13 -160.7 78 99 79 98 355 47.2 18.092 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8881 1197.2 8.5 scans 24% 98 m/z (99) 8.4% 0.00302% 2542 0.8 51 4908 299740 277721 1-1 15: 98 69 111 82 107 125 83 41 97 67 126 95 70 79 110 0.884 18.71 146.4 63 90 74 89 153 0.0 0.000 0.182 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.9708 1200.7 12.7 scans 64% 144 m/z 0.65% 0.0374% 2555 1.0 149 63027 3715318 3314418 5-4 16: 144 43 101 44 72 73 55 45 42 53 56 74 54 141 85 124 0.862 18.22 157.2 76 97 85 97 144 68.2 20.928 0.750 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN M4942-N1002 ? Pyranone 18.9720 1200.8 12.9 scans 70% TIC 0.64% 0.0369% 2555 1.1 157 63774 3662668 3442632 1-2 0.892 20.04 -189.7 77 98 91 98 144 67.8 18.769 -1.070 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2783 1213.7 8.2 scans 50% 82 m/z (73) 3.1% 0.00374% 2607 1.5 56 13218 371117 339323 1-3 7: 82 81 39 43 54 53 97 0.907 19.12 156.6 75 97 95 99 97 7.7 1.889 0.157 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.9070 1240.3 11.5 scans 39% 119 m/z 1.5% 0.00712% 2714 1.2 69 27527 705400 635097 2-4 8: 119 91 65 120 63 92 90 121 0.867 13.76 40.8 73 79 68 78 134 25.2 13.317 6.150 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 20.0221 1245.1 9.3 scans 54% 57 m/z (95) 1.8% 0.0104% 2733 0.9 88 21951 1033263 968181 1-5 20: 57 45 41 75 85 124 89 87 56 132 69 59 101 72 83 55 58 62 73 82 0.893 19.81 177.6 64 85 84 99 144 0.0 0.000 0.208 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1034 ?? Decanal 20.6438 1267.4 10.1 scans 39% 57 m/z 3.6% 0.00874% 2839 1.5 76 11378 866085 734693 2-5 16: 57 70 41 55 71 82 44 56 68 81 83 96 66 72 54 58 0.713 20.57 -139.6 69 91 66 90 138 5.1 0.000 0.075 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6473 1267.5 14.6 scans 52% TIC 3.3% 0.0132% 2839 1.4 87 12195 0.0146% 1308708 1226706 1446548 2-0 0.743 20.56 188.8 76 100 75 98 128 8.6 0.967 0.084 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1266 ? Octanoic acid 20.7235 1269.8 >10 scans 38% 85 m/z (91) 5.5% 0.00510% 2852 999.0 59 7507 0.0102% 505576 461055 1010602 0-3 6: 85 115 69 87 97 60 0.839 22.03 -39.3 79 91 83 90 175 0.0 0.000 -1.311 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1066 1281.3 8.9 scans 55% 137 m/z 1.4% 0.0174% 2917 1.1 124 28856 1733372 1551817 2-3 20: 137 152 109 123 81 67 77 93 79 95 41 108 39 78 107 65 53 119 153 110 0.706 21.00 196.0 69 91 64 89 155 0.0 0.000 0.106 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 22.4525 1321.7 23.1 scans 49% 105 m/z 1.4% 0.0177% 3145 1.3 79 27555 1753862 1612253 2-1 5: 105 76 50 140 141 0.879 20.03 251.0 71 91 82 91 122 43.2 30.022 2.424 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0246 1338.9 10.0 scans 59% 43 m/z (100) 1.0% 0.0213% 3242 0.6 118 39004 2117393 1944609 2-2 20: 43 69 71 109 57 85 86 41 110 95 127 70 55 113 128 99 42 83 56 155 0.767 22.91 225.3 70 95 91 96 127 18.5 2.470 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1006 ?? Tridecane 23.8882 1364.9 10.1 scans 38% 57 m/z (114) 6.1% 0.00445% 3388 1.1 54 6724 441753 403285 1-4 9: 57 149 98 70 69 126 84 112 123 0.823 23.86 0.9 69 79 79 86 184 5.2 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1633 1374.1 7.2 scans 67% 73 m/z 0.50% 0.0224% 3435 1.0 151 82531 2223963 2076271 2-3 18: 73 341 429 342 147 325 343 430 326 74 207 327 251 432 431 191 75 193 0.902 24.17 -149.7 79 99 88 98 429 42.8 8.033 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 24.5104 1385.7 17.4 scans 84% 60 m/z 0.17% 0.254% 3494 0.7 342 234238 25260274 23052399 1-4 20: 60 73 57 115 129 41 55 43 69 98 61 87 45 39 56 83 101 42 70 74 0.968 22.70 -89.6 79 95 94 99 158 23.4 0.469 1.814 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 24.6379 1389.9 >10 scans 22% 71 m/z 3.4% 0.00274% 3516 1.1 55 11985 271858 255241 0-5 10: 71 85 169 43 99 113 70 127 57 84 0.857 24.54 252.6 66 88 70 87 169 8.2 2.238 0.096 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1030 ?? 7,10,13-Hexadecatrienoic acid, methyl ester 24.9727 1401.1 11.1 scans 24% 79 m/z (119) 4.4% 0.00537% 3571 1.6 57 9366 532527 499798 2-3 10: 79 67 81 80 107 137 94 136 105 78 0.363 41.24 11.6 69 80 47 76 264 0.0 0.000 -16.267 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 25.0205 1402.7 12.3 scans 61% 43 m/z (79) 1.6% 0.0199% 3580 0.9 105 25426 1979948 1826098 2-3 19: 43 83 142 41 85 55 82 113 58 71 56 70 111 69 57 100 128 127 39 0.921 24.70 263.1 61 81 82 96 170 3.4 0.000 0.324 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1004 Nicotine 25.7247 1426.2 >22 scans 96% TIC 0.0054% 8.54% 3699 0.1 1756 7521623 846599527 827590602 0-1 1.000 25.89 269.2 80 99 99 99 162 509.5 8.418 -0.167 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.0967 1472.0 >4 scans 30% TIC 5.4% 0.000605% 3932 5.3 52 7598 59969 59969 0-0 0.743 27.12 297.1 69 91 76 92 355 9.0 2.963 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1917 1475.2 7.8 scans 62% 57 m/z (170) 1.2% 0.0126% 3948 1.1 106 33434 0.0193% 1255643 1190130 1912218 2-0 17: 57 71 43 85 41 99 198 56 70 113 42 98 141 126 127 112 72 0.952 27.21 -0.6 93 97 94 96 198 13.3 1.577 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1114 ?? Caryophyllene 27.8730 1500.8 >10 scans 81% TIC 0.55% 0.0850% 4063 1.0 282 73914 8425704 7994715 2-0 0.915 27.84 315.4 65 86 74 90 204 20.6 0.532 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1032 ? Myosmine 27.9556 1503.9 9.4 scans 85% 118 m/z (95) 0.080% 0.226% 4077 1.3 395 510707 0.242% 22449562 20398915 23977033 0-3 20: 118 146 145 105 78 51 119 104 147 117 63 42 65 39 41 91 64 50 77 76 0.966 27.93 317.2 78 99 96 99 146 172.2 18.970 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.4137 1521.1 8.5 scans 33% 171 m/z (85) 1.7% 0.00582% 4155 0.7 69 23348 576706 534810 2-4 8: 171 80 104 172 115 90 170 175 0.815 28.39 327.7 69 96 83 96 171 31.0 20.146 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6740 1530.9 8.1 scans 80% 43 m/z (99) 0.22% 0.0788% 4199 1.0 256 182776 7811066 6901051 7-10 19: 43 69 41 151 136 107 125 67 93 83 109 53 81 68 39 121 108 79 161 0.988 28.67 333.5 78 99 99 99 194 16.7 0.427 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1044 1547.1 7.7 scans 65% 71 m/z (120) 0.52% 0.0418% 4272 1.2 191 78256 0.0540% 4147688 3742735 5350247 2-0 19: 71 57 43 85 41 70 55 141 113 56 99 112 182 84 183 69 97 42 118 0.907 29.10 343.2 72 98 93 97 227 4.1 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5271 1562.9 >12 scans 54% TIC 0.39% 0.0466% 4343 0.8 190 105511 4618945 4355709 2-0 0.922 29.61 -150.2 79 99 90 98 503 27.1 2.044 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1022 ? Nicotyrine 29.6628 1568.1 10.8 scans 74% 158 m/z 0.020% 0.695% 4366 0.6 696 2021918 68882916 65111433 2-2 20: 158 157 130 159 116 89 117 156 63 90 131 104 143 78 51 142 42 103 62 80 0.910 29.68 355.5 79 99 89 99 158 397.2 32.576 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7715 1572.1 8.1 scans 72% 123 m/z (85) 0.11% 0.0743% 4385 1.1 251 365105 7368984 6707378 0-3 16: 123 43 135 124 107 95 79 109 77 39 81 67 53 97 93 125 0.982 29.77 358.1 78 99 98 100 193 19.8 0.620 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9462 1578.7 >8 scans 74% TIC 0.43% 0.0358% 4414 0.6 197 94092 3552156 3194215 1-1 0.935 29.94 362.3 76 98 93 98 254 4.8 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3281 1593.1 8.0 scans 58% 57 m/z (151) 0.66% 0.0266% 4479 1.2 158 62558 0.0303% 2638050 2628347 3002083 0-3 15: 57 71 43 85 41 55 99 94 56 70 42 126 207 141 212 0.957 30.38 -1.8 82 83 89 95 212 18.7 1.402 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5135 1600.6 8.0 scans 77% 191 m/z 0.088% 0.0841% 4510 1.1 281 469170 8332974 7671889 2-4 20: 191 206 192 57 163 74 91 175 115 41 73 207 107 88 128 77 147 79 161 121 0.950 30.50 375.8 80 99 94 99 206 76.4 7.387 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8205 1613.5 7.9 scans 39% 124 m/z (85) 1.5% 0.0108% 4562 1.2 98 26610 1076096 995881 3-1 8: 124 137 138 125 54 59 96 181 0.961 30.81 384.1 73 96 92 96 180 24.6 6.308 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8913 1616.5 10.4 scans 40% 162 m/z (171) 0.99% 0.0224% 4575 1.4 121 41533 2223766 2007155 2-1 12: 162 147 163 119 51 134 115 149 204 63 65 164 0.782 30.88 0.5 88 94 69 93 204 11.9 0.972 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9279 1618.1 8.6 scans 25% 171 m/z (162) 1.2% 0.0101% 4581 1.0 89 32765 0.0107% 1001624 925873 1060142 2-0 6: 171 172 156 179 169 142 0.851 30.93 0.1 90 92 81 98 171 50.6 32.109 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2113 1630.0 9.6 scans 84% 111 m/z (57) 0.11% 0.198% 4629 0.7 386 353575 19644026 18660115 2-1 20: 111 109 137 180 43 67 110 124 152 95 41 79 39 81 77 69 112 165 93 53 0.982 31.20 394.6 75 97 96 97 180 81.9 4.506 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2113 1630.0 9.6 scans 78% 111 m/z 0.11% 0.174% 4629 0.7 371 352544 17255989 16391689 2-1 20: 111 109 137 180 43 67 110 124 152 95 41 79 39 81 77 69 112 165 93 53 0.952 31.18 395.0 77 97 94 98 180 81.7 4.845 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1130 ? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3258 1634.8 9.2 scans 74% TIC 0.44% 0.147% 4648 0.9 347 93235 14573184 13163803 1-6 0.877 31.35 397.3 79 99 95 99 194 70.5 4.132 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5141 1642.7 9.0 scans 67% 43 m/z (149) 0.64% 0.0279% 4680 1.1 150 64288 2765461 2765461 0-0 19: 43 98 111 55 151 85 127 41 82 71 83 68 67 69 166 39 123 81 58 0.950 31.52 -0.0 96 100 97 99 166 29.4 3.827 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9220 1659.8 8.7 scans 30% 71 m/z (143) 3.0% 0.00955% 4749 0.6 85 13641 946744 945998 1-0 14: 71 57 85 55 82 70 87 113 100 89 86 56 126 156 0.789 31.92 0.1 72 83 66 85 219 3.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0737 1666.2 6.7 scans 29% 221 m/z 1.8% 0.00555% 4775 1.0 79 22160 549926 522311 1-1 18: 221 73 147 295 222 207 355 341 223 296 74 325 281 297 168 191 209 343 0.822 32.08 -0.2 93 95 76 94 355 13.4 2.866 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4415 1681.7 9.6 scans 36% 57 m/z (69) 2.2% 0.0124% 4837 0.9 95 18399 1234961 1144642 0-1 19: 57 85 71 56 197 58 196 41 55 105 99 123 72 113 127 141 165 198 82 0.806 32.44 -0.0 84 95 81 92 226 4.1 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1122 ? Longipinocarvone 32.5655 1686.9 8.0 scans 58% 134 m/z 1.0% 0.0392% 4858 1.0 202 40942 3888850 3507055 4-2 19: 134 69 91 79 41 135 93 133 77 107 175 92 67 119 53 71 108 148 39 0.786 32.60 430.7 74 96 74 96 218 10.2 0.257 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6759 1691.5 8.7 scans 48% 205 m/z (171) 4.2% 0.0191% 4876 1.3 121 9758 1900352 1691181 0-4 7: 205 105 159 93 202 187 146 0.895 32.67 0.0 93 97 87 97 220 7.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8542 1699.0 8.4 scans 22% 70 m/z (149) 2.2% 0.00939% 4907 1.8 82 18086 930617 779825 7-1 2: 70 96 0.597 32.87 -0.5 72 89 66 87 186 6.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0897 1708.9 7.6 scans 34% 97 m/z (93) 5.6% 0.00692% 4947 0.9 81 7344 685749 637563 1-1 20: 97 83 55 57 69 70 41 56 43 111 147 151 99 84 68 85 54 71 112 42 0.873 33.09 0.2 84 92 93 94 224 5.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3046 1717.9 7.3 scans 67% 57 m/z (79) 0.58% 0.0308% 4983 0.7 167 70870 3059280 2854285 6-1 17: 57 71 85 43 41 99 56 70 113 226 42 84 140 155 98 141 72 0.955 33.37 -2.9 95 99 96 99 226 17.9 1.155 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8914 1728.2 8.2 scans 25% TIC 2.5% 0.00403% 5083 0.9 83 16129 0.00551% 399846 372017 545923 0-10 0.457 33.90 -0.1 78 96 80 93 197 16.7 4.029 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.7 scans 17% 57 m/z (59) 3.4% 0.00374% 5147 1.0 59 11893 370704 349474 1-1 18: 57 71 85 196 127 211 98 210 182 183 184 58 86 169 141 70 162 60 0.837 34.27 0.1 84 92 77 90 211 12.6 4.521 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1134 ?? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.3406 1734.6 9.1 scans 32% 136 m/z (73) 1.7% 0.0151% 5158 0.7 111 23715 1501695 1467904 2-0 10: 136 91 79 93 107 135 137 187 94 80 0.908 34.50 450.0 66 92 85 91 218 0.0 0.000 -0.155 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.4008 1735.5 8.4 scans 93% 73 m/z 0.021% 0.944% 5169 0.8 918 1922220 93532144 88304759 2-2 20: 73 147 221 356 222 282 74 327 415 148 207 283 403 75 416 191 133 341 339 205 0.992 34.39 452.5 81 100 99 100 415 100.9 1.210 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7745 1740.8 11.9 scans 87% TIC 0.051% 0.345% 5232 0.4 475 805637 34205529 31082583 3-2 0.982 34.79 451.8 80 99 98 99 199 133.3 7.876 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8973 1742.6 7.7 scans 31% 68 m/z (71) 2.4% 0.0108% 5253 1.3 98 17114 1071730 958121 3-3 3: 68 224 232 0.895 34.90 -0.1 92 98 94 98 224 13.1 1.812 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6818 1753.8 8.9 scans 44% 123 m/z (147) 0.74% 0.0237% 5386 1.1 137 55297 2352365 2160148 2-3 6: 123 131 124 224 132 178 0.924 35.70 451.1 73 95 84 96 224 14.8 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5520 1766.3 7.2 scans 25% 221 m/z 0.87% 0.0139% 5533 1.0 119 47044 1378737 1291620 3-3 18: 221 73 147 207 295 222 281 223 267 341 148 208 74 327 297 209 371 283 0.662 36.58 449.8 76 98 69 96 369 19.9 2.806 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1931 1775.4 8.4 scans 20% 209 m/z (85) 2.0% 0.00669% 5642 1.0 75 20568 663711 620486 5-2 10: 209 181 224 210 165 167 89 225 103 178 0.721 37.20 449.1 71 97 79 98 224 24.1 10.432 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.3005 1777.0 8.3 scans 49% 71 m/z (91) 1.2% 0.0220% 5660 1.3 133 33200 0.0304% 2182936 1983232 3011991 2-1 20: 71 85 57 43 99 113 127 84 55 211 41 69 70 155 169 141 114 97 56 126 0.943 38.91 -23.0 79 84 90 82 254 0.0 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0579 1787.8 8.3 scans 57% 57 m/z (119) 0.84% 0.0259% 5789 1.0 145 49165 2572822 2320375 1-2 19: 57 71 85 43 56 41 225 55 113 69 70 141 149 97 83 125 226 98 84 0.942 38.06 448.1 74 99 95 98 225 26.0 3.213 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.6105 1795.7 8.2 scans 94% 73 m/z 0.024% 0.733% 5882 0.8 819 1706389 72626381 69975802 1-2 20: 73 147 221 281 430 207 74 148 357 295 282 267 223 325 343 432 283 459 133 191 0.991 38.59 447.6 80 99 99 99 429 214.3 6.850 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4718 1869.6 9.0 scans 19% 87 m/z 2.4% 0.00472% 6028 0.9 64 17105 468504 425566 2-3 13: 87 74 143 228 211 75 256 129 213 59 115 227 104 0.525 39.45 508.1 70 95 52 91 256 11.3 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.9653 1930.8 >22 scans 96% 95 m/z 0.014% 7.09% 6112 0.1 1722 2912017 7.34% 702715299 702715299 727237276 0-0 20: 95 123 82 68 81 55 69 41 67 57 43 109 83 97 96 71 124 111 79 137 1.000 39.94 561.7 81 100 100 100 278 113.6 0.436 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0031 1935.5 >4 scans 75% 58 m/z 0.18% 0.0776% 6118 1.8 368 224590 7693455 7006155 0-9 20: 58 43 59 71 85 109 55 57 110 41 124 95 69 250 56 70 83 113 165 125 0.976 39.88 567.2 75 96 94 96 250 38.2 1.079 0.120 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3626 1980.1 7.6 scans 41% 149 m/z 0.19% 0.0240% 6179 1.0 153 213637 2386011 2261700 2-2 8: 149 150 104 76 205 167 132 50 0.870 40.31 605.2 76 97 77 97 223 33.2 4.685 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N406_R~1-N1110 ? Phytol 40.4222 1987.5 8.2 scans 36% 82 m/z (136) 2.1% 0.0183% 6189 1.5 119 19242 0.0221% 1819013 1672797 2189638 3-0 13: 82 81 95 68 123 124 110 67 96 109 79 111 278 0.816 40.66 -29.7 79 86 73 85 278 14.1 1.417 -0.240 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6105 2010.8 7.3 scans 55% 221 m/z (185) 0.66% 0.0251% 6221 1.0 157 62229 2487772 2370156 4-2 18: 221 73 147 295 207 281 369 223 296 282 222 355 74 371 401 267 209 370 0.922 40.63 630.7 74 97 94 99 369 24.2 2.382 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1254 Phytol 40.8844 2044.8 >9 scans 54% TIC 1.9% 0.0136% 6267 1.0 137 21521 1356429 1202654 1-1 0.896 40.87 2.1 93 95 88 94 278 16.3 1.405 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1144 Sclareoloxide 41.2551 2090.8 20.2 scans 95% 109 m/z 0.019% 5.99% 6330 0.2 1622 2169733 594316761 565199393 0-6 20: 109 81 191 95 43 123 121 177 107 229 93 55 79 67 135 91 137 149 71 124 0.999 41.13 703.0 80 99 100 100 262 336.5 4.307 0.126 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3000 2096.3 >4 scans 48% 173 m/z (239) 0.28% 0.0300% 6338 6.2 217 143996 2979454 2645591 0-2 2: 173 175 0.961 41.29 705.9 72 93 88 96 229 16.5 0.580 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4494 2114.8 8.4 scans 66% 205 m/z (93) 0.57% 0.0822% 6363 0.8 266 71264 8144671 7832273 1-2 18: 205 217 175 57 189 220 177 232 91 261 203 191 163 206 233 77 135 119 0.955 41.49 -81.8 82 99 95 99 276 17.0 0.411 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 41.8278 2138.4 11.3 scans 6.7% TIC 1.8% 0.00775% 6427 0.7 76 22754 768677 736739 2-1 0.100 42.40 -32.0 84 95 15 88 272 39.0 0.000 -0.571 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0208 2149.2 7.9 scans 89% TIC 0.056% 0.277% 6460 0.9 522 737271 27466733 26248878 2-1 0.973 42.01 747.2 79 98 97 98 272 11.5 0.049 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 42.2339 2161.2 10.4 scans 96% TIC 0.052% 1.86% 6496 0.4 1150 787154 184336694 177681070 3-1 0.997 42.05 10.6 80 78 85 80 272 64.3 0.312 0.189 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3526 2167.8 7.6 scans 52% 73 m/z 0.22% 0.0628% 6516 1.1 249 183099 6224142 5802536 2-3 20: 73 147 281 221 355 429 207 282 341 503 222 283 148 74 356 431 415 295 430 504 0.926 42.37 758.8 76 96 91 99 503 35.1 1.995 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 42.6578 2184.9 11.8 scans 47% TIC 0.15% 0.443% 6568 0.9 523 265880 43914974 40596708 3-3 0.555 43.15 -27.9 79 84 55 81 272 106.4 0.000 -0.496 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8786 2197.3 15.2 scans 33% 133 m/z (229) 1.9% 0.0288% 6605 1.1 120 20890 2854865 2673796 1-1 14: 133 105 79 157 77 41 154 110 94 158 65 68 124 51 0.758 42.90 -1.4 85 93 71 92 272 12.0 0.997 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1246 Thunbergen/Cembrene 43.2150 2216.2 >5 scans 16% 276 m/z (262) 1.4% 0.0233% 6661 999.0 120 28053 0.0606% 2310988 1234589 6004166 0-8 3: 276 98 128 0.177 42.99 12.6 85 93 20 88 272 28.8 0.000 0.225 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4459 2229.2 >15 scans 74% TIC 0.33% 0.155% 6701 1.1 303 122827 15412721 13756206 4-1 0.942 43.44 0.5 80 80 74 88 272 17.3 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5610 2235.6 9.3 scans 88% 79 m/z (204) 0.22% 0.366% 6721 0.9 520 186281 36300423 33338974 1-3 20: 79 81 95 93 91 69 257 41 107 105 55 109 119 216 77 134 121 67 137 147 0.989 43.55 0.4 97 99 98 99 272 57.2 1.211 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N419_R~1-N1158 Manool oxide 43.7936 2248.7 9.5 scans 92% 257 m/z 0.093% 0.701% 6760 0.8 747 444308 69505610 63011350 3-2 20: 257 81 192 177 95 137 55 67 69 43 123 191 41 107 79 121 93 82 149 276 0.991 43.83 811.1 81 100 99 100 275 186.2 6.208 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0704 2264.4 10.3 scans 5.2% 192 m/z 6.9% 0.000737% 6807 0.9 35 5929 73052 73052 0-0 16: 192 121 205 107 79 105 93 91 80 110 272 119 115 77 204 117 0.213 44.05 0.9 76 86 14 78 272 8.0 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1238 Trachylobane 44.1985 2271.8 9.1 scans 90% 79 m/z 0.12% 0.573% 6829 0.8 692 327475 56807747 52057136 2-1 20: 79 81 95 93 91 135 69 107 105 119 109 41 55 121 134 77 257 67 133 272 0.992 44.15 2.5 100 100 99 100 272 82.9 1.435 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5492 2292.0 9.3 scans 47% 191 m/z (137) 0.63% 0.0571% 6888 0.8 206 65483 0.0686% 5664594 5464441 6796795 0-1 6: 191 109 135 192 272 110 0.943 44.55 -0.2 91 94 89 95 272 18.3 0.793 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1234 Thunbergol 45.2889 2334.6 >11 scans 75% 121 m/z 0.025% 2.31% 7013 0.1 1404 1593047 229835313 229835313 0-0 20: 121 175 189 258 248 149 261 118 243 273 161 216 196 162 148 264 244 164 61 114 0.991 44.90 22.4 85 84 89 85 272 77.6 0.306 0.388 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.7009 2358.3 7.6 scans 37% 191 m/z (203) 1.9% 0.0153% 7083 1.2 120 21593 1516752 1475205 0-1 16: 191 123 192 124 82 150 125 290 206 95 136 67 55 96 122 68 0.919 45.56 7.9 91 94 88 94 290 13.4 1.249 0.138 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7883 2363.3 7.5 scans 19% 73 m/z 1.7% 0.00616% 7097 1.2 79 23049 610645 586707 1-3 18: 73 355 147 221 281 357 207 222 356 282 265 358 74 415 430 431 503 283 0.748 45.78 0.7 88 91 66 89 503 7.4 0.876 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N419_R~1-N1168 UNK Hydrocarbon ring structure 45.9607 2373.2 10.7 scans 83% TIC 0.043% 0.804% 7127 0.5 738 947963 79724793 73923539 2-4 0.925 45.98 893.5 80 100 95 99 204 271.9 13.590 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.1177 2382.2 >8 scans 72% TIC 0.35% 0.0619% 7154 1.0 279 115768 0.237% 6135678 5918849 23481640 1-0 0.935 46.13 -1.0 90 92 88 93 292 19.8 0.504 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4625 2402.1 8.5 scans 70% 177 m/z (235) 0.52% 0.0560% 7213 1.2 219 78867 5555561 5198879 0-3 19: 177 195 95 69 43 71 121 137 107 290 109 81 178 41 125 113 93 91 79 0.973 46.49 -1.9 97 99 96 98 290 26.5 1.464 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7676 2419.7 7.8 scans 31% 74 m/z (92) 1.5% 0.00980% 7264 1.2 93 26948 970960 893258 2-7 11: 74 87 75 143 298 255 267 88 299 59 199 0.882 46.76 924.6 68 95 85 94 298 18.3 3.889 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BMN_RE~1-N1026 ?? Methyl stearate 46.7676 2419.7 7.8 scans 30% 74 m/z (92 145) 1.5% 0.00962% 7264 1.2 92 27071 953899 877562 2-7 11: 74 87 75 143 298 255 267 88 299 59 199 0.867 45.92 941.0 67 94 86 93 298 18.3 3.950 0.848 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8751 2425.8 8.6 scans 39% 191 m/z (141) 1.3% 0.0158% 7282 1.1 114 30498 1568780 1426213 2-2 10: 191 123 192 290 82 190 167 136 275 139 0.910 46.86 0.9 92 97 89 96 290 15.5 1.843 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2830 2449.3 8.7 scans 67% 93 m/z (227) 0.61% 0.114% 7351 1.1 302 66694 11319106 10582692 4-2 20: 93 134 41 255 79 119 107 91 81 121 95 69 55 67 105 133 77 57 109 43 0.927 47.36 -4.2 72 74 79 86 272 16.9 0.312 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6709 2471.7 7.5 scans 7.3% 221 m/z 7.9% 0.00115% 7417 1.0 35 5225 114572 99827 1-4 14: 221 369 73 355 147 370 341 281 295 222 297 223 371 282 0.680 44.32 1024.4 60 86 56 82 369 8.6 0.000 3.351 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9330 2486.7 8.6 scans 85% 134 m/z 0.21% 0.147% 7461 1.2 361 188814 14629267 13836941 2-2 20: 134 119 81 84 191 69 43 95 79 55 41 135 109 93 178 121 107 67 123 105 0.948 47.95 -0.9 100 99 94 99 272 34.7 0.926 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N419_R~1-N1164 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.9613 2545.9 17.6 scans 94% 95 m/z 0.052% 2.52% 7636 0.3 1079 789874 249968844 238145387 0-4 20: 95 81 109 43 69 71 55 123 82 121 137 67 191 93 41 79 83 149 108 96 0.996 48.96 995.1 81 100 99 100 290 87.0 0.650 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN N419_R~1-N1166 Pimara-7,15-dien-3-one 49.9802 2604.5 9.3 scans 94% TIC 0.14% 0.545% 7808 0.7 663 291778 54031957 51351244 2-1 0.986 49.99 1027.1 81 100 99 100 286 41.1 0.386 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1018 ?? Contamination 48.95min 51.8356 2711.3 8.1 scans 33% TIC 2.8% 0.00272% 8122 0.8 59 14392 269670 251117 6-0 0.657 48.95 1160.9 69 97 64 94 429 14.4 5.868 2.887 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6025 2870.5 8.9 scans 42% 282 m/z (105) 3.5% 0.00482% 8591 1.7 60 11554 477615 426810 2-2 10: 282 221 147 355 341 429 431 357 148 265 0.722 45.81 1394.0 69 96 74 94 503 6.1 0.000 8.791 G:\GCMS data\Nicotiana diversity panel SPME\N419_REP6.FIN HCMIX_~1-N1030 ? Pentacosane 54.6604 2873.8 8.6 scans 55% 57 m/z (282) 2.5% 0.0100% 8601 1.5 86 16369 998351 909998 3-3 16: 57 71 85 43 55 70 99 69 41 111 97 86 84 98 140 169 0.827 54.79 -7.5 77 86 76 82 352 5.3 0.000 -0.130 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1210 771.5 4.9 scans 87% 77 m/z (72) 0.050% 0.190% 40 3.5 318 1045106 0.191% 10431787 8505977 10476519 5-7 16: 77 45 78 79 62 76 59 75 63 47 61 46 92 58 64 80 0.997 4.37 17.5 99 100 100 100 77 271.1 72.861 -0.250 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5844 835.7 16.8 scans 62% 207 m/z 0.47% 0.0522% 457 3.0 113 111048 2863478 2685474 1-1 20: 207 209 191 133 210 97 177 119 192 165 163 193 176 134 88 89 105 73 179 115 0.780 6.53 -141.1 80 100 83 99 207 88.4 60.737 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6824 864.3 8.5 scans 85% 55 m/z 1.1% 0.0647% 643 1.8 170 47394 0.0931% 3553572 3471189 5106617 1-0 20: 55 69 41 83 39 42 98 57 70 97 56 43 53 80 81 54 79 68 51 40 0.970 7.71 9.0 99 98 97 98 98 41.3 5.889 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2575 983.4 >9 scans 25% 265 m/z (250) 0.95% 0.0258% 1416 999.0 105 54943 0.0726% 1420506 1186139 3982174 0-4 15: 265 208 179 147 193 194 115 235 209 106 266 195 189 110 252 0.414 12.22 37.1 88 95 73 98 281 62.2 35.370 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6772 994.3 9.5 scans 74% 81 m/z 0.23% 0.116% 1489 2.1 197 219646 6389661 5640414 2-2 19: 81 110 53 39 79 41 67 68 65 82 51 77 95 50 66 54 40 111 63 0.890 13.22 30.7 94 96 86 98 110 61.0 9.556 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9328 1001.0 7.7 scans 48% 43 m/z (59) 3.4% 0.0200% 1532 1.4 93 15142 1101612 1021031 2-3 20: 43 57 56 41 84 44 69 42 85 82 39 68 100 72 101 53 71 54 50 66 0.776 12.96 -173.8 67 98 88 97 110 8.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1040 ?? Decane 13.6448 1020.3 7.6 scans 61% 71 m/z (74) 2.5% 0.0142% 1653 1.3 79 20763 779849 693263 2-3 13: 71 57 43 70 113 55 56 41 85 112 42 114 72 0.945 12.90 20.3 68 74 82 74 142 0.0 0.000 0.747 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1016 Limonene 13.9075 1027.4 8.6 scans 46% TIC 1.4% 0.0345% 1697 1.3 130 37345 1896614 1780052 1-2 0.604 13.89 52.1 83 98 84 97 136 25.1 3.748 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1052 1032.8 10.0 scans 93% 79 m/z 0.046% 1.11% 1731 1.0 608 1120723 61106706 54155464 2-6 20: 79 108 107 77 51 91 78 50 80 89 90 109 39 63 65 53 52 74 105 62 0.998 14.11 53.8 92 100 100 100 108 267.9 19.392 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4559 1042.3 9.1 scans 90% 91 m/z 0.053% 0.385% 1790 1.3 379 980359 21146857 18760027 2-5 20: 91 92 120 65 63 39 89 51 50 62 121 90 64 93 74 38 66 61 52 41 0.988 14.44 57.5 91 100 99 100 120 122.6 10.462 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1785 1061.8 >11 scans 82% 105 m/z 0.10% 0.291% 1913 1.1 328 482447 16002284 14430325 2-1 20: 105 77 123 51 46 66 50 106 124 78 74 76 52 79 75 38 53 95 49 110 0.928 15.17 64.4 84 94 94 95 123 111.5 11.573 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.2145 1062.8 13.2 scans 2.4% 122 m/z (105) 2.8% 0.00743% 1919 1.8 44 18248 407554 358968 2-1 2: 122 45 0.427 20.03 -7.9 62 89 20 81 122 35.8 67.210 -4.815 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN 98-86-2 ? Acetophenone 15.2753 1064.5 9.2 scans 83% 105 m/z 0.053% 0.472% 1929 1.1 446 982513 25919983 23822674 1-3 20: 105 77 120 51 50 106 43 78 74 121 76 63 75 91 39 65 52 62 89 38 0.992 15.29 -181.2 79 98 98 99 120 156.7 12.353 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4311 1068.7 8.8 scans 75% 95 m/z (99) 0.15% 0.250% 1956 1.5 303 333113 13731939 12513571 1-6 19: 95 81 124 43 79 53 109 39 41 65 82 96 66 55 80 125 63 52 50 0.920 15.43 67.0 85 98 96 100 124 88.8 8.609 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1002 Undecane 16.6000 1100.5 9.7 scans 68% TIC 0.81% 0.0513% 2154 1.3 152 64059 2817617 2674188 1-0 0.838 16.59 0.5 90 96 87 94 156 12.8 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7848 1108.4 9.3 scans 83% 57 m/z (85) 0.29% 0.287% 2185 1.1 313 177239 15754726 13912060 3-5 20: 57 41 56 55 43 44 98 70 82 69 68 95 96 67 81 42 39 54 45 114 0.992 16.82 86.0 79 97 97 97 124 18.7 0.357 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9654 1116.0 8.5 scans 79% 71 m/z 0.17% 0.217% 2215 1.2 310 297231 11911082 10541003 2-2 20: 71 95 43 58 110 128 41 85 55 84 57 69 72 70 68 39 56 42 113 67 0.976 16.97 91.3 81 98 97 100 128 76.1 6.031 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0811 1120.9 10.3 scans 93% 91 m/z 0.016% 1.71% 2235 0.7 774 3257696 93848228 87253405 2-6 20: 91 92 122 65 77 51 63 39 93 89 78 103 123 104 50 62 90 52 64 66 0.993 17.05 94.9 82 99 98 100 122 262.5 11.515 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0723 1162.7 8.7 scans 72% 73 m/z 0.39% 0.0823% 2403 1.5 182 131340 4519397 4142129 2-2 20: 73 355 267 356 268 269 251 74 162 339 193 357 75 191 154 205 165 59 323 163 0.902 18.13 -169.0 79 99 86 99 355 79.0 18.754 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN M4942-N1002 ?? Pyranone 18.1260 1165.0 9.7 scans 29% 43 m/z 1.6% 0.0214% 2412 1.6 90 32708 1179255 1075112 3-4 14: 43 101 44 72 144 71 55 87 104 115 111 58 156 70 0.708 20.04 -225.5 63 86 72 90 144 39.4 18.963 -1.916 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2134 1168.7 9.3 scans 6.7% 281 m/z (134) 7.8% 0.00218% 2427 1.7 27 6692 119999 108309 1-1 5: 281 265 283 193 207 0.461 12.25 15.6 79 91 37 88 281 21.7 63.951 5.962 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7057 1189.5 8.2 scans 55% TIC 1.5% 0.0281% 2510 0.9 135 32997 1546329 1426800 1-1 0.805 18.71 138.7 77 99 83 97 153 6.1 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8285 1194.7 9.1 scans 53% 70 m/z 1.2% 0.0563% 2531 1.1 156 43272 3090383 2804968 2-3 20: 70 55 41 83 43 69 57 39 84 56 96 42 67 97 98 54 68 72 93 53 0.778 18.83 142.0 72 97 82 96 122 22.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9961 1201.8 8.3 scans 55% TIC 1.1% 0.0300% 2559 0.9 135 45708 0.0405% 1647367 1554234 2221461 0-1 0.805 29.94 -14.6 77 82 81 82 254 0.0 0.000 -10.945 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1207 1207.0 8.3 scans 44% 82 m/z 1.0% 0.0186% 2580 1.4 96 48950 1024166 911726 2-1 11: 82 81 43 39 54 53 121 97 83 98 38 0.837 19.12 149.9 75 100 87 99 97 16.2 2.828 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2470 1212.4 9.8 scans 11% 119 m/z (60) 4.4% 0.00576% 2602 1.4 45 11714 316260 285007 4-0 4: 119 91 134 135 0.683 13.76 12.9 76 80 68 80 134 17.8 15.424 5.490 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8019 1235.8 9.3 scans 78% 57 m/z 0.15% 0.258% 2696 1.6 307 332477 14185801 12842774 6-3 20: 57 45 41 75 87 56 89 43 72 59 101 100 85 60 71 73 44 55 62 39 0.913 19.81 168.3 78 98 93 100 144 6.3 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3232 1257.8 11.6 scans 73% 56 m/z (131) 0.68% 0.0704% 2784 1.3 150 76566 3862444 3610550 5-1 8: 56 42 98 170 72 126 54 73 0.931 20.32 0.1 93 98 93 97 170 16.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1034 ? Decanal 20.5257 1263.9 8.4 scans 83% TIC 0.44% 0.200% 2819 0.7 287 117770 10997046 10225728 2-1 0.955 20.57 -143.1 79 99 96 99 138 15.4 0.288 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9371 1276.2 10.5 scans 62% 94 m/z (137) 0.24% 0.114% 2888 1.5 189 211582 6290440 5612267 8-2 6: 94 138 66 45 139 143 0.971 20.98 191.2 77 98 96 99 152 4.1 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9950 1278.0 8.6 scans 67% 137 m/z 0.30% 0.186% 2898 0.9 292 169873 10247232 9745315 2-2 16: 137 152 109 123 81 67 91 79 93 41 119 55 53 107 153 124 0.907 21.00 192.7 60 80 64 80 155 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1024 ? Hexadecane 21.0835 1280.6 7.3 scans 67% 71 m/z 0.51% 0.0695% 2913 1.1 194 102203 3813830 3497535 1-2 19: 71 43 57 85 70 41 141 55 140 99 56 42 113 112 72 84 86 98 125 0.951 33.32 13.6 75 77 86 78 226 0.0 0.000 -12.235 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1042 ? Phytol 21.2813 1286.5 8.9 scans 39% 57 m/z (101) 3.4% 0.0209% 2946 0.9 91 15342 1146621 1058375 1-1 15: 57 70 71 43 55 41 111 95 96 282 42 84 67 68 72 0.954 35.35 -10.9 74 79 83 78 196 0.0 0.000 -14.066 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2813 1286.5 8.9 scans 32% 57 m/z 3.4% 0.0115% 2946 0.9 82 15349 632161 583508 1-1 15: 57 70 71 43 55 41 111 95 96 282 42 84 67 68 72 0.807 16.82 -4.9 69 77 58 75 124 2.7 0.000 4.466 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4377 1291.2 6.7 scans 7.4% 147 m/z 5.7% 0.00343% 2973 1.1 44 9176 188478 174496 1-1 9: 147 281 73 282 148 369 265 249 191 0.669 21.56 -147.5 73 98 64 95 369 12.7 0.000 -0.120 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0109 1308.4 8.7 scans 80% TIC 0.034% 0.647% 3070 1.0 507 1519876 35498667 31839045 3-3 0.951 22.01 208.0 80 100 97 100 190 133.7 6.960 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9035 1335.2 9.1 scans 42% 109 m/z (57 81) 0.15% 0.278% 3221 1.2 312 340002 15288274 13683344 4-4 6: 109 69 86 110 128 95 0.901 22.91 221.6 68 95 81 93 127 40.4 1.676 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8321 1363.1 10.3 scans 60% 57 m/z (72) 0.51% 0.110% 3379 1.1 184 101967 6079555 5570349 1-2 15: 57 71 85 41 55 84 70 56 184 69 42 127 98 83 86 0.909 23.86 -0.9 84 91 85 89 184 20.0 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0806 1371.3 7.6 scans 65% 73 m/z 0.13% 0.225% 3421 1.0 333 395070 12391440 11342705 2-5 20: 73 341 342 325 147 429 343 430 431 74 326 207 327 344 45 148 75 432 191 311 0.925 24.17 -152.5 79 99 91 99 429 98.3 8.712 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.3268 1379.5 7.7 scans 32% 71 m/z 1.9% 0.0114% 3463 1.0 92 26931 628496 609061 1-0 19: 71 57 85 43 99 70 41 113 69 155 137 55 72 56 87 111 42 110 109 0.722 20.36 -20.7 63 76 71 74 170 9.2 0.000 3.969 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6763 1391.2 7.4 scans 47% 43 m/z (146) 1.8% 0.0204% 3521 1.2 102 28624 0.0306% 1121880 1015762 1678437 1-1 19: 43 83 58 82 55 41 85 56 113 111 93 67 39 71 70 114 84 128 127 0.950 24.70 251.6 68 89 88 97 170 3.2 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1004 ?? Nicotine 25.4892 1418.4 14.9 scans 50% 84 m/z (57) 0.31% 0.127% 3659 1.8 171 167633 6973807 6359277 3-2 19: 84 133 162 71 42 161 118 92 159 130 51 65 78 117 134 82 141 113 132 0.758 25.89 261.4 65 88 75 89 162 45.7 7.094 -0.403 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0128 1435.8 8.7 scans 6.7% 145 m/z (60) 4.4% 0.00504% 3748 1.4 44 11780 276618 253037 3-5 4: 145 160 115 146 0.789 27.08 -187.0 63 92 64 91 160 18.4 17.734 -1.064 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0860 1471.7 6.6 scans 54% 221 m/z 0.79% 0.0368% 3930 1.0 144 65578 2019975 1847215 2-2 20: 221 73 147 281 222 267 355 148 223 282 443 268 74 356 149 205 207 249 444 357 0.889 27.12 296.8 78 98 86 97 355 27.0 3.503 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 7.8 scans 80% 57 m/z (183) 0.24% 0.151% 3944 1.1 261 209645 0.202% 8317170 7946820 11079879 1-0 20: 57 71 43 85 41 55 56 99 70 198 42 84 112 69 113 98 127 72 126 39 0.986 27.21 -1.3 96 97 98 98 198 30.5 1.363 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8369 1499.4 7.8 scans 62% 71 m/z (121) 0.32% 0.174% 4057 1.2 277 158985 9582997 9174160 1-4 16: 71 57 43 85 70 41 55 169 168 99 56 113 42 153 140 127 0.831 27.84 314.1 62 91 85 93 212 11.5 0.173 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1032 ?? Myosmine 28.0612 1507.8 13.9 scans 15% 118 m/z (147) 2.6% 0.0225% 4095 1.6 75 19573 1236257 1116985 4-2 5: 118 146 104 78 145 0.339 27.93 321.1 63 95 63 95 146 31.7 17.951 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3735 1519.6 9.3 scans 30% 80 m/z (57) 2.0% 0.0170% 4148 1.0 81 25671 936725 864722 5-3 6: 80 171 104 124 165 103 0.720 28.39 326.2 61 86 72 92 171 29.8 13.597 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6569 1530.2 8.7 scans 54% 43 m/z (85) 0.21% 0.182% 4196 0.8 259 240891 10011307 8889453 3-1 17: 43 69 41 136 107 93 67 125 53 121 109 39 79 108 68 83 161 0.860 28.67 332.8 74 99 88 97 194 16.3 0.397 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0937 1546.7 7.8 scans 75% 71 m/z 0.12% 0.369% 4270 1.1 448 413595 0.553% 20263945 18700285 30332539 2-0 20: 71 57 43 85 41 177 70 55 141 56 113 112 99 220 97 84 135 69 163 149 0.960 29.09 343.0 78 99 95 99 220 56.3 1.581 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5117 1562.4 7.7 scans 81% 73 m/z 0.063% 0.616% 4341 1.0 545 823790 33801740 32136720 2-2 20: 73 281 147 327 282 415 341 503 283 221 328 399 148 74 504 416 329 325 342 417 0.975 29.61 -150.7 80 99 97 99 503 87.8 2.594 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7649 1571.9 7.9 scans 67% 123 m/z 0.031% 0.490% 4384 0.9 484 1666443 26897216 24852246 1-4 20: 123 135 124 107 95 91 79 109 77 39 93 81 67 125 105 53 97 165 193 65 0.934 29.77 357.9 78 98 90 98 193 40.6 0.703 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3222 1592.8 7.5 scans 42% 57 m/z (138) 0.38% 0.0928% 4478 1.1 211 137072 5091355 4849515 0-1 20: 57 71 43 85 41 55 56 212 99 70 179 42 58 207 98 113 54 84 69 97 0.948 30.38 -2.1 85 89 93 92 212 26.6 1.590 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4952 1599.9 8.2 scans 89% 191 m/z 0.013% 1.34% 4507 0.9 787 3742831 73610746 70902075 2-2 20: 191 206 192 57 163 74 41 115 175 207 88 77 147 128 161 105 133 117 65 135 0.991 30.50 375.1 81 100 99 100 206 210.1 7.120 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8216 1613.6 8.3 scans 37% 124 m/z (71) 0.82% 0.0462% 4563 1.0 140 63648 2537936 2369718 3-3 5: 124 137 180 138 54 0.941 30.81 384.2 72 94 88 96 180 35.6 6.465 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8818 1616.1 8.8 scans 37% 161 m/z (179) 1.2% 0.0514% 4573 0.9 142 42088 2819382 2600905 2-1 16: 161 134 204 119 105 189 91 165 133 132 104 106 117 145 130 115 0.755 30.88 0.1 70 77 40 82 204 33.9 5.667 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1044 ?? UNK 31.21min 31.2172 1630.2 12.0 scans 28% TIC 0.13% 0.373% 4630 0.6 340 383617 20476999 17848229 2-4 0.342 31.20 394.8 66 92 32 88 180 120.8 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2183 1630.3 10.3 scans 81% 111 m/z (71) 0.057% 0.944% 4630 0.5 575 915638 51828782 48977363 2-2 19: 111 109 137 180 67 110 124 152 95 79 81 77 39 93 112 65 53 165 91 0.976 31.18 395.3 75 96 96 99 180 123.1 4.583 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5094 1642.5 9.5 scans 74% 43 m/z (165) 0.27% 0.181% 4679 1.2 262 192316 9932277 9445155 1-1 20: 43 98 111 71 85 166 55 127 41 82 68 83 69 67 99 107 123 39 81 58 0.990 31.52 -0.2 93 94 95 97 166 44.7 2.916 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7845 1654.0 8.4 scans 21% 85 m/z (57) 1.4% 0.0245% 4725 0.8 101 36742 1348849 1252311 1-1 16: 85 197 84 194 137 167 151 69 141 147 138 155 152 136 65 53 0.835 31.80 -0.5 64 66 23 85 208 16.2 2.573 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9220 1659.8 7.6 scans 59% 83 m/z (75) 0.71% 0.0936% 4749 0.8 205 73156 5135052 4582079 4-1 8: 83 71 82 55 155 127 126 211 0.969 31.92 0.1 83 86 94 90 219 4.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0696 1666.0 6.8 scans 67% 221 m/z 0.19% 0.152% 4774 1.0 292 267637 8371108 7607788 2-2 20: 221 73 147 207 222 295 341 223 355 281 148 296 267 325 74 342 208 297 356 343 0.961 32.08 -0.4 97 97 95 98 355 48.4 2.743 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2331 1672.9 9.3 scans 53% 57 m/z 0.26% 0.151% 4802 1.5 243 196209 8284065 7860031 1-1 19: 57 71 43 85 149 41 56 183 55 99 70 113 69 182 42 123 141 97 51 0.724 32.24 -0.2 91 96 77 93 226 10.9 0.201 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4397 1681.6 9.4 scans 71% 57 m/z (119) 0.29% 0.197% 4837 0.8 267 176671 10856343 9790227 1-2 20: 57 71 85 56 43 41 197 55 196 99 113 69 70 127 141 83 111 42 97 168 0.969 32.44 -0.1 87 90 94 91 226 10.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 32.5643 1686.8 7.3 scans 44% 71 m/z 0.83% 0.0312% 4858 1.1 149 62766 1712993 1645349 1-0 18: 71 57 85 43 99 113 41 127 55 69 84 155 70 86 254 72 141 126 0.870 24.54 549.5 71 95 87 94 169 21.5 2.074 8.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 8.6 scans 66% 205 m/z 0.92% 0.166% 4876 1.0 280 56862 9133675 8284904 2-2 19: 205 119 91 105 93 43 159 79 107 162 147 187 77 41 121 131 106 67 145 0.880 32.67 -0.2 95 96 86 96 220 16.5 0.345 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8618 1699.3 7.9 scans 34% 70 m/z (149) 0.46% 0.0757% 4908 1.4 178 113443 4156413 3726329 9-2 3: 70 96 195 0.884 32.87 -0.2 76 84 84 85 186 0.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9291 1702.1 7.8 scans 55% 71 m/z (149) 0.12% 0.147% 4920 0.8 244 426842 8075806 7027237 3-7 13: 71 43 159 243 72 155 173 143 89 73 160 244 215 0.938 32.93 -0.2 95 96 94 100 243 35.8 2.162 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0855 1708.7 7.4 scans 43% 83 m/z (216) 1.8% 0.0477% 4947 0.9 153 27752 2618661 2443903 1-3 20: 83 97 55 111 57 69 43 70 41 56 84 71 85 125 82 98 42 68 112 54 0.930 33.09 0.0 90 94 96 97 224 7.2 0.222 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 7.6 scans 69% 57 m/z (86) 0.22% 0.171% 4984 0.8 275 228630 0.198% 9431515 8986450 10860475 0-1 20: 57 71 43 85 41 56 55 99 70 42 226 113 69 84 83 112 98 72 58 140 0.968 33.37 -2.8 88 94 94 94 226 31.1 1.285 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8335 1727.4 7.9 scans 9.2% 217 m/z (91) 1.7% 0.00924% 5072 1.0 65 29514 507085 480527 2-2 4: 217 232 218 189 0.758 33.83 452.7 67 92 61 94 232 28.4 19.045 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8913 1728.2 7.5 scans 51% 71 m/z (247) 0.78% 0.0642% 5083 1.0 171 66440 3522004 3096192 10-1 20: 71 57 43 85 70 197 55 41 99 56 127 113 168 141 72 42 196 240 84 167 0.955 33.90 -0.1 91 94 95 99 197 31.0 3.309 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.9 scans 48% 57 m/z (173) 0.63% 0.0659% 5147 1.1 172 82869 3618436 3427420 1-1 17: 57 71 85 43 41 211 98 182 210 141 56 42 70 127 72 183 44 0.950 34.27 0.1 90 92 91 98 211 29.1 2.855 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3707 1735.1 8.3 scans 95% 355 m/z 0.015% 3.36% 5164 0.7 1230 3316309 184578494 175689335 2-2 20: 355 73 221 147 281 401 357 222 415 402 327 267 403 283 74 148 223 385 325 416 0.995 34.39 452.1 81 100 99 100 415 148.1 1.452 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8099 1741.4 16.3 scans 88% TIC 0.028% 1.73% 5238 0.3 677 1820472 95005614 93805454 1-0 0.987 34.79 452.4 81 100 98 100 199 186.6 7.598 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9020 1742.7 8.0 scans 40% 68 m/z (43) 0.56% 0.114% 5254 1.3 215 93279 6272281 5505266 2-3 5: 68 69 111 126 224 0.960 34.90 -0.0 93 96 97 99 224 26.8 1.553 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6848 1753.9 9.1 scans 36% 123 m/z (113) 0.47% 0.0979% 5387 1.0 189 109435 5374047 4994794 5-2 13: 123 124 105 209 194 149 189 121 122 165 167 151 131 0.952 35.70 451.2 69 91 83 93 224 13.1 0.483 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9280 1757.3 >10 scans 44% TIC 0.32% 0.0911% 5428 1.0 252 162969 0.173% 4997636 4702250 9489203 1-0 0.755 35.94 450.9 74 96 74 95 238 8.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5100 1765.7 7.3 scans 44% 221 m/z 0.19% 0.206% 5526 1.0 320 262119 11307901 10615278 2-3 19: 221 73 147 207 295 222 281 369 223 341 296 148 282 327 208 355 370 149 342 0.857 36.58 449.2 78 99 94 99 369 48.5 2.290 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1984 1775.5 8.5 scans 11% 209 m/z (71) 1.8% 0.0178% 5643 1.0 88 29075 978387 940481 1-1 15: 209 224 181 178 165 193 166 89 179 103 194 189 191 76 175 0.667 37.20 449.2 67 92 75 97 224 27.0 9.416 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3005 1777.0 9.0 scans 65% 71 m/z (98) 0.33% 0.202% 5660 1.2 274 157546 0.288% 11115931 10226683 15797055 0-4 20: 71 85 57 43 99 113 127 41 55 69 169 155 70 56 126 141 211 111 112 72 0.974 38.91 -23.0 78 82 94 82 254 0.0 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 8.2 scans 69% 57 m/z 0.25% 0.139% 5788 1.0 273 202427 7676436 7166756 1-2 19: 57 71 85 43 56 41 225 99 55 224 113 69 127 70 141 98 83 126 155 0.946 38.06 448.1 78 99 94 98 225 48.8 3.196 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5685 1795.1 9.2 scans 92% 73 m/z 0.030% 1.59% 5875 1.2 787 1697712 87318952 82888336 2-2 20: 73 147 429 221 355 430 281 341 207 401 74 342 295 267 325 223 432 459 75 149 0.990 38.59 447.0 81 100 99 100 429 221.6 7.935 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8047 1798.5 10.1 scans 50% 71 m/z (253) 0.50% 0.109% 5915 1.4 201 102868 6002939 5956795 0-1 19: 71 57 85 127 239 43 55 126 99 41 69 113 84 141 155 83 72 86 169 0.853 36.21 -52.4 66 86 87 85 240 17.1 0.000 2.594 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4493 1866.9 8.5 scans 25% 74 m/z (146) 1.7% 0.0256% 6024 1.3 103 29435 1405641 1280705 2-4 13: 74 87 143 75 60 185 129 101 157 256 229 199 88 0.881 39.45 505.4 71 96 89 99 256 13.0 1.604 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8041 1910.8 >7 scans 2.9% 237 m/z 0.22% 0.110% 6085 0.3 251 229724 0.436% 6073952 5744734 23914986 2-0 10: 237 280 223 264 265 163 147 251 106 210 0.089 40.66 530.3 65 90 8 88 278 69.5 7.678 -0.858 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.9003 1922.8 >22 scans 96% 68 m/z 0.015% 13.7% 6101 0.1 1735 3298993 14.1% 756127256 754502395 773397471 0-1 20: 68 123 82 81 69 67 55 83 43 57 41 97 109 124 71 111 79 110 56 53 1.000 39.94 553.7 81 100 100 100 278 113.8 0.431 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9475 1928.6 >6 scans 69% TIC 0.23% 0.169% 6109 1.8 343 221721 9297349 7524466 1-10 0.943 39.88 560.3 76 97 93 97 250 32.7 0.905 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 40.2096 1961.1 7.6 scans 11% 159 m/z (141) 6.7% 0.00785% 6153 1.0 57 7774 430857 362654 11-1 11: 159 119 105 161 120 187 160 145 132 106 162 0.786 40.24 587.2 64 92 63 90 272 6.4 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3295 1976.0 7.5 scans 50% 149 m/z (99) 0.16% 0.0835% 6173 1.1 198 319559 4581538 4260032 2-2 10: 149 150 223 104 76 167 205 50 224 132 0.918 40.31 601.1 75 98 92 99 223 40.3 4.143 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1110 Phytol 40.3962 1984.3 7.8 scans 52% 81 m/z (263) 0.44% 0.184% 6185 1.3 271 118611 10116816 9085614 4-5 12: 81 82 95 68 123 79 67 96 124 109 110 53 0.759 40.66 -32.9 84 92 73 94 278 31.3 1.337 -0.266 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6040 2010.0 7.7 scans 62% 221 m/z 0.32% 0.128% 6220 1.0 247 162659 7040972 6675942 2-3 20: 221 73 147 295 207 281 222 223 296 282 148 369 355 341 297 74 370 283 208 401 0.926 40.63 629.9 76 96 93 99 369 38.7 2.448 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1254 Phytol 40.8531 2040.9 7.7 scans 77% 82 m/z 0.37% 0.217% 6262 1.2 340 138630 11939478 11406752 1-2 19: 82 81 95 68 57 123 43 69 83 55 71 67 79 41 96 97 124 109 278 0.934 40.87 -1.8 99 100 94 99 278 41.0 1.448 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0066 2059.9 8.4 scans 53% 138 m/z 0.50% 0.101% 6288 1.1 219 104748 5583592 5167494 2-1 18: 138 109 120 69 121 124 83 92 139 65 82 262 93 95 81 67 68 39 0.868 41.00 674.1 78 100 94 99 262 27.0 1.518 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1199 2074.0 11.3 scans 46% 81 m/z (70) 1.1% 0.132% 6307 1.0 207 46780 7244100 6636103 1-1 16: 81 67 79 55 121 82 95 96 68 253 91 80 247 77 124 110 0.765 41.13 686.2 68 95 66 92 262 35.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2492 2090.0 8.1 scans 65% 79 m/z 0.30% 0.203% 6329 1.1 315 172265 11154383 10230558 2-1 20: 79 67 93 95 80 55 91 108 121 81 41 77 94 107 135 59 87 78 105 53 0.850 41.26 -1.0 97 99 87 98 264 22.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4647 2116.7 9.1 scans 71% 205 m/z 0.14% 0.670% 6365 0.5 524 364163 36771120 35634893 2-1 20: 205 57 217 175 189 220 177 55 232 91 191 261 203 192 77 115 218 233 135 176 0.821 41.49 -79.9 84 99 81 98 276 36.7 0.489 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5686 2123.8 8.0 scans 31% 187 m/z (197) 1.5% 0.0430% 6383 1.3 138 32777 0.0532% 2359860 2218992 2918067 1-0 14: 187 159 119 160 91 188 272 161 145 146 131 147 173 225 0.874 41.76 726.1 72 95 82 98 272 36.0 6.815 -0.192 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6270 2127.1 9.1 scans 43% 71 m/z (97) 0.60% 0.113% 6393 0.6 196 86406 6251829 5779434 1-2 19: 71 85 57 43 99 113 127 155 84 141 197 169 70 125 86 114 56 111 72 0.710 41.48 8.1 68 74 79 76 268 1.9 0.000 0.144 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0113 2148.7 8.1 scans 90% 74 m/z 0.025% 1.45% 6458 0.7 821 2029717 79640764 75086095 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 83 59 97 101 185 199 71 241 84 0.965 42.01 746.7 80 100 97 100 272 20.6 0.063 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1253 2155.1 10.2 scans 40% TIC 1.0% 0.0745% 6477 1.6 174 52012 4087972 3766424 1-2 0.583 42.05 4.5 77 79 48 77 272 27.9 2.565 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3360 2166.9 7.8 scans 80% 73 m/z 0.14% 0.263% 6513 1.0 349 365587 14440710 13769561 2-3 20: 73 147 281 221 355 429 207 341 503 356 222 74 148 430 504 283 415 431 295 505 0.967 42.37 757.9 76 94 96 99 503 54.2 2.410 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.3703 2168.8 9.6 scans 12% 120 m/z (73) 7.3% 0.0182% 6519 0.9 82 7112 1000497 902209 1-2 5: 120 140 161 92 173 0.708 42.40 -1.6 64 76 44 71 272 5.4 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9889 2203.5 7.8 scans 62% 82 m/z (208) 0.35% 0.0732% 6624 1.1 182 147688 4020033 3731733 3-2 12: 82 81 95 292 109 96 137 94 147 53 108 153 0.936 43.03 781.4 66 93 90 95 292 20.1 1.212 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1613 2213.2 8.6 scans 10% 187 m/z (57) 6.6% 0.00877% 6653 0.7 57 7860 481329 406640 3-1 10: 187 272 117 161 119 105 134 162 159 160 0.545 43.24 -4.2 80 94 56 93 272 14.9 6.828 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8508 2251.9 8.5 scans 55% 71 m/z (96) 1.3% 0.0442% 6770 1.1 133 37651 2425020 2195532 1-4 20: 71 57 85 127 43 267 99 55 113 126 69 41 70 141 169 84 72 239 42 56 0.945 43.94 -4.8 63 63 85 82 282 4.7 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1238 ?? Trachylobane 44.1353 2268.2 8.0 scans 17% 135 m/z (83) 21% 0.00514% 6818 1.2 46 2489 282238 242975 1-3 18: 135 105 95 120 237 216 149 121 147 109 93 81 134 137 119 106 77 136 0.654 44.15 -1.1 66 87 57 88 272 6.6 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN N419_R~1-N1158 ?? Manool oxide 44.2823 2276.6 9.3 scans 15% 275 m/z (221) 10% 0.0138% 6842 0.8 72 5235 759528 676594 2-1 18: 275 108 125 96 121 191 161 136 67 107 93 95 122 269 245 342 79 68 0.740 43.83 839.0 66 96 71 93 275 19.2 7.068 0.455 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1625 2327.3 8.6 scans 80% 137 m/z 0.54% 0.269% 6992 1.1 338 95296 14788585 13493029 2-5 20: 137 81 95 69 93 55 71 79 109 107 123 257 43 41 67 121 91 80 105 136 0.913 44.90 15.1 84 84 81 84 272 24.0 0.502 0.262 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7895 2363.4 7.9 scans 76% 73 m/z (249) 0.33% 0.123% 7098 0.9 234 154841 6763950 6139006 2-2 20: 73 355 147 221 281 356 357 207 222 429 74 148 208 341 295 283 267 325 279 401 0.920 45.78 0.8 97 99 93 99 503 19.8 0.715 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9181 2370.8 17.8 scans 19% 74 m/z (249) 2.8% 0.0103% 7120 1.0 65 18527 0.0182% 566733 532077 998286 2-0 10: 74 87 298 199 143 255 88 213 157 241 0.815 45.92 892.1 64 89 62 87 298 12.9 4.010 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1011 2381.3 8.3 scans 80% 79 m/z (84) 0.23% 0.355% 7151 1.0 379 227265 19513680 17731746 1-5 20: 79 67 93 95 108 80 81 91 55 41 94 107 121 77 135 78 59 149 122 136 0.968 46.13 -1.9 94 95 94 99 292 26.9 0.502 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN HCMIX_~1-N1022 ? Henicosane 46.6212 2411.2 8.2 scans 45% 57 m/z (98) 2.8% 0.0195% 7239 1.0 92 18468 1069893 983303 4-1 20: 57 85 71 43 99 113 169 127 69 154 155 112 110 141 41 83 55 100 183 197 0.885 46.28 19.5 71 78 80 76 296 0.0 0.000 0.339 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7570 2419.0 8.0 scans 60% 74 m/z (92) 0.89% 0.0415% 7262 1.2 136 58622 2279198 2088899 2-6 14: 74 87 75 143 298 255 88 267 97 269 59 101 199 129 0.944 46.76 923.9 75 98 93 97 298 23.7 3.046 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4996 2461.8 8.0 scans 56% 138 m/z 1.2% 0.0293% 7388 0.9 118 43210 1607967 1517157 1-4 12: 138 120 121 139 111 70 56 306 92 168 65 307 0.796 47.50 949.0 77 97 78 96 168 15.6 1.763 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6956 2473.1 7.2 scans 54% 221 m/z (155) 2.1% 0.0183% 7421 1.0 95 24688 1008433 963236 1-3 20: 221 73 147 295 369 281 222 207 356 341 370 355 148 282 74 283 279 371 149 208 0.838 44.32 1025.8 72 97 91 98 369 20.9 4.865 3.376 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9341 2544.4 8.3 scans 79% TIC 0.55% 0.0688% 7631 1.1 178 94647 3778512 3506855 2-5 0.899 48.95 994.0 74 93 92 99 429 45.7 6.579 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8521 2712.2 8.0 scans 68% 73 m/z 1.1% 0.0321% 8126 1.2 119 47203 1765252 1659487 1-4 19: 73 147 221 355 281 503 356 207 429 222 295 430 148 74 431 342 504 223 415 0.795 51.86 1081.3 77 100 81 98 503 17.5 2.157 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1234 771.6 4.7 scans 88% 77 m/z (74) 0.052% 0.174% 40 3.0 306 1034297 9780305 8007243 1-7 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 58 64 65 0.995 4.37 17.6 99 100 100 100 77 260.7 72.426 -0.248 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1536 824.5 14.7 scans 52% 57 m/z (56) 1.1% 0.0183% 384 0.3 77 46737 0.0257% 1028666 920684 1440971 2-0 10: 57 87 41 102 45 59 85 58 39 86 0.922 6.03 -137.1 69 91 90 95 102 9.8 1.616 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5461 834.7 16.9 scans 58% 207 m/z 0.55% 0.0461% 451 2.9 102 97115 2586542 2356650 2-1 18: 207 208 209 191 133 194 119 97 147 161 210 192 179 165 115 178 134 135 0.662 6.53 -142.1 78 100 82 99 207 79.9 60.858 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6518 863.5 8.2 scans 81% 55 m/z 1.4% 0.0473% 638 1.8 142 36068 0.0659% 2655959 2484740 3694940 2-0 20: 55 41 69 83 39 42 57 98 70 97 56 53 43 80 79 54 81 77 68 40 0.950 7.71 8.2 99 99 94 99 98 33.4 5.547 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2174 982.3 8.0 scans 72% 43 m/z (68) 0.54% 0.0709% 1411 1.7 165 98855 3975530 3682290 1-6 15: 43 71 41 265 55 108 133 111 191 134 284 72 69 251 126 0.895 12.22 36.0 89 94 45 100 281 80.6 23.747 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6637 994.0 9.2 scans 83% 81 m/z 0.17% 0.163% 1487 1.9 236 306258 9191640 8637541 1-2 19: 81 110 53 39 67 41 79 68 65 77 51 82 95 50 66 54 40 62 109 0.947 13.22 30.4 95 96 92 99 110 69.8 8.781 -0.558 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9246 1000.8 7.8 scans 52% 43 m/z (59) 3.9% 0.0188% 1531 1.3 85 13680 1057577 952334 1-3 18: 43 84 57 41 44 69 42 45 85 72 56 68 101 82 71 95 83 75 0.824 12.96 -174.0 66 96 88 96 110 7.1 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1040 ?? Decane 13.6354 1020.0 7.4 scans 65% 71 m/z (74) 2.7% 0.0134% 1651 1.3 76 19980 751942 677847 3-6 12: 71 57 43 113 70 41 112 55 85 56 84 72 0.960 12.90 20.0 68 71 81 73 142 0.0 0.000 0.737 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1016 Limonene 13.8981 1027.1 8.3 scans 69% TIC 0.71% 0.0780% 1696 1.2 189 75533 4374401 4197013 1-1 0.803 13.89 51.8 85 96 89 98 136 35.6 3.529 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0817 1032.1 9.7 scans 91% 79 m/z 0.11% 0.428% 1727 1.5 375 456149 24035327 21914678 2-4 20: 79 108 107 77 51 91 78 50 80 90 89 65 63 109 39 52 53 105 74 62 0.990 14.11 53.1 93 100 99 100 108 165.9 19.595 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4418 1041.9 9.1 scans 86% 91 m/z 0.098% 0.209% 1788 1.4 272 545253 11739420 10119145 3-5 20: 91 92 120 65 63 39 89 51 50 62 121 90 64 74 93 122 38 66 61 52 0.972 14.44 57.1 91 100 98 100 120 87.7 10.431 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0085 1057.2 7.5 scans 43% 70 m/z (82) 3.0% 0.0168% 1884 1.3 85 17408 0.0226% 944506 835592 1267157 2-0 17: 70 83 55 41 69 42 67 97 56 53 93 68 58 84 79 98 81 0.877 18.83 4.5 76 80 80 84 122 3.3 0.000 -3.821 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1709 1061.6 >11 scans 84% 105 m/z 0.14% 0.195% 1911 0.9 263 370323 10936682 9973316 2-1 20: 105 77 123 51 46 106 50 94 109 124 78 67 75 66 76 52 79 38 39 80 0.949 15.17 64.2 89 100 98 100 123 93.8 12.723 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 15.2051 1062.6 14.9 scans 11% 122 m/z (105 71) 2.7% 0.0247% 1917 2.1 78 19803 1387145 1277141 1-1 1: 122 0.883 20.03 -8.1 77 84 67 86 122 29.6 14.493 -4.824 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN 98-86-2 ? Acetophenone 15.2689 1064.3 9.2 scans 86% 105 m/z 0.044% 0.559% 1928 1.0 477 1208909 31388738 29047989 1-3 20: 105 77 120 51 50 106 78 43 74 121 76 75 63 39 65 52 62 91 38 89 0.990 15.29 -181.4 79 98 98 99 120 167.8 12.379 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4247 1068.5 8.6 scans 72% 95 m/z 0.12% 0.276% 1955 1.4 326 440866 15484032 13631898 2-6 20: 95 81 124 79 43 53 109 39 41 82 65 96 66 55 67 51 80 125 54 52 0.931 15.43 66.8 86 96 88 98 124 97.7 8.992 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1012 ?? Nicotine 16.2317 1090.4 8.8 scans 4.6% 133 m/z 11% 0.000490% 2091 0.8 18 4858 27458 25068 1-1 10: 133 148 117 105 103 115 106 134 119 58 0.300 25.78 -64.9 65 100 100 100 162 0.0 0.000 -9.546 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1002 Undecane 16.5953 1100.4 10.1 scans 64% TIC 1.0% 0.0418% 2153 1.0 131 51029 2348395 2124934 2-1 0.812 16.59 0.4 81 84 83 85 156 3.4 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7760 1108.0 8.7 scans 82% 57 m/z (127) 0.36% 0.222% 2183 1.0 275 147924 12502679 10896108 3-6 20: 57 41 56 55 43 98 44 70 69 82 68 95 67 81 96 39 42 54 114 45 0.966 16.82 85.6 79 97 95 98 124 16.7 0.367 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9613 1115.8 8.5 scans 79% 71 m/z 0.15% 0.250% 2215 1.1 320 338783 14048866 12278064 2-8 19: 71 95 43 110 58 128 41 85 55 84 57 69 72 70 68 56 42 113 59 0.960 16.97 91.1 81 98 96 99 128 79.6 6.182 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0493 1119.5 9.1 scans 87% 91 m/z 0.047% 0.517% 2230 1.2 436 1139043 29027569 25742646 7-5 20: 91 92 122 65 77 63 51 93 89 39 78 103 104 123 50 62 90 52 64 66 0.992 17.05 93.5 82 100 98 100 122 146.7 11.327 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0670 1162.5 9.1 scans 62% 73 m/z 0.58% 0.0635% 2402 1.4 152 91673 3560589 3207431 7-2 20: 73 355 267 356 268 357 269 251 323 74 193 339 192 358 119 249 75 170 270 265 0.886 18.13 -169.2 79 99 83 98 355 67.8 19.762 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7040 1189.4 8.3 scans 66% 98 m/z 1.3% 0.0470% 2510 1.0 149 39528 2636762 2522404 1-1 20: 98 55 69 111 82 43 41 67 125 39 97 70 79 107 95 83 126 81 80 53 0.866 18.71 138.6 78 100 89 99 153 6.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1190 1207.0 8.4 scans 52% 82 m/z 0.94% 0.0232% 2580 1.2 105 57027 1302557 1135659 2-2 17: 82 81 43 39 54 41 83 53 107 55 97 69 38 121 52 42 58 0.900 19.12 149.9 74 95 92 99 97 17.0 2.623 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2465 1212.3 9.4 scans 10% 119 m/z (71 115) 4.1% 0.00589% 2602 1.0 47 12900 330751 302706 2-1 3: 119 91 134 0.787 13.76 12.8 75 84 67 86 134 18.2 15.266 5.489 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8014 1235.8 9.6 scans 65% 57 m/z (43) 0.45% 0.0950% 2696 1.8 174 118568 5330044 4890480 8-3 19: 57 45 41 75 56 87 72 101 89 100 44 58 59 73 85 60 132 55 61 0.959 19.81 168.3 75 98 95 99 144 4.6 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.3404 1258.3 11.2 scans 66% 57 m/z (105) 0.80% 0.0626% 2787 0.6 140 66659 3514026 3275938 4-2 20: 57 85 71 43 41 127 56 99 141 55 113 84 69 70 86 132 98 42 83 58 0.847 33.32 -8.7 78 83 87 87 226 0.0 0.000 -12.979 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3404 1258.3 11.2 scans 45% 57 m/z 0.76% 0.0384% 2787 0.6 116 70588 2153570 2007659 4-2 20: 57 85 71 43 41 127 56 99 141 55 113 84 69 70 86 132 98 42 83 58 0.642 20.32 0.6 81 84 63 81 170 2.9 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1034 Decanal 20.5234 1263.8 8.2 scans 84% TIC 0.49% 0.176% 2818 0.8 272 108759 9873089 8884898 3-1 0.982 20.57 -143.2 80 99 99 99 138 14.6 0.288 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9384 1276.3 11.3 scans 50% 94 m/z (137) 0.35% 0.0780% 2889 1.6 149 153725 4377642 4105622 6-2 4: 94 138 66 139 0.949 20.98 191.3 76 97 92 98 152 5.0 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9933 1277.9 8.5 scans 79% 137 m/z (61) 0.27% 0.263% 2898 1.0 319 195015 14796927 13369728 3-8 17: 137 152 109 123 81 67 91 79 93 41 119 107 53 55 39 153 124 0.990 21.00 192.6 62 84 81 84 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1367 1282.2 8.8 scans 10% 281 m/z (74) 1.9% 0.0109% 2922 1.9 60 27707 611291 585228 1-2 12: 281 207 151 283 284 193 251 267 282 223 179 152 0.776 12.25 129.1 72 95 66 96 281 42.7 50.215 8.886 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1042 ? Phytol 21.2743 1286.3 8.4 scans 40% 56 m/z (135) 3.6% 0.0248% 2946 0.9 93 14921 1390664 1139344 10-3 5: 56 57 70 71 111 0.924 35.35 -11.1 78 85 85 84 196 0.0 0.000 -14.073 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0098 1308.4 8.2 scans 68% 175 m/z 0.035% 0.516% 3070 0.9 469 1539759 28971048 26615799 4-3 20: 175 57 190 176 91 147 115 117 105 66 191 77 80 128 119 79 131 159 64 129 0.897 22.01 208.0 80 100 91 100 190 129.9 7.666 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9059 1335.3 9.0 scans 46% 109 m/z (71) 0.15% 0.294% 3222 1.1 321 359331 16510860 15088647 3-4 7: 109 69 86 110 128 95 170 0.933 22.91 221.7 70 94 85 93 127 39.8 1.537 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.1415 1342.4 >21 scans 78% 60 m/z (130) 0.20% 0.589% 3262 0.1 337 265044 33047499 30377792 1-3 20: 60 73 57 115 41 55 129 43 69 98 87 56 61 42 45 74 39 96 101 83 0.958 25.35 193.2 75 96 95 99 162 0.0 0.000 -2.213 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.1415 1342.4 >21 scans 75% 60 m/z 0.20% 0.505% 3262 0.1 331 267562 28330354 26041716 1-3 20: 60 73 57 115 41 55 129 43 69 98 87 56 61 42 45 74 39 96 101 83 0.980 22.70 -132.9 77 95 95 99 158 23.1 0.486 0.445 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8298 1363.0 10.5 scans 55% 57 m/z (72) 0.65% 0.0880% 3378 1.1 158 82342 4937084 4495046 1-2 13: 57 71 85 69 41 70 84 55 83 56 184 42 153 0.887 23.86 -1.0 84 91 83 88 184 17.8 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0813 1371.3 7.3 scans 64% 73 m/z 0.18% 0.167% 3421 0.9 285 285115 9368016 8737723 2-5 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 75 251 432 45 311 148 0.928 24.17 -152.5 79 99 92 99 429 86.7 9.248 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5406 1386.7 7.6 scans 85% 71 m/z (45) 0.22% 0.199% 3499 1.1 299 242510 11213541 10441273 1-3 20: 71 57 85 43 41 84 70 55 127 113 99 56 69 155 42 112 126 72 86 83 0.992 24.54 249.4 76 97 98 100 169 29.4 0.971 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6793 1391.3 7.5 scans 55% 43 m/z (159) 1.2% 0.0308% 3522 1.1 122 42452 0.0436% 1731960 1648910 2444604 1-0 20: 43 83 41 82 142 58 55 69 56 85 113 111 39 127 70 71 67 100 108 68 0.903 24.70 251.7 69 91 87 98 170 4.2 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1032 ?? Dodecane 25.5058 1418.9 10.4 scans 17% 57 m/z (84) 1.3% 0.0248% 3662 1.0 86 38810 1390972 1214855 5-1 7: 57 85 113 70 126 127 154 0.597 20.36 18.7 62 76 62 74 170 3.5 0.000 5.148 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5335 1419.8 12.7 scans 55% 84 m/z (57) 0.38% 0.113% 3666 1.2 169 140755 6368553 5960549 6-2 18: 84 133 162 161 117 42 119 118 82 92 65 52 131 120 104 51 149 106 0.912 25.89 262.8 70 93 85 93 162 42.0 6.199 -0.358 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0867 1471.7 6.6 scans 46% 221 m/z 1.4% 0.0212% 3930 1.0 107 38130 1190200 1124277 1-2 18: 221 73 147 281 222 267 355 223 148 282 443 356 268 149 283 357 269 74 0.897 27.12 296.8 76 97 85 96 355 20.3 3.594 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1669 1474.4 8.0 scans 75% 57 m/z (132) 0.39% 0.104% 3944 1.0 209 138108 0.162% 5850336 5459812 9083160 2-0 20: 57 71 85 43 41 56 55 198 70 99 84 126 42 69 98 113 127 199 39 83 0.974 27.21 -1.4 95 98 97 98 198 23.0 1.213 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2077 1513.3 8.0 scans 24% 121 m/z (85) 2.9% 0.0191% 4120 0.8 85 18562 1076239 924581 1-8 13: 121 161 93 123 179 176 136 194 119 124 107 105 167 0.841 27.02 339.9 61 85 61 87 208 1.9 0.000 1.191 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3795 1519.8 8.9 scans 12% 80 m/z 2.1% 0.00737% 4149 0.9 56 25289 413373 375569 1-2 7: 80 171 165 170 78 172 164 0.333 28.39 326.4 63 93 63 91 171 29.1 26.760 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6564 1530.2 8.7 scans 56% 43 m/z (166) 0.21% 0.177% 4196 1.1 271 246144 0.224% 9977075 9100449 12559432 0-2 20: 43 69 41 151 136 107 67 93 125 121 109 53 108 68 39 83 79 81 77 161 0.897 28.67 332.8 74 99 95 99 194 21.8 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0944 1546.7 7.8 scans 72% TIC 0.14% 0.292% 4270 1.1 398 385435 0.449% 16385348 15312506 25174932 2-0 0.941 29.09 343.0 75 96 91 95 220 44.7 1.257 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5129 1562.4 7.9 scans 92% TIC 0.022% 2.16% 4341 0.9 989 2347300 121339659 110742877 2-2 0.982 29.61 -150.7 79 99 96 99 503 168.3 2.900 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7727 1572.2 7.8 scans 65% 123 m/z 0.023% 0.600% 4385 0.8 524 2271489 33663793 31452733 1-3 20: 123 135 124 107 95 91 79 109 77 39 81 93 125 53 67 97 105 193 65 165 0.837 29.77 358.2 78 98 80 98 193 47.3 0.812 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9468 1578.7 8.8 scans 81% TIC 0.060% 0.786% 4414 0.8 556 897045 44091472 40946126 1-2 0.925 29.94 362.3 77 98 93 98 254 15.2 0.075 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1706 1587.1 8.0 scans 65% 57 m/z 0.25% 0.150% 4452 1.1 285 211467 0.255% 8416710 8416710 14297567 0-0 20: 57 85 71 43 99 41 113 55 84 70 127 56 69 98 155 183 83 112 141 42 0.919 30.38 -7.8 81 84 90 85 212 3.0 0.000 -0.206 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5059 1600.3 8.2 scans 89% 191 m/z 0.013% 1.35% 4509 0.9 772 3880330 76217692 69944183 2-4 20: 191 206 192 57 163 91 175 115 41 207 88 147 128 161 133 105 121 119 193 135 0.992 30.50 375.5 81 100 99 100 206 208.0 7.260 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8347 1614.1 8.1 scans 40% 124 m/z (71) 0.91% 0.0441% 4565 1.0 134 58936 2474412 2222849 3-3 5: 124 137 180 54 138 0.961 30.81 384.7 72 93 91 95 180 36.6 7.433 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8819 1616.1 9.0 scans 32% 162 m/z 1.0% 0.0413% 4573 1.0 134 53176 2317817 2099449 1-2 16: 162 161 147 119 134 204 105 91 165 148 133 163 189 77 145 149 0.746 30.88 0.1 85 89 65 89 204 28.7 4.568 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2432 1631.3 12.3 scans 75% TIC 0.044% 1.21% 4634 0.5 615 1212568 1.43% 67876329 63503120 80178515 2-0 0.885 31.18 396.3 77 97 85 98 180 139.8 5.170 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5053 1642.3 9.5 scans 59% 43 m/z (113) 0.51% 0.103% 4679 1.4 192 104579 5818031 5491768 1-1 20: 43 85 98 166 111 127 55 84 99 83 82 68 69 56 67 123 126 39 53 183 0.935 31.52 -0.4 87 91 88 93 166 31.7 2.734 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7928 1654.4 8.5 scans 12% 193 m/z (57) 1.9% 0.0100% 4727 1.0 64 28151 561605 531098 1-3 5: 193 194 208 175 195 0.607 31.80 -0.1 67 78 34 81 208 15.9 6.257 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9191 1659.7 8.0 scans 59% 71 m/z (143) 0.78% 0.0965% 4749 0.5 187 68365 5414436 5095245 2-1 20: 71 57 83 85 82 43 55 41 69 99 113 70 84 127 56 155 126 67 97 111 0.948 31.92 0.0 76 80 89 86 219 3.2 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0696 1666.0 6.9 scans 42% 221 m/z 0.63% 0.0457% 4774 1.0 154 84977 2565558 2426627 3-3 19: 221 73 147 295 222 207 341 223 267 281 296 74 148 325 208 355 265 297 282 0.946 32.08 -0.4 96 97 90 97 355 26.5 2.974 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2343 1673.0 8.8 scans 54% 57 m/z 0.30% 0.135% 4802 1.5 224 174211 7610879 7173739 1-1 20: 57 43 71 85 41 149 183 56 99 105 55 113 77 182 70 42 69 100 141 83 0.758 32.24 -0.1 90 93 75 92 226 11.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4356 1681.4 10.6 scans 62% 57 m/z (105) 0.47% 0.135% 4836 1.0 210 114819 7623958 7000164 0-2 20: 57 85 71 56 43 197 41 196 55 113 99 70 83 69 111 141 39 153 122 67 0.912 32.44 -0.3 82 89 89 90 226 8.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6730 1691.4 8.7 scans 75% 205 m/z (191) 1.0% 0.199% 4876 1.0 279 53027 11197643 10465265 1-1 20: 205 119 91 105 43 93 159 79 107 162 131 147 77 41 187 135 106 146 67 81 0.970 32.67 -0.1 94 95 93 98 220 15.5 0.308 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8754 1699.9 >9 scans 41% TIC 0.83% 0.0545% 4911 0.7 175 64400 0.126% 3058572 2698890 7064680 10-0 0.752 32.87 0.4 70 79 71 84 186 5.1 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9292 1702.1 8.0 scans 51% 71 m/z (177) 0.14% 0.123% 4920 0.8 218 360136 6933989 6075259 3-7 12: 71 43 159 111 243 72 155 143 173 73 89 244 0.948 32.93 -0.2 94 96 90 99 243 33.3 2.330 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0874 1708.8 7.5 scans 35% TIC 1.9% 0.0161% 4946 1.1 125 27684 905724 885880 0-1 0.746 33.09 0.1 87 92 76 92 224 6.7 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3070 1718.0 7.4 scans 68% 57 m/z (167) 0.29% 0.142% 4984 0.7 244 184692 7963855 7481493 2-1 18: 57 71 43 85 41 55 99 56 70 226 113 42 84 98 141 112 58 72 0.964 33.37 -2.8 92 97 96 97 226 28.6 1.369 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8914 1728.2 7.6 scans 55% 71 m/z (128) 0.72% 0.0639% 5083 1.2 171 74523 0.0659% 3583099 3498855 3694940 4-1 20: 71 43 57 85 70 197 41 55 99 168 56 196 113 127 69 84 141 42 140 240 0.919 33.90 -0.1 90 95 94 98 197 32.2 3.551 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2710 1733.6 7.5 scans 40% 57 m/z (129) 0.93% 0.0460% 5147 1.1 141 57912 2583972 2328524 1-1 14: 57 71 43 85 211 41 98 210 182 162 183 141 96 127 0.867 34.27 0.0 89 92 90 97 211 25.2 3.197 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3832 1735.2 9.5 scans 96% 73 m/z 0.012% 4.56% 5166 0.5 1329 4204766 255992752 246892905 2-1 20: 73 221 147 357 401 327 267 207 223 403 416 325 339 341 328 191 133 265 205 45 0.997 34.39 452.2 81 100 99 100 415 162.5 1.496 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8259 1741.6 16.1 scans 90% 91 m/z 0.031% 1.72% 5241 0.3 646 1739698 96606015 92873559 1-1 20: 91 155 199 90 65 184 89 92 120 44 137 106 77 39 64 156 134 51 78 62 0.995 34.79 452.6 80 99 98 99 199 181.9 7.936 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9156 1742.9 15.3 scans 46% TIC 0.70% 0.0570% 5256 1.2 201 76963 0.0809% 3196107 3196107 4535973 0-0 0.906 34.90 0.2 95 97 96 98 224 22.2 1.222 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6890 1753.9 9.2 scans 43% 123 m/z (71) 0.33% 0.130% 5387 1.2 213 160193 7333505 6507331 5-3 16: 123 193 124 175 91 131 77 195 194 133 121 149 147 93 107 211 0.967 35.70 451.2 68 90 86 93 224 12.1 0.322 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9322 1757.4 >10 scans 58% TIC 0.29% 0.150% 5428 1.0 289 184516 0.271% 8434353 7973342 15194670 1-0 0.872 35.94 451.0 74 96 80 95 238 7.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5160 1765.8 7.0 scans 13% 221 m/z 0.65% 0.0546% 5527 1.0 166 82469 3066086 2856850 2-3 18: 221 73 147 295 207 281 222 369 223 341 296 148 297 74 327 282 343 325 0.714 36.58 449.3 76 99 86 98 369 26.9 2.620 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2008 1775.6 8.6 scans 11% 209 m/z (71) 2.0% 0.0183% 5643 1.0 85 26360 1028757 948453 3-1 12: 209 224 181 210 165 194 103 166 178 189 115 116 0.768 37.20 449.3 63 85 73 97 224 25.3 8.860 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3023 1777.0 9.4 scans 65% 71 m/z (246) 0.36% 0.208% 5661 1.0 262 149330 0.296% 11665644 10454698 16596392 0-4 20: 71 85 57 43 113 99 127 55 41 69 84 169 155 70 56 141 111 112 126 197 0.968 38.91 -23.0 80 85 94 85 254 3.3 0.000 -1.608 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0574 1787.8 8.3 scans 62% TIC 0.32% 0.0979% 5788 1.1 240 167655 5494535 5118927 1-1 0.917 38.06 448.1 78 99 92 98 225 44.6 3.443 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5692 1795.1 9.3 scans 90% 73 m/z 0.036% 1.40% 5875 1.2 730 1473768 78689777 72576901 2-3 20: 73 429 147 221 281 341 431 207 222 357 74 148 342 267 295 325 223 432 343 402 0.987 38.59 447.0 80 99 98 99 429 214.3 8.620 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8083 1798.5 11.4 scans 46% TIC 0.53% 0.0656% 5916 1.5 183 101472 3678499 3468902 1-1 0.749 36.21 -52.4 65 88 78 85 240 17.4 0.000 2.597 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1300 1827.3 9.1 scans 14% 159 m/z (213) 5.9% 0.0113% 5970 0.9 64 9125 638216 588384 4-0 10: 159 119 201 162 120 108 132 160 146 134 0.797 39.14 470.6 66 94 68 91 272 8.9 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4612 1868.3 8.9 scans 31% 143 m/z (146) 1.1% 0.0404% 6026 1.0 120 46121 2266619 2035704 2-4 14: 143 129 211 59 102 73 227 225 204 157 185 171 61 228 0.910 39.45 506.8 72 97 91 98 256 17.6 2.144 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9086 1923.8 >22 scans 95% TIC 0.017% 12.4% 6102 0.1 1610 3033229 13.0% 699532103 699532103 728895590 0-0 0.998 39.94 554.7 81 100 100 100 278 107.5 0.446 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9559 1929.7 >6 scans 69% 58 m/z (272) 0.21% 0.213% 6110 1.7 363 245939 11989001 11088708 0-3 18: 58 43 59 71 109 110 55 95 69 41 124 250 81 83 56 96 111 165 0.993 39.88 561.4 76 97 99 98 250 36.8 1.024 0.073 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 40.2156 1961.9 7.8 scans 16% 159 m/z (205) 4.6% 0.0126% 6154 0.9 75 11568 711021 663276 1-2 15: 159 119 105 161 253 120 132 160 131 146 147 145 106 133 129 0.861 40.24 588.0 69 95 74 93 272 8.9 1.441 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3360 1976.8 7.7 scans 47% 149 m/z (99) 0.15% 0.0863% 6174 1.1 194 358056 4839974 4495257 2-2 11: 149 150 223 104 76 167 205 132 50 224 75 0.821 40.31 601.9 74 98 87 99 223 42.3 4.748 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1110 Phytol 40.4022 1985.0 7.7 scans 67% 81 m/z (181) 0.30% 0.307% 6185 1.3 351 176954 17256288 15915228 3-3 12: 81 82 95 68 123 79 67 109 96 124 110 278 0.869 40.66 -32.2 89 94 86 95 278 39.6 1.270 -0.260 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6082 2010.5 7.2 scans 33% 221 m/z 1.0% 0.0325% 6221 1.1 128 50647 1826257 1703310 2-3 20: 221 73 147 295 281 207 222 369 296 223 282 148 355 74 370 297 267 283 341 208 0.884 40.63 630.4 73 97 86 98 369 22.2 3.013 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1254 Phytol 40.8591 2041.6 7.5 scans 77% 82 m/z 0.34% 0.259% 6263 1.2 355 157035 14554466 12993218 2-4 19: 82 81 95 68 123 57 43 71 69 83 55 67 79 41 96 109 97 124 278 0.949 40.87 -1.1 99 100 96 99 278 44.6 1.577 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BQLD_R~1-N1056 Homosalate 41.0161 2061.1 8.5 scans 68% 138 m/z 0.21% 0.245% 6289 0.9 328 252872 13757723 12712525 2-1 20: 138 109 120 69 121 124 83 139 82 65 92 41 55 262 81 93 95 68 67 39 0.941 41.00 675.3 80 100 98 100 262 42.0 1.634 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N407_R~1-N1144 ? Sclareoloxide 41.1129 2073.1 9.3 scans 66% 109 m/z (74) 0.46% 0.298% 6306 1.1 326 116710 16726158 15079548 1-2 20: 109 81 191 262 95 123 43 177 107 229 67 93 121 79 137 55 135 136 41 69 0.970 41.13 685.3 77 99 96 99 262 60.5 3.451 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2493 2090.0 8.0 scans 63% 79 m/z (169) 0.52% 0.152% 6329 1.1 255 103025 8569997 7968986 1-2 20: 79 67 93 95 80 91 108 55 121 41 77 81 94 107 135 87 78 59 105 66 0.973 41.26 -1.0 95 98 97 99 264 18.1 0.504 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4429 2114.0 8.2 scans 46% 205 m/z 0.41% 0.179% 6362 0.8 278 129407 10041175 9449558 2-2 16: 205 217 175 189 220 177 232 91 261 203 191 192 206 163 221 219 0.681 41.49 -82.6 81 97 67 96 276 21.9 0.620 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5734 2124.1 >9 scans 51% TIC 0.86% 0.0651% 6384 1.1 198 62272 0.149% 3653047 3421994 8354265 2-0 0.887 41.76 726.4 75 95 89 98 272 50.0 6.353 -0.188 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6277 2127.1 8.9 scans 48% 71 m/z (187) 0.57% 0.131% 6393 0.7 208 94325 7374713 6987982 1-0 19: 71 85 43 57 99 113 127 141 155 84 136 114 211 123 70 56 125 111 169 0.811 41.48 8.1 67 71 81 76 268 2.2 0.000 0.145 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0203 2149.2 8.4 scans 89% 74 m/z 0.024% 1.66% 6460 0.6 842 2176253 93337484 86671102 3-2 20: 74 87 143 43 55 75 227 41 270 69 57 129 83 239 59 97 171 101 88 199 0.967 42.01 747.2 80 99 97 99 272 22.7 0.073 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1578 2156.9 >10 scans 58% 229 m/z (257) 1.5% 0.0984% 6483 4.6 185 34432 0.169% 5520183 5244503 9475643 0-1 12: 229 201 106 173 145 95 129 130 67 79 202 78 0.817 42.05 6.3 75 78 74 82 272 22.7 1.495 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3438 2167.3 7.8 scans 63% 73 m/z 0.30% 0.127% 6515 1.1 240 178976 7144604 6734129 2-2 20: 73 147 281 221 355 429 503 207 282 341 356 430 283 148 504 74 222 415 342 505 0.926 42.37 758.3 75 95 92 98 503 40.8 2.901 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3703 2168.8 11.2 scans 12% 257 m/z (73) 6.4% 0.0224% 6519 1.5 87 8408 0.0267% 1256320 1192120 1497039 4-0 19: 257 161 177 91 168 81 169 79 107 141 57 77 120 154 128 83 43 41 119 0.737 42.40 -1.6 70 82 52 77 272 6.7 0.597 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9943 2203.8 8.0 scans 60% 82 m/z (85) 0.29% 0.0945% 6625 1.1 197 182325 5302934 4751997 4-2 9: 82 81 95 109 96 94 53 137 107 0.939 43.03 781.7 62 87 88 94 292 21.8 1.224 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.1496 2212.6 9.5 scans 40% 57 m/z (83) 1.2% 0.0593% 6651 1.2 141 43817 3326295 3128099 1-1 20: 57 85 71 56 253 41 141 69 113 68 81 252 155 99 70 128 111 84 160 94 0.629 42.99 9.0 66 74 26 70 272 20.4 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1655 2213.4 8.6 scans 19% 187 m/z (57) 3.1% 0.0218% 6654 0.7 90 16907 1223508 1144547 2-1 14: 187 161 134 119 105 272 252 204 145 188 163 92 273 108 0.760 43.24 -4.0 85 90 66 94 272 19.7 4.807 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2735 2219.5 9.2 scans 15% 159 m/z (160) 2.3% 0.0103% 6672 1.3 62 22852 579636 550066 1-1 13: 159 186 270 168 128 144 118 142 115 158 130 271 257 0.517 43.31 791.9 65 95 70 97 270 12.7 4.189 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2966 2220.8 8.8 scans 29% 132 m/z (159) 6.3% 0.0200% 6676 0.9 89 8450 1123571 1117963 0-1 18: 132 91 119 131 93 199 263 129 145 77 79 227 107 278 171 147 81 95 0.829 43.31 -0.6 69 76 63 75 278 6.2 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5333 2234.1 8.7 scans 31% 81 m/z (146) 3.4% 0.0192% 6716 0.8 88 15828 1080589 1053430 2-0 20: 81 121 216 217 134 133 272 161 93 79 137 149 123 95 92 215 153 109 83 201 0.761 43.55 -1.1 74 85 57 82 272 10.6 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1020 ? Icosane 43.8343 2251.0 >15 scans 45% 272 m/z (205) 1.1% 0.0546% 6768 0.7 126 47065 3063820 2840216 0-1 8: 272 86 111 112 211 100 168 139 0.740 43.94 -5.7 71 88 77 86 282 5.6 0.000 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1238 Trachylobane 44.1419 2268.5 8.1 scans 42% 81 m/z (129) 5.8% 0.0238% 6819 1.0 99 9245 1334734 1224665 2-2 19: 81 79 95 216 119 93 91 135 148 272 107 134 109 105 80 121 92 161 137 0.876 44.15 -0.8 90 98 86 97 272 12.8 1.688 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N419_R~1-N1158 ? Manool oxide 44.2753 2276.2 8.5 scans 60% 275 m/z (221) 1.8% 0.0667% 6842 1.0 163 28700 3745015 3484886 2-1 16: 275 257 81 192 137 177 95 67 109 149 191 123 258 121 107 276 0.941 43.83 838.6 76 99 93 98 275 41.0 6.321 0.448 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3019 2277.8 7.0 scans 22% 221 m/z (126) 2.1% 0.0174% 6846 1.0 90 25103 981055 855905 2-8 17: 221 73 295 147 207 222 369 223 282 370 296 283 341 208 401 281 267 0.657 44.32 830.5 71 97 90 99 369 16.9 3.558 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9796 2316.8 9.5 scans 27% 157 m/z (43) 10% 0.0150% 6961 0.9 71 5182 845918 750470 2-2 11: 157 133 91 131 145 105 77 143 103 106 270 0.677 44.99 856.4 65 95 66 94 270 12.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1720 2327.8 9.0 scans 88% TIC 0.17% 0.846% 6994 0.9 576 301167 47456604 42788050 2-5 0.970 44.90 15.6 84 83 85 84 272 41.1 0.510 0.271 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN N6_REP1-N1178 ?? UNK Alkene structure 45.4566 2344.2 >10 scans 44% TIC 3.0% 0.0181% 7042 0.0 103 17894 0.0339% 1015419 948429 1900735 3-0 0.785 45.47 874.3 63 88 70 85 288 4.4 0.185 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7954 2363.7 7.5 scans 36% 73 m/z 0.99% 0.0335% 7099 1.1 124 54005 1881540 1680618 4-2 19: 73 355 147 221 281 356 357 145 429 207 341 282 148 416 295 223 74 358 430 0.786 45.78 1.1 93 95 75 94 503 12.3 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1006 2381.3 7.8 scans 80% 79 m/z (270) 0.23% 0.334% 7151 1.0 370 226343 18747985 17026913 2-4 20: 79 67 93 95 80 108 81 55 91 41 94 107 77 121 135 78 149 59 87 136 0.982 46.13 -1.9 94 96 97 99 292 26.7 0.523 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4294 2400.2 9.3 scans 3.8% 177 m/z (85 191) 9.4% 0.00267% 7206 0.7 30 5682 149754 134706 2-4 3: 177 195 178 0.416 46.49 -3.8 62 76 25 72 290 6.1 0.000 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN HCMIX_~1-N1022 ? Henicosane 46.6219 2411.3 8.0 scans 45% 85 m/z (177) 2.4% 0.0229% 7239 1.1 98 21675 1284443 1188066 2-1 19: 85 71 57 43 99 113 127 125 69 141 155 55 70 197 100 111 112 128 83 0.913 46.28 19.6 74 81 84 79 296 0.0 0.000 0.340 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7612 2419.3 8.0 scans 64% 74 m/z (112) 0.57% 0.0695% 7263 0.9 169 93853 3899927 3481536 3-4 13: 74 87 298 75 143 255 199 88 59 129 256 299 185 0.968 46.76 924.2 76 98 95 98 298 31.5 3.477 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4985 2461.7 8.0 scans 62% 138 m/z 0.80% 0.0450% 7388 1.1 145 67086 2527114 2340103 1-9 18: 138 120 121 57 139 43 55 70 41 69 111 65 168 56 92 122 93 84 0.842 47.50 948.9 77 98 84 97 168 18.7 1.664 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9366 2544.5 7.7 scans 63% 73 m/z 1.4% 0.0251% 7631 1.2 107 36626 1411060 1286146 2-4 20: 73 147 429 355 221 281 430 207 357 431 327 295 341 282 401 356 74 148 432 223 0.843 48.95 994.1 73 96 86 99 429 29.7 7.696 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8569 2712.5 8.7 scans 46% TIC 2.9% 0.00916% 8126 1.3 66 18120 513692 450983 1-4 0.674 51.86 1081.6 73 96 66 93 503 11.6 3.049 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6339 2872.3 10.5 scans 32% TIC 6.9% 0.00375% 8596 1.5 39 7716 210386 193676 0-6 0.554 45.81 1395.8 65 93 56 88 503 6.8 3.069 8.822 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0860 770.6 11.3 scans 55% 77 m/z 0.33% 0.0486% 34 4.1 106 124638 2013894 1777220 8-3 19: 77 55 45 84 78 79 62 76 61 56 83 75 63 59 47 46 85 54 53 0.756 4.37 16.6 98 99 95 99 77 92.3 75.493 -0.285 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.3936 830.7 10.8 scans 53% 57 m/z (44) 0.75% 0.0407% 425 0.3 87 55003 1686217 1107049 1-9 17: 57 41 59 39 87 45 40 58 42 102 86 55 51 69 52 85 70 0.894 6.03 -130.9 71 96 89 98 102 9.3 0.000 0.361 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N506_R~1-N1176 2-Hexenal 7.8264 868.0 8.1 scans 82% 55 m/z 1.5% 0.0441% 668 1.7 121 26103 0.0605% 1826523 1703770 2504715 2-0 20: 55 69 41 83 39 42 57 98 97 70 56 43 53 80 40 54 81 38 79 62 0.939 7.71 12.7 99 99 93 98 98 28.0 5.353 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1014 Contamination 6.52min 11.8152 971.9 7.6 scans 48% 207 m/z 1.8% 0.00801% 1343 1.4 52 22990 331952 294086 2-2 15: 207 208 223 191 209 133 96 192 75 224 104 225 73 119 89 0.756 6.53 -4.9 81 81 57 96 207 39.7 57.112 5.287 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2633 983.5 6.9 scans 73% 281 m/z 0.071% 0.237% 1419 1.3 288 584782 9851841 8616050 2-6 20: 281 282 283 265 193 249 133 191 207 284 73 251 177 267 125 266 205 179 250 192 0.863 12.22 37.2 94 99 88 100 281 200.0 48.245 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.7243 995.5 9.3 scans 85% TIC 0.22% 0.135% 1497 2.2 187 183770 5622934 5114211 2-2 0.957 13.22 31.9 94 96 93 99 110 55.8 8.912 -0.498 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1022 ?? Octanal 12.9776 1002.2 8.0 scans 57% 84 m/z (98) 3.8% 0.0244% 1540 1.4 85 10809 1011121 896275 1-5 15: 84 57 56 43 41 55 44 69 85 68 82 42 109 100 67 0.890 12.96 -172.6 68 92 86 98 110 7.6 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1040 ?? Decane 13.6795 1021.2 7.2 scans 34% 71 m/z (112) 10% 0.00352% 1659 1.5 33 4089 145939 132354 3-2 5: 71 70 43 113 85 0.893 12.90 21.2 62 68 69 68 142 0.0 0.000 0.782 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1016 Limonene 13.9463 1028.5 8.1 scans 52% 68 m/z 1.2% 0.0406% 1704 1.3 118 33733 1684751 1491751 2-3 17: 68 93 67 123 94 121 136 79 53 107 92 43 91 81 39 77 80 0.721 13.89 53.2 82 97 79 96 136 24.4 4.295 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1282 1033.4 9.6 scans 94% 79 m/z 0.063% 0.837% 1735 1.3 458 653646 34691194 31516422 2-5 20: 79 108 107 77 51 91 78 50 80 90 89 65 109 63 39 53 52 74 105 54 0.995 14.11 54.4 92 100 100 100 108 203.1 19.648 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4847 1043.0 8.8 scans 88% 91 m/z 0.10% 0.204% 1795 1.4 238 405930 8449323 7638171 2-6 20: 91 92 120 65 63 39 89 51 62 121 50 90 64 66 74 38 61 52 75 122 0.977 14.44 58.2 91 100 98 100 120 78.0 10.708 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1002 ? IS d3-Acetophenone 15.2031 1062.5 10.7 scans 84% 105 m/z 0.25% 0.137% 1917 1.3 196 165225 5701321 5327663 3-0 20: 105 77 123 94 109 46 51 66 50 106 124 78 76 74 39 52 38 79 67 104 0.973 15.17 65.1 77 86 85 92 123 64.6 10.909 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2262 1063.1 >7 scans 17% 95 m/z (49) 2.1% 0.0227% 1921 47.3 75 18935 0.0382% 940835 616761 1581490 0-3 4: 95 45 79 110 0.232 16.11 -207.1 63 83 72 95 109 31.7 17.697 -0.883 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN 98-86-2 ? Acetophenone 15.2970 1065.1 9.9 scans 66% 105 m/z 0.32% 0.0792% 1932 1.2 153 127260 0.138% 3280925 3059770 5713234 0-2 19: 105 77 120 51 78 50 43 75 62 63 76 74 65 89 52 81 38 39 73 0.944 15.29 -180.6 79 99 92 99 120 56.0 13.323 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4564 1069.4 8.7 scans 73% 95 m/z 0.20% 0.170% 1960 1.4 227 202628 7062976 6589341 1-6 19: 95 81 124 79 43 53 109 39 41 65 82 77 66 51 67 80 63 50 125 0.893 15.43 67.7 87 100 94 100 124 67.5 8.837 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1016 Nonanal 16.8029 1109.1 8.9 scans 88% 57 m/z (73) 0.26% 0.335% 2188 1.1 298 159701 13904460 12290117 4-4 20: 57 41 56 55 98 43 70 44 82 69 68 95 81 96 67 39 42 71 54 45 0.986 16.82 86.7 80 98 97 99 124 19.6 0.432 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9824 1116.7 8.5 scans 80% 71 m/z 0.22% 0.176% 2218 1.1 238 183018 7315893 6911806 1-3 19: 71 95 43 110 58 128 85 41 55 84 57 72 69 70 68 56 113 111 42 0.952 16.97 92.0 80 98 94 99 128 60.1 6.402 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0828 1120.9 9.7 scans 91% 91 m/z 0.019% 1.44% 2235 1.0 618 2158206 59867751 53149929 3-5 20: 91 92 122 65 77 51 63 39 93 89 78 103 104 123 50 62 90 52 64 66 0.994 17.05 94.9 82 99 98 100 122 208.6 11.381 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1006 Contamination 18.13min 18.0662 1162.5 7.6 scans 92% 73 m/z 0.024% 1.59% 2402 1.1 739 1710038 66065534 63300108 1-4 20: 73 355 267 356 268 269 251 74 193 249 191 339 323 75 59 154 45 179 207 223 0.965 18.13 -169.2 80 100 95 99 355 317.2 18.424 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1018 Contamination 12.25min 18.2120 1168.6 7.9 scans 36% 281 m/z (69) 1.0% 0.0222% 2427 1.6 81 40655 922116 870569 1-4 15: 281 282 283 191 193 249 209 265 75 251 207 250 284 266 285 0.794 12.25 15.5 94 97 76 96 281 52.7 42.580 5.961 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2534 1170.4 8.8 scans 46% 69 m/z (281) 3.1% 0.0310% 2433 0.6 94 13124 1287114 1187212 2-1 18: 69 60 85 97 55 41 57 101 115 87 43 56 39 134 70 42 84 108 0.860 22.03 -138.7 69 89 93 98 175 0.0 0.000 -3.781 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7180 1190.0 8.3 scans 62% 98 m/z (152) 2.5% 0.0337% 2513 1.0 102 16288 1399079 1293189 1-2 19: 98 55 82 69 111 43 126 41 125 373 83 70 95 39 97 107 112 84 110 0.879 18.71 139.2 72 97 90 99 153 3.6 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8413 1195.2 8.5 scans 75% 70 m/z 0.49% 0.171% 2533 1.2 235 83544 7081839 6611204 1-3 20: 70 55 83 41 43 69 57 84 39 56 96 81 67 42 97 98 93 54 53 72 0.876 18.83 142.5 73 93 93 99 122 26.2 1.238 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1330 1207.6 8.2 scans 44% 82 m/z 1.3% 0.0151% 2582 1.0 74 30132 627147 582860 1-1 7: 82 81 39 54 43 53 83 0.825 19.12 150.5 74 100 84 99 97 12.7 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7629 1234.2 11.4 scans 23% 119 m/z (101) 1.6% 0.0179% 2689 1.2 64 24747 742124 710800 2-3 5: 119 91 128 65 64 0.689 13.76 34.7 71 78 70 79 134 23.5 13.362 6.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8077 1236.1 9.5 scans 80% 57 m/z 0.16% 0.265% 2697 1.6 266 247446 10988327 10030119 7-3 20: 57 45 41 75 87 56 89 72 43 100 59 101 85 58 71 60 44 73 55 132 0.938 19.81 168.6 78 98 94 100 144 6.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3390 1258.3 11.7 scans 63% 43 m/z (84) 1.2% 0.0400% 2787 0.8 96 32547 1656221 1566919 5-1 12: 43 57 41 127 112 98 69 42 126 72 99 114 0.939 20.32 0.6 92 96 90 94 170 11.1 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5321 1264.1 7.9 scans 89% 57 m/z 0.36% 0.254% 2820 1.1 296 114802 10532561 9639223 4-2 20: 57 41 43 55 82 70 71 68 56 83 44 112 67 69 81 95 96 42 110 84 0.979 16.82 -27.3 70 72 83 73 124 2.4 0.000 3.717 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1024 ? Hexadecane 20.7788 1271.5 7.6 scans 65% 57 m/z 0.59% 0.0401% 2861 0.8 126 70390 1663592 1527141 2-1 20: 57 71 43 41 98 56 70 85 113 112 55 99 69 42 58 141 84 72 97 39 0.892 33.32 4.5 76 80 85 80 226 0.0 0.000 -12.540 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1006 ?? Arosol 20.9423 1276.4 10.7 scans 74% 94 m/z (81) 0.33% 0.106% 2889 1.7 154 125373 4418341 3964559 7-2 6: 94 138 66 139 76 45 0.970 20.98 191.4 69 86 87 99 152 15.0 0.944 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1042 ? Phytol 21.2847 1286.7 8.6 scans 39% 57 m/z (150) 4.6% 0.0164% 2947 0.8 67 8870 681201 615283 7-1 11: 57 56 71 70 126 299 98 85 111 313 96 0.854 35.35 -10.7 72 83 80 82 196 0.0 0.000 -14.062 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4406 1291.3 7.3 scans 33% TIC 0.36% 0.0637% 2974 0.8 156 112444 2640203 2407475 3-2 0.417 21.56 -147.4 72 97 42 96 369 56.3 0.000 -0.117 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1030 ? Contamination 21.50min 21.4418 1291.4 6.7 scans 78% 281 m/z 0.22% 0.137% 2974 1.0 237 183083 5709453 5491577 1-2 20: 281 147 73 282 369 283 148 207 370 265 249 371 149 191 74 284 133 267 208 250 0.953 21.50 198.6 79 99 96 99 369 56.9 5.758 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0144 1308.6 8.5 scans 73% TIC 0.055% 0.369% 3071 0.9 336 752066 15283711 13500192 3-4 0.886 22.01 208.2 80 100 91 100 190 92.8 7.628 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 22.8102 1332.4 15.6 scans 61% 60 m/z (136) 0.65% 0.130% 3205 0.2 158 63372 5407773 5154543 0-1 19: 60 73 57 115 129 41 55 98 43 87 61 69 101 56 42 74 158 45 96 0.974 22.70 -142.9 73 95 93 97 158 11.2 0.000 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9028 1335.2 8.5 scans 62% 69 m/z (71) 0.21% 0.209% 3221 1.2 244 196282 8682349 8114121 2-3 10: 69 109 86 110 128 95 67 108 87 137 0.938 22.91 221.6 70 94 88 94 127 29.4 1.451 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1006 Tridecane 23.8355 1363.2 9.7 scans 60% 57 m/z (72 123) 0.66% 0.100% 3379 1.1 153 62952 4165362 3829291 1-2 13: 57 71 85 41 55 56 84 83 184 98 153 141 147 0.864 23.86 -0.8 83 93 86 92 184 14.3 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0817 1371.3 8.0 scans 91% 341 m/z 0.011% 3.66% 3421 0.7 1117 3676714 151599329 142836493 2-3 20: 341 73 429 342 325 343 147 430 326 207 327 251 311 45 59 193 295 267 133 328 0.964 24.17 -152.5 80 99 95 99 429 346.0 9.607 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5434 1386.8 7.7 scans 83% 71 m/z 0.24% 0.169% 3499 1.2 248 171342 7011875 6583705 1-4 20: 71 57 85 43 41 55 84 70 127 113 99 69 56 155 42 126 169 112 72 86 0.949 24.54 249.5 79 100 96 99 169 27.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1032 ?? Dodecane 24.7606 1394.0 7.4 scans 40% 57 m/z (97) 2.9% 0.0134% 3536 1.0 69 14103 556670 501541 1-1 20: 57 43 85 71 41 99 121 56 113 70 154 122 107 120 55 86 53 93 137 127 0.776 20.36 -6.2 64 71 85 83 170 0.0 0.000 4.403 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4395 1416.7 13.2 scans 70% 84 m/z (71) 0.22% 0.214% 3651 2.0 200 182106 8876394 8439582 1-2 18: 84 133 161 162 119 42 92 163 91 117 65 82 51 160 39 104 81 159 0.913 25.89 259.7 73 96 89 96 162 50.7 6.396 -0.453 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1046 ? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0127 1435.8 8.7 scans 30% 145 m/z 0.90% 0.0262% 3748 1.2 93 46057 1086397 1002585 2-4 14: 145 160 115 116 146 91 102 75 63 89 161 50 62 118 0.908 27.08 -187.0 71 91 72 91 160 39.9 18.445 -1.064 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0794 1471.5 6.9 scans 89% 221 m/z 0.065% 0.578% 3929 0.9 475 630125 23931399 22107500 2-2 20: 221 73 147 281 222 355 267 223 148 282 443 74 356 149 268 207 357 205 191 444 0.985 27.12 296.6 79 98 97 98 355 87.9 3.426 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1674 1474.4 7.9 scans 76% 57 m/z 0.28% 0.127% 3944 1.1 214 147989 0.161% 5281743 5013762 6665440 1-0 20: 57 71 43 85 41 55 56 99 70 198 42 84 98 69 113 112 86 127 83 141 0.944 27.21 -1.4 98 98 92 97 198 26.8 1.571 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6562 1530.2 8.2 scans 60% 43 m/z (85) 0.17% 0.254% 4196 0.9 258 231322 0.273% 10555178 8664322 11302268 3-5 20: 43 69 41 151 136 107 125 67 93 109 121 53 39 81 83 68 108 79 161 133 0.861 28.67 332.8 73 98 88 97 194 16.3 0.400 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0895 1546.5 7.8 scans 76% 71 m/z (179) 0.15% 0.394% 4269 1.2 360 262802 0.549% 16316827 15665562 22728737 1-0 20: 71 57 43 85 41 177 55 141 70 113 56 220 112 99 84 69 97 183 135 149 0.988 29.09 342.8 75 97 97 99 220 46.0 1.628 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5133 1562.4 7.9 scans 93% TIC 0.014% 3.74% 4341 0.7 1140 2818143 154959343 146246698 2-3 0.989 29.61 -150.7 79 98 97 99 503 192.7 2.861 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7583 1571.6 7.8 scans 71% 123 m/z 0.041% 0.378% 4382 1.0 366 991921 15679820 14714550 1-3 16: 123 135 124 107 91 95 79 77 81 39 109 53 93 125 105 193 0.939 29.77 357.6 78 98 91 98 193 31.8 0.756 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2365 1589.6 7.3 scans 40% TIC 0.59% 0.0268% 4464 1.0 160 69636 0.0871% 1110483 1039254 3605962 0-1 0.921 29.94 373.2 73 95 92 95 254 6.5 0.000 0.296 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.3227 1592.9 7.9 scans 51% 57 m/z (168) 0.39% 0.0987% 4478 1.0 184 104446 0.119% 4087951 3987330 4926630 1-2 19: 57 71 43 85 41 56 212 70 55 99 42 98 140 154 83 97 84 213 155 0.973 30.38 -2.0 92 96 97 95 212 23.7 1.655 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4862 1599.5 7.8 scans 87% 191 m/z 0.023% 0.780% 4506 0.9 526 1791398 32327944 30162910 2-2 20: 191 206 192 57 163 74 91 175 115 41 107 77 73 88 207 128 147 133 105 119 0.988 30.50 374.7 80 100 98 100 206 140.1 7.098 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8168 1613.4 8.7 scans 34% 124 m/z (71) 1.1% 0.0362% 4562 1.0 105 36422 1500508 1388365 2-3 5: 124 137 180 138 168 0.937 30.81 384.0 71 94 91 94 180 27.7 7.013 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.8764 1615.9 8.6 scans 29% TIC 1.3% 0.0156% 4572 1.2 101 30091 646694 565557 1-1 0.584 30.88 -0.1 68 75 39 76 204 30.6 9.238 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1964 1629.3 9.5 scans 70% 111 m/z 0.079% 0.583% 4626 0.7 412 524246 24170342 22130828 2-2 20: 111 109 137 180 67 43 110 124 95 152 41 79 77 81 39 69 112 53 91 93 0.894 31.18 394.3 77 97 86 98 180 93.7 5.185 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 11.1 scans 46% 43 m/z (168) 0.77% 0.0639% 4679 1.6 126 53904 2648733 2544366 1-0 19: 43 71 85 98 84 127 41 55 166 111 99 183 113 59 82 126 141 86 68 0.774 31.52 -0.3 82 90 77 90 166 19.8 2.480 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 7.6 scans 60% 83 m/z (143) 0.57% 0.0839% 4749 0.9 169 72369 3476869 3251449 4-1 7: 83 82 55 67 210 155 54 0.968 31.92 0.1 78 80 90 84 219 2.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0689 1666.0 6.6 scans 81% 221 m/z 0.094% 0.325% 4774 1.0 367 437730 13459090 12902291 1-5 20: 221 73 147 207 295 222 341 355 223 281 296 148 325 267 74 342 356 208 297 343 0.967 32.08 -0.4 96 95 94 98 355 63.2 2.973 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.8 scans 48% 57 m/z 0.33% 0.110% 4802 1.3 186 123187 4571675 4294674 1-2 20: 57 43 71 85 41 56 77 183 99 55 100 70 113 182 42 69 123 97 127 211 0.639 32.24 -0.2 88 96 74 93 226 8.7 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4367 1681.5 8.7 scans 71% 57 m/z (147) 0.32% 0.185% 4836 0.9 226 129539 7667954 6672080 8-2 20: 57 71 85 56 43 41 197 55 196 99 113 69 127 141 83 168 42 97 169 84 0.949 32.44 -0.2 86 91 93 91 226 9.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6663 1691.1 8.7 scans 66% 205 m/z 1.0% 0.152% 4875 0.9 226 40164 6304218 6022082 1-2 19: 205 119 91 105 43 159 93 147 107 79 162 77 187 131 67 146 133 106 121 0.883 32.67 -0.4 93 95 84 95 220 14.3 0.402 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8623 1699.3 7.9 scans 27% 70 m/z (149) 0.49% 0.0752% 4909 1.2 151 84674 3113906 2738695 9-4 5: 70 134 201 54 216 0.846 32.87 -0.2 74 83 78 82 186 3.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9278 1702.1 7.8 scans 51% 71 m/z 0.11% 0.126% 4920 0.7 205 354863 5221087 4736233 3-4 15: 71 43 159 111 243 72 155 173 143 89 73 160 244 174 44 0.930 32.93 -0.2 96 96 92 95 243 34.8 2.886 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0837 1708.6 7.2 scans 43% 83 m/z (159) 2.4% 0.0416% 4946 1.2 120 16889 1723163 1534240 8-2 20: 83 111 97 55 57 70 69 56 41 84 43 85 224 125 82 126 71 96 98 68 0.916 33.09 -0.1 91 96 97 97 224 6.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.3 scans 45% 71 m/z (211) 1.1% 0.0414% 5083 1.0 121 35301 1714520 1608602 1-1 17: 71 57 43 85 70 197 55 41 196 99 127 56 113 141 72 181 69 0.919 33.90 -0.1 93 99 96 99 197 23.2 3.647 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1012 ? Hexadecane 34.0583 1730.6 9.2 scans 53% 57 m/z (105) 0.60% 0.101% 5111 0.9 165 69271 4181866 3913604 1-1 19: 57 85 71 43 99 113 127 41 83 69 84 141 56 70 42 155 128 169 91 0.964 33.37 9.8 78 84 89 84 226 3.2 0.000 0.685 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2708 1733.6 7.7 scans 50% 57 m/z (173) 0.74% 0.0544% 5147 1.0 136 55726 2252580 2139105 1-1 16: 57 71 85 43 211 41 98 210 183 182 42 56 113 127 196 169 0.924 34.27 0.0 90 95 92 97 211 24.7 3.287 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3611 1734.9 8.2 scans 93% 355 m/z 0.024% 2.17% 5162 1.0 845 1679066 90182935 84381661 2-3 20: 355 73 147 221 281 356 401 402 222 327 403 267 207 148 223 385 416 75 149 133 0.990 34.39 451.9 81 100 99 100 415 100.3 1.409 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7525 1740.5 11.2 scans 81% TIC 0.044% 0.933% 5229 0.4 474 941275 38646346 36020294 1-2 0.944 34.79 451.5 79 99 94 99 199 135.8 8.201 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9001 1742.6 8.2 scans 44% 68 m/z (71) 0.60% 0.118% 5254 1.2 186 68521 4897707 4388352 3-2 5: 68 69 111 224 54 0.921 34.90 -0.1 94 97 98 99 224 24.5 1.731 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9267 1757.3 17.6 scans 32% TIC 1.0% 0.0512% 5427 1.2 159 38819 0.0807% 2120706 1992688 3341000 1-0 0.532 35.94 450.9 61 90 56 89 238 8.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5182 1765.8 7.4 scans 83% 221 m/z 0.048% 0.928% 5528 1.0 578 862116 38448170 36388951 2-2 20: 221 73 147 295 207 281 222 369 341 296 148 208 282 74 327 355 297 370 149 209 0.979 36.58 449.3 78 98 97 99 369 91.0 2.478 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2024 1775.6 8.3 scans 77% 209 m/z 0.056% 0.598% 5643 0.8 444 741830 24766615 23261431 2-1 20: 209 224 181 165 210 167 105 178 166 179 225 103 194 77 91 152 115 193 97 119 0.941 37.20 449.3 80 99 97 99 224 138.4 9.700 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3045 1777.0 9.5 scans 59% 57 m/z (91) 0.41% 0.152% 5661 1.1 208 100941 6334151 6056729 0-1 20: 57 71 85 43 41 99 127 113 169 97 155 58 226 125 42 228 211 227 86 68 0.855 38.91 -23.0 75 85 90 85 254 3.3 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0548 1787.8 11.0 scans 62% 57 m/z (70) 0.31% 0.220% 5788 0.6 225 131497 9142739 8480050 1-2 20: 57 71 85 43 225 41 98 99 55 56 224 113 127 69 84 159 83 155 226 239 0.936 38.06 448.1 72 97 92 97 225 39.9 3.130 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5790 1795.3 9.1 scans 75% 73 m/z 0.073% 0.663% 5876 1.3 445 568562 27471782 25327315 2-3 20: 73 429 147 221 355 430 281 341 431 207 356 401 357 222 74 148 267 282 342 295 0.965 38.59 447.2 80 100 96 99 429 130.7 8.630 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8542 1917.1 14.7 scans 96% 68 m/z 0.016% 11.2% 6093 0.2 1494 2517100 466603195 450670410 1-1 20: 68 95 82 123 69 81 57 67 55 43 83 41 97 109 71 96 124 111 79 137 0.999 39.94 548.0 81 100 100 100 278 92.0 0.379 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1032 ?? Hexahydrofarnesyl acetone 39.9161 1924.7 6.4 scans 33% 58 m/z 0.65% 0.0472% 6104 1.7 150 63827 0.0526% 1957527 1775945 2177653 1-6 10: 58 43 59 109 110 95 124 137 210 179 0.747 39.88 556.4 61 84 59 82 250 20.5 1.871 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3223 1975.1 7.8 scans 28% 149 m/z 0.23% 0.0469% 6172 1.0 128 177108 1943963 1835367 2-3 9: 149 223 150 104 76 167 205 132 50 0.864 40.31 600.2 70 93 74 93 223 30.8 5.762 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N406_R~1-N1110 ? Phytol 40.8548 2041.1 >12 scans 12% 123 m/z (159 279) 1.2% 0.0562% 6263 1.3 117 34590 0.0898% 2330232 2291520 3717742 1-0 18: 123 95 151 278 79 109 179 134 137 94 122 193 249 107 77 121 92 136 0.470 40.66 23.9 75 91 45 85 278 19.8 2.854 0.193 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1254 Phytol 40.8548 2041.1 >12 scans 15% 123 m/z (159) 1.2% 0.0675% 6263 1.3 128 32941 0.107% 2796974 2750508 4429827 1-0 18: 123 95 151 278 79 109 179 134 137 94 122 193 249 107 77 121 92 136 0.543 40.87 -1.6 83 94 54 90 278 20.2 2.484 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BQLD_R~1-N1056 Homosalate 41.0307 2062.9 9.2 scans 88% 138 m/z 0.029% 2.09% 6292 0.7 786 1389245 86593858 80603014 2-9 19: 138 109 120 69 121 124 83 139 55 82 262 81 95 93 92 68 125 43 63 0.978 41.00 677.1 80 99 98 100 262 106.5 1.833 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4321 2112.7 8.3 scans 33% 205 m/z (69) 1.0% 0.0750% 6360 0.9 154 39319 3107613 2907928 3-2 19: 205 217 175 189 220 177 232 130 206 192 191 163 218 128 190 233 65 162 176 0.809 41.49 -83.9 75 96 67 94 276 13.2 0.726 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5620 2123.4 7.9 scans 32% 187 m/z (105) 1.8% 0.0336% 6382 1.3 104 22310 0.0352% 1393998 1267079 1457289 2-0 6: 187 159 272 160 188 145 0.869 41.76 725.7 70 94 78 96 272 30.4 8.588 -0.199 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6204 2126.7 9.3 scans 26% 71 m/z (105) 1.5% 0.0453% 6392 0.6 103 26515 1876418 1770413 2-1 19: 71 85 43 127 57 190 155 99 125 169 141 113 156 143 154 84 128 58 86 0.530 41.48 7.7 62 74 71 74 268 0.0 0.000 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6440 2128.0 8.4 scans 40% 69 m/z (71) 0.73% 0.0597% 6396 0.7 132 56363 0.0731% 2473297 2260140 3026358 0-2 17: 69 93 81 41 120 133 67 107 68 79 91 161 95 119 53 121 39 0.907 41.75 730.5 66 92 86 90 272 2.8 0.000 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9929 2147.6 7.7 scans 62% 74 m/z 0.23% 0.137% 6455 1.1 227 176466 5679058 5237666 2-1 19: 74 87 143 75 55 43 227 270 41 69 239 59 129 88 101 83 185 171 199 0.843 42.01 745.6 76 97 85 97 272 2.8 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1257 2155.1 8.6 scans 66% 93 m/z (219) 0.82% 0.133% 6477 1.1 197 50137 5506965 4927123 1-3 20: 93 109 107 81 91 95 190 79 147 105 80 110 163 272 133 77 122 119 92 120 0.954 42.05 4.5 77 80 80 79 272 27.5 1.956 0.081 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3099 2165.4 7.4 scans 65% 73 m/z (155) 0.34% 0.119% 6508 0.9 203 120614 4945169 4566238 2-3 20: 73 147 281 355 429 221 503 341 282 207 148 74 430 356 504 222 415 357 401 505 0.930 42.37 756.4 75 96 96 99 503 33.8 2.756 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9888 2203.5 7.7 scans 55% 82 m/z (132) 0.38% 0.0637% 6624 1.1 146 107524 2638459 2483616 3-2 12: 82 95 81 292 109 137 96 108 151 94 119 53 0.905 43.03 781.4 66 93 88 94 292 17.7 1.469 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1020 ? Icosane 43.8466 2251.7 8.4 scans 56% 71 m/z (205) 1.1% 0.0490% 6769 1.1 121 35781 2032683 1801869 2-3 17: 71 57 85 43 127 99 41 72 70 267 113 56 84 126 83 154 266 0.929 43.94 -5.0 79 84 88 93 282 8.8 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 44.1163 2267.1 7.8 scans 9.6% 105 m/z (227) 22% 0.00212% 6815 2.0 27 1826 87961 86731 1-0 6: 105 81 137 119 108 272 0.372 43.55 31.9 67 87 34 80 272 5.5 4.121 0.564 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1577 2327.0 8.4 scans 80% 137 m/z 0.57% 0.247% 6991 1.0 287 72028 10251116 9459809 2-2 20: 137 95 81 93 69 71 55 257 123 107 41 43 121 79 109 67 91 80 94 105 0.916 44.90 14.8 84 85 83 85 272 20.9 0.528 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7699 2362.2 7.6 scans 26% 73 m/z 1.0% 0.0358% 7095 1.1 111 37821 1484917 1376669 2-4 20: 73 355 147 221 281 356 357 207 148 222 282 429 74 205 339 249 401 369 149 415 0.839 45.78 -0.4 94 96 80 94 503 11.6 1.094 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN TAB_REP1-N1230 ? C18:3-butanoate 46.0774 2379.9 11.4 scans 37% 163 m/z (109) 3.5% 0.0290% 7147 1.2 82 11711 1203462 1059610 1-4 17: 163 91 107 136 245 94 133 147 149 121 164 53 131 66 110 117 162 0.743 46.13 -3.3 78 91 69 89 292 6.8 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN HCMIX_~1-N1022 ? Henicosane 46.6258 2411.5 8.4 scans 27% 71 m/z (95) 8.1% 0.00607% 7239 0.9 44 5131 251455 228998 2-1 11: 71 127 43 85 57 113 99 125 155 112 110 0.717 46.28 19.8 70 79 68 74 296 0.0 0.000 0.344 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BQLD_R~1-N1052 Dodecyl p-hydroxybenzoate 47.5048 2462.1 8.3 scans 92% 138 m/z 0.068% 0.692% 7389 0.9 480 607046 28677257 26317404 2-3 20: 138 120 121 57 139 43 55 71 41 69 111 70 56 92 65 85 83 93 306 98 0.989 47.50 949.3 80 100 99 100 168 58.7 1.495 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 47.6648 2471.3 8.5 scans 90% 221 m/z 0.11% 0.455% 7416 1.2 378 364014 18843341 17609711 2-3 20: 221 73 147 295 281 369 207 222 296 223 370 355 148 297 282 74 267 283 149 356 0.969 40.63 1091.2 73 90 94 97 369 78.3 4.288 7.032 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9287 2544.1 7.6 scans 53% 73 m/z 2.0% 0.0160% 7630 1.0 75 20102 663902 614497 2-4 20: 73 147 355 221 429 207 281 430 223 431 295 369 341 282 283 222 325 357 327 267 0.729 51.86 913.2 72 94 69 92 503 5.9 0.000 -2.929 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 50.8142 2652.5 8.2 scans 79% 221 m/z (357) 0.50% 0.0942% 7949 1.3 169 82016 3902372 3546039 2-4 20: 221 73 147 295 369 222 207 281 296 223 297 148 74 282 205 371 341 283 149 265 0.926 44.32 1205.2 72 92 92 97 369 36.3 4.617 6.494 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6425 2872.8 9.2 scans 27% 283 m/z (355) 8.7% 0.00424% 8597 0.8 35 4760 175757 174040 0-2 9: 283 223 357 281 356 430 431 341 222 0.611 45.81 1396.3 63 92 67 89 503 4.9 0.000 8.831 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0667 770.1 12.9 scans 59% 77 m/z 0.12% 0.154% 30 3.6 176 364551 6268765 5576719 1-2 18: 77 45 78 79 76 62 59 63 75 47 61 46 92 53 68 38 64 71 0.758 4.37 16.1 99 100 96 100 77 153.3 75.438 -0.304 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5862 835.7 14.1 scans 64% 207 m/z 0.32% 0.0860% 457 2.7 124 142834 3496391 3334177 1-1 20: 207 208 209 191 133 177 67 163 210 119 103 81 176 147 193 165 87 192 194 178 0.748 6.53 -141.1 79 100 84 99 207 95.9 59.806 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6871 864.4 20.7 scans 93% 83 m/z (82) 0.17% 0.557% 644 1.2 381 266660 1.08% 22641141 21800768 43868637 6-0 20: 83 69 55 41 39 57 42 98 97 70 80 56 43 53 79 54 40 38 68 51 0.996 7.71 9.1 99 100 100 100 98 78.1 4.201 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 10.5780 939.7 >13 scans 27% 45 m/z (73) 8.9% 0.00578% 1134 2.1 34 5181 0.00926% 234801 213405 376133 4-0 3: 45 87 41 0.721 6.03 -21.9 64 69 65 74 102 3.5 0.000 4.545 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKSTART-N1002 ? Contamination 12.22min 12.2398 982.9 8.4 scans 48% 43 m/z (114) 0.27% 0.105% 1415 1.5 166 168189 4293489 3843838 2-5 14: 43 99 71 41 55 39 142 42 100 111 93 251 44 177 0.613 12.22 36.6 76 89 0 93 281 79.4 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6778 994.3 10.7 scans 68% 81 m/z 0.25% 0.133% 1489 2.2 170 180695 5419346 4865276 2-2 20: 81 110 53 39 79 67 41 68 82 65 77 51 95 50 111 40 109 66 54 63 0.888 13.22 30.7 93 96 85 98 110 53.4 9.915 -0.544 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1040 ? Decane 12.8230 998.1 9.6 scans 5.3% 57 m/z (112) 11% 0.00255% 1514 1.1 26 3890 103919 87066 1-2 6: 57 99 85 142 71 118 0.723 12.90 -1.9 70 88 61 85 142 5.5 4.497 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1022 ? Octanal 12.9340 1001.0 8.1 scans 59% 57 m/z (108) 1.6% 0.0678% 1533 1.4 135 28497 2757424 2506936 1-4 16: 57 84 56 41 43 55 44 69 68 42 100 85 82 71 95 110 0.953 12.96 -173.8 71 95 88 95 110 10.1 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1024 ? p-Cymene 13.7339 1022.7 8.5 scans 38% 119 m/z (45) 2.0% 0.0121% 1668 1.4 56 22740 494906 432844 1-6 10: 119 134 117 91 115 120 93 65 104 135 0.817 13.76 -176.8 74 98 84 99 134 21.1 14.193 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1542 1034.1 13.5 scans 92% 79 m/z 0.023% 3.38% 1739 0.6 781 2003442 137367376 128145979 1-5 20: 79 108 107 77 51 91 78 80 50 90 89 39 65 63 52 53 74 105 62 76 0.997 14.11 55.1 92 100 100 100 108 345.0 19.522 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4700 1042.6 9.4 scans 89% 91 m/z 0.040% 0.637% 1793 1.4 390 1134133 25889556 22863913 2-5 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 66 38 61 74 52 41 0.989 14.44 57.8 91 100 98 100 120 127.3 10.667 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0202 1057.6 8.6 scans 46% 70 m/z 2.8% 0.0213% 1886 1.3 87 16278 867774 818712 1-1 19: 70 55 83 41 69 57 39 98 42 84 53 67 58 68 56 97 93 111 81 0.907 18.83 4.9 79 81 73 81 122 1.9 0.000 -3.810 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.1519 1061.1 11.1 scans 5.5% 95 m/z (105) 4.3% 0.0117% 1908 3.2 51 10607 477586 477586 0-0 1: 95 0.485 16.11 -209.1 62 89 69 93 109 22.9 19.989 -0.957 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1838 1062.0 >11 scans 80% 105 m/z 0.11% 0.317% 1914 1.0 274 417467 12902918 11678737 5-1 18: 105 77 123 51 46 106 109 50 124 74 78 52 76 75 49 90 104 40 0.925 15.17 64.6 88 100 97 99 123 99.2 13.129 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN 98-86-2 ? Acetophenone 15.2741 1064.4 10.4 scans 71% 105 m/z 0.10% 0.300% 1929 1.2 283 445695 0.439% 12217119 11487172 17831789 0-2 20: 105 77 120 51 43 106 50 78 121 74 76 63 62 75 65 39 91 52 38 140 0.977 15.29 -181.3 79 98 96 99 120 97.9 12.007 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4335 1068.7 8.9 scans 51% TIC 0.21% 0.111% 1956 1.6 202 213126 0.132% 4522714 4314093 5361722 1-0 0.721 15.43 67.0 83 100 78 98 124 66.5 10.832 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.2180 1090.0 8.3 scans 21% 132 m/z (120) 5.0% 0.00649% 2089 1.3 44 9252 263794 249041 1-1 12: 132 117 115 116 133 131 81 65 128 91 118 102 0.800 16.25 -184.6 71 98 82 97 132 24.4 30.195 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1002 Undecane 16.6124 1101.1 9.9 scans 67% TIC 0.71% 0.0834% 2156 1.1 154 64598 3388197 3175948 1-1 0.814 16.59 1.1 95 96 94 96 156 18.1 1.367 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1016 Nonanal 16.7924 1108.7 10.0 scans 88% 57 m/z 0.12% 0.826% 2186 1.3 443 375971 33574933 30462583 6-3 20: 57 41 56 55 43 70 98 44 82 69 68 81 95 96 67 39 42 71 54 45 0.977 16.82 86.3 82 99 97 99 124 30.1 0.462 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9642 1115.9 8.3 scans 71% 71 m/z 0.34% 0.116% 2215 1.2 199 135282 4746228 4480665 1-2 19: 71 95 43 110 58 128 85 84 41 55 69 57 72 70 111 113 56 129 53 0.952 16.97 91.2 80 97 94 99 128 50.2 6.369 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.1141 1122.3 12.7 scans 93% 91 m/z 0.011% 3.42% 2241 0.4 834 4046889 139126656 129388768 2-5 20: 91 92 122 65 77 51 93 63 39 89 78 103 104 50 62 90 52 64 74 66 0.996 17.05 96.3 81 99 97 100 122 284.6 11.647 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0728 1162.8 9.1 scans 61% 355 m/z 0.59% 0.0774% 2403 1.5 142 77379 3146143 2875523 9-2 20: 355 73 267 356 268 269 357 193 251 249 74 177 339 340 358 323 253 75 223 207 0.890 18.13 -168.9 79 99 83 98 355 65.3 21.150 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2942 1172.1 >8 scans 33% TIC 2.1% 0.0219% 2441 999.0 84 21158 0.0412% 891529 533708 1673507 0-6 0.591 22.03 -137.0 69 95 59 93 175 0.0 0.000 -3.740 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 18.3001 1172.4 15.2 scans 42% 73 m/z (107) 1.9% 0.0587% 2441 0.3 94 23375 2386451 1917446 1-7 15: 73 69 115 101 87 98 88 45 108 53 42 82 111 89 61 0.799 19.87 104.1 70 94 71 96 144 2.2 0.000 -1.571 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7098 1189.7 8.4 scans 51% 98 m/z (137) 2.7% 0.0366% 2511 0.8 105 17028 1487707 1432047 1-0 16: 98 55 69 111 82 43 41 107 97 70 83 126 100 95 108 99 0.834 18.71 138.9 71 95 86 98 153 3.1 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 18.8869 1197.2 17.8 scans 22% 122 m/z (70) 2.4% 0.0269% 2541 0.8 62 19071 1092968 992366 1-3 6: 122 123 106 45 74 60 0.775 20.03 126.5 71 95 90 95 122 35.1 32.004 -1.142 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1177 1206.9 7.7 scans 39% TIC 1.3% 0.00731% 2580 1.1 74 33228 296983 265280 1-1 0.859 19.12 149.8 75 100 87 98 97 11.4 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7990 1235.7 9.8 scans 87% TIC 0.11% 0.451% 2695 1.2 339 405006 18342753 16762259 7-3 0.977 19.81 168.2 78 97 93 100 144 7.7 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3190 1257.7 9.9 scans 54% 57 m/z (107) 1.5% 0.0356% 2783 1.3 91 30715 1450052 1289569 3-3 17: 57 71 43 85 41 170 70 56 84 42 86 98 112 58 127 99 72 0.920 20.32 -0.0 93 98 91 97 170 12.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1034 ? Decanal 20.5251 1263.9 8.2 scans 92% 57 m/z 0.23% 0.485% 2819 1.1 384 201227 19711856 18525127 4-2 20: 57 41 43 55 82 70 71 68 83 56 44 81 67 69 112 95 96 42 84 39 0.990 20.57 -143.1 71 86 92 99 138 19.9 0.270 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5251 1263.9 8.2 scans 93% 57 m/z (101) 0.23% 0.510% 2819 1.1 385 199198 20744019 19495149 4-2 20: 57 41 43 55 82 70 71 68 83 56 44 81 67 69 112 95 96 42 84 39 0.995 16.82 -27.5 69 72 86 74 124 2.8 0.000 3.710 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1024 ?? Hexadecane 20.6219 1266.8 >7 scans 31% TIC 5.2% 0.00357% 2835 3.9 58 8822 145104 135344 0-1 0.674 33.32 -0.2 68 78 73 79 226 0.0 0.000 -12.697 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9371 1276.2 12.5 scans 46% 94 m/z (137) 0.79% 0.0483% 2888 1.7 94 58049 1964130 1819089 2-2 3: 94 66 85 0.939 20.98 191.2 74 96 91 99 152 3.8 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9944 1277.9 8.5 scans 79% 137 m/z 0.34% 0.232% 2898 1.0 266 135539 9434795 8628735 3-2 19: 137 152 109 123 81 67 91 79 95 93 41 55 39 119 107 53 153 65 43 0.955 21.00 192.6 66 86 78 85 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.0994 1281.1 7.0 scans 19% 281 m/z 1.1% 0.0143% 2916 1.5 69 40693 583867 505949 2-3 16: 281 282 283 265 193 207 267 249 285 133 284 195 223 194 165 134 0.755 12.25 128.0 74 96 67 95 281 51.2 54.505 8.848 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4454 1291.5 6.9 scans 6.3% 281 m/z 6.7% 0.00347% 2975 0.8 36 6877 141101 127324 2-2 10: 281 147 73 369 249 283 265 207 148 282 0.514 21.56 -147.2 70 97 63 94 369 11.2 9.816 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1016 ? Nicotine 22.7518 1330.7 11.7 scans 58% 60 m/z (117) 1.0% 0.0887% 3196 0.3 137 45510 3606466 3394533 1-1 18: 60 73 57 41 115 129 55 98 87 61 39 158 45 101 96 74 42 59 0.887 25.35 181.5 70 93 86 98 162 0.0 0.000 -2.602 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 22.7518 1330.7 11.7 scans 41% 60 m/z 1.0% 0.0482% 3196 0.3 114 45622 1961080 1845837 1-1 18: 60 73 57 41 115 129 55 98 87 61 39 158 45 101 96 74 42 59 0.681 22.70 -144.6 71 96 70 94 158 9.5 0.000 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8958 1335.0 8.8 scans 54% 69 m/z (85) 0.21% 0.215% 3220 1.1 236 213072 8763753 7969540 4-4 16: 69 43 109 86 110 67 128 95 58 53 87 54 40 59 100 170 0.739 22.91 221.4 72 95 82 96 127 30.1 1.631 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.8344 1363.2 9.9 scans 31% 57 m/z (72) 1.3% 0.0401% 3379 1.0 92 33334 1629405 1518772 2-2 5: 57 85 71 70 184 0.756 23.86 -0.8 79 87 68 86 184 12.3 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0883 1371.6 7.3 scans 66% 73 m/z 0.22% 0.194% 3422 1.0 259 202369 7882849 7334447 2-3 17: 73 341 429 342 325 147 343 430 431 82 74 326 207 68 344 327 96 0.848 24.17 -152.2 78 98 77 99 429 74.7 8.336 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5411 1386.7 9.3 scans 73% TIC 0.71% 0.0520% 3499 1.4 144 65230 0.0742% 2113913 2033070 3013938 1-0 0.931 24.54 249.4 77 100 94 99 169 15.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.7831 1428.2 7.5 scans 73% 93 m/z 0.24% 0.148% 3709 0.9 228 186243 6042607 5531019 2-2 20: 93 43 121 136 91 79 77 194 94 81 41 95 71 123 107 105 108 137 67 122 0.921 25.78 272.9 78 99 89 98 194 35.4 2.408 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0010 1468.9 8.2 scans 41% 136 m/z (57) 4.8% 0.0265% 3916 1.0 88 9665 1079521 974933 1-5 10: 136 137 93 79 161 176 208 107 122 165 0.842 27.02 295.5 64 90 76 92 208 9.2 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0984 1472.1 6.6 scans 49% 221 m/z 1.5% 0.0217% 3932 0.9 92 29557 883677 835879 1-2 19: 221 73 147 281 222 267 355 223 148 283 443 444 268 74 191 269 356 445 251 0.858 27.12 297.2 76 97 82 96 355 17.9 3.818 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.6 scans 85% 57 m/z (168) 0.24% 0.186% 3944 1.0 243 186300 0.238% 7590072 7325753 9667348 1-0 20: 57 71 43 85 41 55 56 99 70 198 84 42 98 113 69 112 127 141 126 72 0.973 27.21 -1.3 97 99 98 99 198 30.0 1.528 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8328 1499.3 8.5 scans 50% 71 m/z (121) 0.92% 0.0985% 4056 1.4 161 50251 4001965 3706650 2-3 16: 71 57 43 85 70 169 41 79 99 56 133 170 66 67 168 113 0.712 27.84 314.0 62 95 83 96 212 6.5 0.164 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6551 1530.2 8.2 scans 60% 43 m/z (99) 0.25% 0.211% 4195 0.9 220 181185 8607977 6169280 5-11 19: 43 69 41 136 151 107 125 67 93 109 121 53 39 68 83 108 79 194 77 0.878 28.67 332.8 74 99 88 97 194 13.3 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0878 1546.4 7.6 scans 76% 71 m/z 0.15% 0.322% 4269 1.2 339 300054 0.409% 13100592 12538305 16613215 1-0 20: 71 57 43 85 41 55 70 113 141 56 99 112 84 183 69 177 97 42 220 140 0.922 29.10 342.5 68 91 91 90 227 7.3 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0878 1546.4 7.6 scans 82% 71 m/z (179) 0.15% 0.392% 4269 1.2 351 298395 0.498% 15958278 15273337 20228316 1-0 20: 71 57 43 85 41 55 70 113 141 56 99 112 84 183 69 177 97 42 220 140 0.979 29.09 342.7 71 93 94 93 220 31.1 0.786 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5099 1562.3 7.9 scans 79% 73 m/z 0.080% 0.647% 4340 1.1 455 578140 26288402 24709563 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 504 416 148 74 505 325 417 342 0.951 29.61 -150.8 79 99 95 99 503 79.7 3.064 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7525 1571.4 8.0 scans 67% 123 m/z 0.065% 0.280% 4382 0.9 298 703584 11400171 10332887 1-8 13: 123 135 124 107 91 95 79 109 77 39 53 125 81 0.944 29.77 357.4 77 97 92 96 193 25.5 0.732 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8263 1574.2 8.9 scans 15% 105 m/z (196) 2.5% 0.0175% 4395 1.2 71 18353 712861 656813 0-2 15: 105 161 91 121 94 133 93 119 106 147 136 107 80 108 78 0.690 29.85 359.1 64 93 75 93 204 13.5 3.568 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9361 1578.3 8.6 scans 74% TIC 0.15% 0.309% 4413 0.9 309 292138 12585840 11880192 1-1 0.899 29.94 361.9 78 99 90 98 254 8.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.1628 1586.8 7.8 scans 63% 57 m/z (153) 0.63% 0.105% 4451 1.3 178 73512 0.159% 4301211 3973808 6458438 1-0 20: 57 71 85 43 99 41 113 84 55 56 70 127 155 69 98 183 154 169 112 97 0.936 30.38 -8.1 79 79 93 83 212 0.0 0.000 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4857 1599.5 7.9 scans 80% 191 m/z 0.060% 0.320% 4506 1.0 326 766387 13019133 12343282 1-4 20: 191 206 192 57 163 74 175 91 115 41 107 77 73 207 128 147 133 161 119 105 0.961 30.50 374.7 80 99 95 99 206 88.6 7.363 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8121 1613.2 8.3 scans 51% 124 m/z (71) 0.68% 0.0700% 4561 1.0 141 68046 2846950 2651766 2-4 10: 124 137 180 125 138 82 54 96 181 152 0.959 30.81 383.8 77 99 98 99 180 36.8 6.764 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8659 1615.4 8.6 scans 40% 205 m/z (207) 1.9% 0.0369% 4570 1.6 101 23935 1499520 1406291 1-1 17: 205 104 120 131 133 77 105 165 66 103 115 145 135 116 155 144 130 0.835 30.88 -0.6 83 85 64 92 204 19.7 3.843 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1917 1629.1 9.7 scans 78% TIC 0.092% 0.596% 4625 0.8 409 504384 24209473 22553638 2-1 0.947 31.18 394.1 78 98 96 99 180 89.7 4.807 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1044 ?? UNK 31.21min 31.1929 1629.2 9.7 scans 79% 111 m/z (71 401) 0.091% 0.678% 4626 0.8 409 508365 27557250 25113316 2-1 20: 111 109 137 43 180 67 110 124 95 152 41 79 81 77 39 69 112 165 65 93 0.962 31.20 393.8 69 94 93 95 180 90.1 4.851 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5088 1642.5 10.4 scans 57% 43 m/z (161) 0.85% 0.0741% 4679 1.2 133 54151 3013027 2888492 1-1 20: 43 85 57 166 127 55 41 155 99 68 82 84 53 54 70 39 56 42 154 169 0.905 31.52 -0.2 81 88 81 89 166 21.6 2.636 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6203 1647.1 7.9 scans 58% 71 m/z (401) 1.0% 0.0781% 4698 1.4 149 46106 3175773 2930918 1-2 20: 71 57 85 43 69 99 111 55 56 113 84 41 169 127 70 83 72 126 155 112 0.864 31.63 -0.6 62 81 78 83 429 7.9 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7797 1653.8 8.2 scans 11% 193 m/z (57) 3.1% 0.00735% 4725 0.8 46 14629 298615 264326 1-5 7: 193 197 208 196 175 151 198 0.636 31.80 -0.7 66 76 25 78 208 11.2 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9090 1659.3 9.0 scans 47% 71 m/z (138) 1.3% 0.0741% 4747 0.5 125 35122 3011979 2731390 1-1 18: 71 57 43 85 69 99 41 111 113 112 155 84 127 210 141 72 68 86 0.761 31.92 -0.4 75 87 71 85 219 2.5 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0672 1665.9 6.8 scans 26% 221 m/z 1.3% 0.0224% 4774 1.0 91 33840 911579 824973 3-1 20: 221 73 147 295 222 207 341 223 355 267 281 296 208 325 356 74 326 357 279 224 0.864 32.08 -0.5 95 97 82 95 355 16.3 3.197 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2295 1672.7 8.5 scans 65% 57 m/z (140) 0.51% 0.123% 4801 1.5 176 89941 5002011 4653001 1-2 18: 57 43 71 85 41 99 183 56 55 182 70 42 149 184 141 83 105 97 0.952 32.24 -0.4 90 96 93 94 226 9.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4344 1681.4 9.2 scans 63% 57 m/z (177) 0.71% 0.0935% 4836 0.9 157 64692 3800079 3571541 0-1 20: 57 71 85 43 56 197 41 196 55 127 99 113 147 69 70 165 111 95 168 42 0.933 32.44 -0.3 85 91 91 92 226 5.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6611 1690.9 8.6 scans 59% 205 m/z 1.7% 0.0923% 4874 1.2 171 26976 3751472 3482368 1-3 19: 205 119 91 159 105 43 93 162 107 79 147 145 106 131 77 121 146 133 120 0.827 32.67 -0.6 93 96 80 95 220 11.2 0.426 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8600 1699.2 7.8 scans 25% 70 m/z (149) 1.4% 0.0324% 4908 1.3 96 33074 0.0388% 1317624 1198542 1576021 8-0 4: 70 134 216 202 0.754 32.87 -0.3 67 76 71 79 186 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9273 1702.1 7.7 scans 70% 71 m/z 0.088% 0.211% 4919 0.9 262 525174 8570772 8011122 7-5 15: 71 43 159 111 56 243 72 155 173 143 89 98 160 73 244 0.938 32.93 -0.2 95 95 88 99 243 40.8 2.418 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0838 1708.6 7.2 scans 42% 111 m/z (216) 3.6% 0.0287% 4946 0.9 101 12760 1166103 1164005 0-1 18: 111 83 97 57 55 70 69 43 56 41 84 71 42 85 82 151 112 67 0.884 33.09 -0.1 91 96 97 97 224 4.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3051 1717.9 7.6 scans 77% 57 m/z (59) 0.26% 0.192% 4983 0.7 240 177556 7815265 7124487 3-7 19: 57 71 43 85 41 55 99 56 70 69 113 226 98 42 84 112 72 44 141 0.968 33.37 -2.9 96 99 96 99 226 27.6 1.329 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8872 1728.2 7.5 scans 36% 71 m/z 1.7% 0.0175% 5082 1.2 92 26820 711172 665484 1-1 19: 71 43 57 70 85 197 196 225 55 41 99 56 98 127 181 113 141 155 42 0.775 33.90 -0.1 88 95 78 92 197 19.1 4.293 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2668 1733.6 7.6 scans 38% 57 m/z (173) 1.5% 0.0269% 5147 0.8 94 29959 1093545 1093545 0-0 18: 57 85 71 43 211 98 210 127 41 56 70 113 141 183 69 212 72 58 0.893 34.27 -0.0 90 97 91 95 211 19.0 4.109 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3642 1735.0 8.6 scans 93% 355 m/z 0.015% 4.08% 5163 0.8 1095 2977836 165727115 153429871 2-2 20: 355 73 221 147 281 356 357 282 402 415 327 267 403 207 74 283 358 223 385 416 0.991 34.39 452.0 81 100 98 100 415 135.8 1.539 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7308 1740.2 10.4 scans 77% 91 m/z 0.083% 0.511% 5225 0.6 350 553437 20759879 18743835 3-4 20: 91 155 199 90 65 184 92 89 44 120 63 137 39 106 77 64 200 51 134 66 0.956 34.79 451.2 79 99 93 98 199 100.8 8.271 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8990 1742.6 8.3 scans 33% 68 m/z (57) 1.2% 0.0549% 5253 1.2 124 36694 2230041 2091070 2-2 3: 68 69 111 0.935 34.90 -0.1 92 97 92 96 224 17.1 1.923 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3412 1749.0 8.2 scans 72% 57 m/z (113) 0.52% 0.210% 5328 0.8 243 89113 8530942 7506098 4-1 20: 57 71 43 69 85 55 56 81 41 126 95 70 111 82 83 96 67 109 137 84 0.983 35.35 451.6 76 97 98 99 196 20.4 0.704 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9244 1757.3 18.4 scans 29% TIC 1.6% 0.0354% 5427 1.2 126 28003 0.0561% 1439473 1403664 2278732 1-0 0.498 35.94 450.9 61 91 37 88 238 6.8 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5201 1765.8 7.2 scans 12% 221 m/z 2.5% 0.0136% 5528 1.0 71 18460 555483 520657 1-2 14: 221 73 341 147 207 281 369 222 296 208 295 327 342 370 0.664 36.58 449.3 71 95 71 93 369 13.3 3.569 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1936 1775.4 8.2 scans 60% 209 m/z 0.20% 0.167% 5642 1.1 225 224944 6812996 6215992 2-9 20: 209 224 181 210 165 167 178 105 179 166 225 103 77 91 152 193 194 115 119 182 0.895 37.20 449.1 79 99 88 99 224 73.8 10.793 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN HCMIX_~1-N1016 Octadecane 37.2999 1777.0 9.0 scans 52% 71 m/z (216) 0.87% 0.0927% 5660 1.2 154 52818 3766464 3307751 1-5 19: 71 85 57 43 99 113 69 127 84 41 55 126 169 155 70 225 56 141 246 0.935 38.91 -23.0 81 88 92 86 254 3.4 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0537 1787.8 8.2 scans 66% 57 m/z (193) 0.52% 0.106% 5788 1.1 176 88352 4327802 4062244 2-1 20: 57 71 85 43 56 41 225 55 99 113 169 69 141 127 98 70 224 196 239 83 0.959 38.06 448.1 76 100 97 99 225 33.1 3.529 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5626 1795.0 9.5 scans 94% 73 m/z 0.029% 2.25% 5874 1.2 763 1550437 91502980 87149046 2-3 20: 73 429 147 221 355 281 341 207 356 401 222 74 148 342 267 282 325 223 459 343 0.987 38.59 446.9 80 99 98 100 429 228.7 8.976 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4469 1866.6 8.1 scans 13% 74 m/z 1.9% 0.0158% 6024 1.1 70 24184 642622 604360 2-3 7: 74 87 228 256 143 60 75 0.441 39.45 505.1 65 89 50 86 256 13.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8785 1920.1 18.5 scans 94% 68 m/z 0.017% 13.8% 6097 0.1 1476 2604536 564158910 533823922 0-2 20: 68 95 123 82 81 69 55 43 67 57 83 41 97 109 71 96 124 111 79 137 1.000 39.94 551.0 81 100 100 100 278 96.7 0.429 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3230 1975.2 8.0 scans 37% 149 m/z (182) 0.32% 0.0416% 6172 1.0 112 142333 1692516 1596415 2-6 9: 149 150 223 104 76 167 50 132 328 0.953 40.31 600.3 69 94 76 94 223 26.8 5.671 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N406_R~1-N1110 Phytol 40.3944 1984.0 7.6 scans 83% TIC 0.17% 0.580% 6184 1.2 438 268214 0.594% 23563471 21303261 24127750 2-3 0.939 40.66 -33.2 92 96 92 95 278 50.6 1.332 -0.268 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6175 2011.7 6.9 scans 17% 221 m/z (69) 4.2% 0.00965% 6222 1.1 58 10972 391976 358500 3-3 14: 221 73 295 147 281 223 207 369 148 297 282 355 265 296 0.738 40.63 631.6 71 98 83 97 369 10.4 3.256 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1254 Phytol 40.8537 2041.0 8.0 scans 89% 82 m/z 0.17% 0.565% 6262 0.9 429 258105 22973127 22183776 1-3 20: 82 81 95 123 68 57 43 69 55 79 67 83 71 41 96 97 109 124 278 111 0.983 40.87 -1.7 99 99 98 99 278 58.0 1.824 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0030 2059.5 8.3 scans 51% 138 m/z 0.74% 0.0694% 6287 1.0 156 62049 2819696 2606354 2-0 18: 138 120 69 109 121 124 83 139 92 65 41 82 68 93 262 81 67 64 0.899 41.00 673.7 78 100 92 99 262 20.1 1.661 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1052 2072.2 9.6 scans 83% TIC 0.25% 0.618% 6305 1.0 413 185276 25111373 22876750 2-2 0.954 41.13 684.4 79 99 94 98 262 81.9 3.933 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2386 2088.7 8.1 scans 66% 79 m/z (191) 0.78% 0.122% 6327 1.2 188 58860 4978659 4541961 1-8 19: 79 67 93 91 95 80 108 55 81 41 94 77 107 59 78 135 105 122 66 0.957 41.26 -2.3 96 99 97 99 264 13.6 0.518 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4263 2112.0 8.5 scans 45% 205 m/z 0.62% 0.155% 6359 1.0 221 73874 6301773 5842682 2-2 20: 205 57 217 82 175 95 189 220 177 55 41 232 91 67 109 261 203 77 161 191 0.578 41.49 -84.6 80 98 64 96 276 16.9 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5674 2123.7 8.0 scans 17% 187 m/z (105) 3.9% 0.0142% 6383 0.9 65 11877 0.0161% 577508 519361 653968 2-0 8: 187 159 272 145 253 129 188 158 0.735 41.76 726.0 63 92 57 92 272 21.2 10.577 -0.194 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0054 2148.3 8.0 scans 93% 74 m/z 0.030% 1.55% 6457 0.8 698 1522760 63334032 60260759 2-2 20: 74 87 143 43 55 75 270 41 69 57 83 239 59 185 88 171 101 199 71 241 0.986 42.01 746.3 80 100 99 99 272 18.6 0.071 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.1247 2155.0 15.9 scans 51% 93 m/z (257) 1.2% 0.0904% 6477 1.0 162 37291 0.169% 3672612 3561116 6864629 1-0 20: 93 190 161 109 107 272 110 163 80 215 121 122 142 147 105 103 189 92 270 192 0.936 42.40 -15.4 64 67 70 66 272 24.0 2.212 -0.274 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1701 2157.6 13.7 scans 32% TIC 0.95% 0.114% 6485 0.5 162 48454 4640175 4222218 1-2 0.440 42.05 7.0 73 78 41 74 272 3.9 0.000 0.125 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3466 2167.5 8.4 scans 73% TIC 0.27% 0.174% 6515 1.2 238 169777 7076394 6396244 8-1 0.926 42.37 758.5 75 94 94 98 503 40.8 2.938 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 42.6258 2183.2 >7 scans 37% TIC 2.5% 0.0155% 6562 0.0 97 17986 0.0384% 631705 595316 1559774 1-0 0.695 43.15 -29.6 67 72 40 71 272 16.5 2.925 -0.528 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9936 2203.8 7.9 scans 58% 82 m/z (71) 0.53% 0.0609% 6624 0.9 134 86385 2476068 2283520 2-2 12: 82 81 95 292 83 191 109 190 94 96 108 175 0.897 43.03 781.7 60 85 85 94 292 15.9 1.403 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 43.1666 2213.5 11.2 scans 33% 121 m/z (83) 4.7% 0.0408% 6653 0.3 86 9807 1660317 1580844 0-2 20: 121 257 161 127 145 70 189 273 111 175 124 157 78 58 183 128 72 132 169 163 0.637 42.99 9.9 72 80 43 75 272 11.7 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1244 ?? Diterpene 43.4min RI2229 43.4098 2227.2 14.3 scans 21% 80 m/z (190) 10% 0.0131% 6695 1.5 52 4567 534836 493508 1-0 20: 80 191 135 163 67 107 119 257 136 122 132 117 173 145 137 149 189 77 187 53 0.729 43.44 -1.5 65 76 45 81 272 2.7 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5226 2233.5 8.4 scans 55% 81 m/z (138) 3.9% 0.0490% 6714 1.3 116 11716 1993989 1833065 1-2 20: 81 79 201 119 95 134 77 257 107 91 69 41 70 121 147 137 55 148 65 133 0.882 43.55 -1.7 90 96 86 95 272 14.4 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1238 Trachylobane 44.1365 2268.2 8.0 scans 63% 79 m/z 2.1% 0.0605% 6818 0.9 146 21824 2458812 2333384 1-1 20: 79 81 95 93 135 91 77 119 107 216 105 257 69 123 41 109 134 55 133 121 0.837 44.15 -1.1 96 99 83 97 272 19.3 1.737 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N419_R~1-N1158 ? Manool oxide 44.2705 2275.9 8.8 scans 85% 257 m/z (221) 0.59% 0.250% 6841 1.0 263 78191 10176436 9517156 2-1 20: 257 275 81 192 177 95 137 67 55 43 69 191 123 109 258 107 93 79 41 276 0.973 43.83 838.3 78 99 96 99 275 66.1 6.324 0.443 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1914 2328.9 9.8 scans 95% TIC 0.058% 3.37% 6997 0.5 934 796746 137280558 130245816 2-3 0.993 44.90 16.7 85 84 89 85 272 69.3 0.551 0.290 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8012 2364.0 7.7 scans 22% 73 m/z 2.4% 0.0138% 7100 1.1 67 19278 563941 529509 3-0 19: 73 355 147 221 281 356 357 327 504 401 295 429 282 267 415 74 341 430 222 0.713 45.78 1.4 89 92 63 90 503 7.4 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 45.8597 2367.4 8.9 scans 50% 204 m/z (74) 1.4% 0.0568% 7110 0.9 117 32436 2310397 2075498 3-1 10: 204 80 189 161 205 108 119 148 120 122 0.872 45.98 887.7 71 96 82 95 204 45.7 15.192 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9110 2370.4 7.5 scans 63% 74 m/z 0.15% 0.243% 7119 1.0 281 305148 9873324 9004451 2-5 13: 74 87 43 143 255 75 298 57 199 101 129 88 56 0.821 45.92 891.7 78 98 78 97 298 52.9 3.558 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0946 2380.9 8.6 scans 59% 79 m/z (189) 0.42% 0.203% 7150 1.1 235 110151 8279782 7580644 2-4 17: 79 95 93 67 245 80 108 81 91 41 107 121 77 94 135 246 149 0.791 46.13 -2.3 89 96 77 95 292 19.5 0.689 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4146 2399.3 8.7 scans 18% 177 m/z (191) 5.0% 0.0101% 7204 1.1 52 9281 411086 376019 2-2 4: 177 163 195 133 0.680 46.49 -4.7 87 93 59 89 290 9.2 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7570 2419.0 7.6 scans 67% 74 m/z 0.58% 0.0674% 7262 1.0 151 78689 2738298 2576973 2-4 20: 74 87 75 143 43 298 55 255 41 57 69 199 59 83 267 129 101 88 97 227 0.874 46.76 923.9 77 98 87 97 298 29.5 3.782 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4967 2461.6 22.7 scans 21% TIC 3.5% 0.00561% 7387 0.9 45 12894 0.00967% 228029 197215 392787 0-8 0.365 47.50 948.8 72 98 42 95 168 8.9 3.832 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN TAB_REP1-N1222 ?? Sclareol 47.9min 47.9252 2486.3 8.8 scans 10% 134 m/z (55) 20% 0.00194% 7460 0.5 22 2295 78915 75533 0-3 2: 134 123 0.456 47.95 -1.3 66 82 34 74 272 4.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9465 2545.1 7.4 scans 36% 73 m/z (145) 5.6% 0.00642% 7633 1.0 44 8154 260776 235624 2-6 17: 73 429 147 221 355 357 430 281 356 431 295 282 401 267 222 341 223 0.640 48.95 994.7 71 98 66 96 429 14.5 10.817 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3533 2626.0 8.2 scans 68% 74 m/z 0.93% 0.0491% 7871 1.1 122 49599 1996612 1787044 2-5 20: 74 87 43 326 75 143 55 57 97 283 69 227 41 101 59 327 111 199 71 269 0.805 50.36 1039.0 75 98 81 95 326 25.8 4.482 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6326 2872.2 10.0 scans 31% TIC 8.7% 0.00292% 8596 1.1 33 5325 118772 108706 1-1 0.575 45.81 1395.7 64 91 55 87 503 5.8 3.075 8.821 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0689 770.2 11.7 scans 63% 77 m/z 0.16% 0.103% 31 3.0 159 304481 5057759 4550808 1-3 16: 77 45 78 62 59 76 75 56 46 61 92 43 39 64 85 51 0.820 4.37 16.2 100 100 99 100 77 136.6 73.936 -0.302 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5902 835.8 15.8 scans 75% TIC 0.56% 0.0441% 458 2.3 98 87497 0.0482% 2167267 1754353 2365967 1-5 0.928 6.53 -141.0 80 99 90 99 207 73.2 55.700 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6877 864.4 >8 scans 68% 83 m/z 1.6% 0.0381% 644 0.9 122 30896 1870614 1705825 7-0 18: 83 69 41 39 55 42 57 80 79 53 81 56 51 43 50 99 37 84 0.809 7.71 9.1 97 97 85 97 98 36.6 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.3879 986.8 >12 scans 31% 283 m/z 2.1% 0.0135% 1440 13.1 61 22608 666112 666112 0-0 3: 283 75 250 0.266 12.22 40.5 87 97 57 98 281 37.2 36.618 0.168 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1016 ? Limonene 12.6134 992.6 8.4 scans 28% 121 m/z (95) 8.1% 0.00779% 1478 1.2 54 6055 0.00819% 382812 382812 402018 0-0 3: 121 136 122 0.710 13.89 17.3 72 82 63 82 136 11.5 4.559 -1.279 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6854 994.5 9.2 scans 85% 81 m/z 0.084% 0.366% 1490 1.6 319 583517 17985858 16444821 2-3 20: 81 110 53 39 79 67 41 68 65 77 51 82 95 66 50 40 54 109 52 91 0.968 13.22 30.9 95 96 95 99 110 95.2 8.894 -0.537 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9398 1001.2 8.1 scans 43% 56 m/z (72) 4.3% 0.0182% 1533 1.3 77 11381 896842 792503 1-3 15: 56 57 84 43 55 44 69 42 100 82 85 71 83 58 99 0.919 12.96 -173.6 65 89 83 88 110 4.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1400 1033.7 11.6 scans 94% 79 m/z 0.030% 1.98% 1737 0.6 684 1617119 97573340 88982776 2-7 20: 79 108 107 77 51 91 78 50 80 89 90 109 63 65 39 52 53 74 105 62 0.996 14.11 54.7 92 100 100 100 108 304.6 19.841 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4652 1042.5 8.9 scans 90% 91 m/z 0.057% 0.371% 1792 1.3 330 853226 18229143 16549877 2-6 20: 91 92 120 65 63 39 89 51 121 50 62 90 64 93 66 38 74 61 41 52 0.984 14.44 57.7 91 100 98 100 120 108.6 10.864 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0196 1057.5 8.1 scans 57% 70 m/z (99) 2.3% 0.0297% 1886 1.3 99 20615 1460119 1335705 1-1 16: 70 55 83 41 57 69 97 39 42 68 84 67 56 58 98 111 0.836 18.83 4.8 77 79 82 84 122 0.0 0.000 -3.810 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1831 1062.0 10.3 scans 90% TIC 0.080% 0.365% 1914 1.3 323 612477 0.474% 17940191 17068400 23266979 2-0 0.986 15.17 64.6 89 100 98 99 123 117.4 13.174 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN 98-86-2 ? Acetophenone 15.2693 1064.3 >10 scans 73% 105 m/z 0.21% 0.124% 1928 2.1 194 233953 6115420 5287988 1-2 20: 105 77 121 51 78 107 50 106 76 49 75 63 42 64 74 125 140 65 62 37 0.956 15.29 -181.4 79 99 97 99 120 62.0 10.190 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4340 1068.8 8.8 scans 75% 95 m/z (57) 0.16% 0.251% 1956 1.5 271 300458 12346164 11568408 1-4 17: 95 81 124 79 43 109 53 39 65 82 96 66 67 77 51 63 50 0.867 15.43 67.1 86 99 96 100 124 79.2 8.519 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2156 1089.9 8.5 scans 37% 132 m/z 3.1% 0.00902% 2089 1.2 58 15920 442881 395062 2-1 15: 132 117 115 131 116 92 64 89 65 63 66 102 99 93 52 0.744 16.25 -184.7 76 99 74 97 132 31.2 29.386 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1002 ? Undecane 16.6093 1100.9 9.2 scans 55% TIC 1.7% 0.0254% 2155 1.2 98 27725 1247605 1195923 1-0 0.713 16.59 0.9 79 87 82 90 156 10.2 1.100 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1016 Nonanal 16.7870 1108.4 9.2 scans 84% 57 m/z 0.24% 0.338% 2185 1.1 311 202592 16600656 14456167 4-3 20: 57 41 56 55 98 43 70 44 82 69 68 95 81 67 96 39 42 71 54 114 0.971 16.82 86.0 80 96 95 96 124 20.8 0.447 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9671 1116.1 >8 scans 90% TIC 0.27% 0.143% 2216 0.9 236 180536 7040206 6361727 1-1 0.985 16.97 91.4 80 97 96 100 128 56.6 5.766 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0910 1121.3 10.8 scans 92% 91 m/z 0.016% 1.85% 2237 0.6 696 3008030 91009022 81482268 3-5 20: 91 92 122 65 77 51 63 93 39 78 89 103 104 123 50 62 90 52 64 66 0.995 17.05 95.3 82 99 97 100 122 238.3 11.711 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0663 1162.5 9.5 scans 60% 267 m/z 0.94% 0.0473% 2402 1.7 116 52346 2322657 2126284 9-2 18: 267 355 73 356 268 325 252 207 249 357 269 237 270 340 179 339 253 205 0.875 18.13 -169.2 78 98 81 97 355 54.2 21.738 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7091 1189.6 8.5 scans 57% 98 m/z (102) 2.6% 0.0351% 2511 1.0 106 18748 1726652 1574582 1-1 19: 98 111 69 55 82 43 125 70 97 39 107 83 95 99 57 53 110 71 80 0.852 18.71 138.8 73 97 89 99 153 4.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.0604 1204.5 21.1 scans 47% 105 m/z (151) 1.0% 0.0543% 2571 0.3 95 45970 2666796 2496013 1-1 19: 105 122 77 50 74 51 123 106 97 94 109 78 126 87 37 66 128 61 84 0.888 20.03 133.8 72 95 91 95 122 46.2 23.516 -0.969 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1194 1207.0 8.2 scans 41% 82 m/z (137) 1.1% 0.0203% 2580 1.5 82 44182 1000454 948162 3-1 4: 82 43 54 83 0.958 19.12 149.9 70 93 88 96 97 14.1 2.950 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.2487 1212.4 9.6 scans 9.7% 119 m/z (56) 3.0% 0.00764% 2602 1.3 47 15998 375472 358471 4-0 3: 119 134 120 0.860 13.76 12.9 76 80 65 80 134 19.2 16.397 5.492 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8024 1235.8 9.2 scans 63% 57 m/z 0.40% 0.0944% 2696 1.6 171 122606 4638398 4311162 2-4 19: 57 45 41 75 87 56 89 72 101 85 71 59 73 60 44 55 131 132 61 0.857 19.81 168.3 77 98 90 99 144 2.2 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 20.3154 1257.5 9.5 scans 27% 43 m/z (132 91) 5.3% 0.00958% 2783 1.1 49 9236 470671 409931 5-2 13: 43 57 71 83 137 85 70 84 41 56 42 138 113 0.722 33.32 -9.5 69 83 83 84 226 0.0 0.000 -13.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1004 ? Dodecane 20.3154 1257.5 9.5 scans 25% 43 m/z (91) 5.1% 0.00863% 2783 1.1 47 9553 423676 369001 5-2 13: 43 57 71 83 137 85 70 84 41 56 42 138 113 0.695 20.32 -0.2 72 91 78 88 170 6.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1034 ? Decanal 20.5285 1264.0 8.1 scans 89% 57 m/z 0.23% 0.408% 2819 1.0 381 214608 20032238 18372785 5-2 20: 57 41 43 55 82 70 71 68 83 56 44 67 112 81 69 96 95 42 84 39 0.966 20.57 -143.0 74 91 95 99 138 20.6 0.293 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9388 1276.3 11.9 scans 49% 94 m/z (41) 0.53% 0.0562% 2888 1.5 117 92631 2759781 2497202 6-1 6: 94 138 66 45 139 76 0.850 20.98 191.3 72 93 86 98 152 3.7 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9772 1277.4 >13 scans 69% 129 m/z 0.61% 0.175% 2894 999.0 208 80515 0.239% 8634042 8344659 11731663 0-3 9: 129 135 138 147 150 125 66 116 62 0.685 21.00 192.1 66 86 59 87 155 1.9 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1254 1281.9 7.7 scans 16% 281 m/z 1.3% 0.0128% 2920 1.7 65 35376 631808 578313 1-5 16: 281 282 207 283 74 179 265 251 193 249 191 268 267 194 223 266 0.697 12.25 128.8 73 97 57 95 281 46.5 51.074 8.874 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2641 1286.0 >11 scans 59% TIC 1.8% 0.0374% 2944 1.1 133 26797 0.0910% 1838129 1810290 4466867 0-1 0.930 16.82 -5.4 69 67 76 79 124 10.2 0.589 4.449 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9034 1335.2 8.9 scans 46% 69 m/z (70) 0.17% 0.249% 3221 1.1 268 275367 12242398 11397127 6-2 11: 69 43 109 86 71 110 128 95 113 58 108 0.936 22.91 221.6 74 98 89 97 127 40.5 2.281 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 22.9654 1337.1 >9 scans 69% 60 m/z (135) 0.33% 0.175% 3232 0.4 230 145869 0.395% 8630585 8324914 19389150 0-2 20: 60 73 129 115 41 55 61 98 87 45 101 39 74 75 83 130 56 158 42 116 0.933 22.70 -138.2 71 93 85 98 158 16.5 0.516 0.269 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1016 ?? Nicotine 22.9654 1337.1 >9 scans 65% 60 m/z (57) 0.44% 0.165% 3232 0.4 223 111076 0.371% 8103292 7816296 18211075 0-2 20: 60 73 129 115 41 55 61 98 87 45 101 39 74 75 83 130 56 158 42 116 0.827 25.35 187.9 63 86 71 94 162 0.0 0.000 -2.389 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0853 1371.5 7.3 scans 59% 73 m/z 0.25% 0.141% 3421 1.0 237 197528 6930814 6569221 2-3 17: 73 341 429 342 325 343 147 430 431 326 311 82 57 74 68 344 432 0.727 24.17 -152.3 78 99 86 98 429 74.7 9.966 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6786 1391.3 8.4 scans 56% TIC 0.91% 0.0278% 3522 1.1 125 54087 0.0443% 1365375 1296833 2174530 5-0 0.858 24.70 251.7 69 91 81 94 170 2.1 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1921 1408.4 7.9 scans 28% 43 m/z 1.1% 0.0114% 3609 1.3 66 41342 561967 504005 1-4 9: 43 103 145 116 86 61 42 73 88 0.838 25.24 -151.5 73 99 86 98 145 26.2 15.768 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7860 1428.3 7.6 scans 87% 93 m/z 0.092% 0.375% 3710 0.9 380 533845 18417933 17461925 2-1 20: 93 121 136 43 91 79 77 194 94 81 41 123 107 108 95 67 122 92 137 39 0.964 25.78 273.0 75 95 91 96 194 59.4 2.442 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0918 1471.9 6.5 scans 51% 221 m/z 1.4% 0.0207% 3931 1.0 96 33291 1016513 948769 2-2 19: 221 73 147 281 222 355 223 282 148 267 357 283 149 205 74 445 268 45 339 0.878 27.12 297.0 76 97 85 96 355 19.3 4.043 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1686 1474.4 7.9 scans 76% 57 m/z (60) 0.44% 0.0866% 3944 1.0 176 110675 0.140% 4254602 4105014 6872104 2-0 20: 57 71 85 43 41 56 99 198 70 55 98 84 69 42 112 127 126 163 83 72 0.980 27.21 -1.4 96 98 97 98 198 22.0 1.567 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3758 1519.7 9.0 scans 20% 80 m/z (165) 2.6% 0.0103% 4149 1.0 55 18667 506160 454041 2-3 5: 80 123 171 149 78 0.604 28.39 326.3 62 91 75 94 171 23.9 18.589 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6538 1530.1 8.4 scans 64% 43 m/z (166) 0.34% 0.135% 4196 1.0 201 141335 0.156% 6665095 5854466 7657487 0-8 15: 43 69 41 136 107 151 125 93 67 121 108 109 39 53 161 0.926 28.67 332.7 74 98 93 98 194 13.7 0.461 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0895 1546.5 7.5 scans 76% 71 m/z (166) 0.28% 0.214% 4269 1.2 276 173821 0.249% 10508972 10058427 12222527 1-0 20: 71 57 85 43 41 70 177 141 55 99 113 56 112 220 84 183 163 135 97 149 0.959 29.09 342.8 75 98 97 98 220 33.3 1.456 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5080 1562.2 8.6 scans 81% TIC 0.058% 0.845% 4340 1.2 535 849368 41496354 39175590 1-2 0.922 29.61 -150.9 79 99 91 99 503 95.4 3.185 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7625 1571.8 8.4 scans 82% TIC 0.041% 0.431% 4383 1.0 395 1187440 21160695 19472668 0-3 0.962 29.77 357.8 78 97 95 98 193 33.2 0.708 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9337 1578.2 9.0 scans 64% 71 m/z (167) 0.49% 0.124% 4412 1.0 181 99605 6094202 5623391 1-1 14: 71 85 57 43 99 113 127 155 84 70 56 114 211 144 0.968 29.94 361.8 73 96 95 97 254 4.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 30.1793 1587.5 >12 scans 26% 169 m/z (57) 2.2% 0.0237% 4453 1.0 88 22471 1167260 1167260 0-0 6: 169 112 171 128 142 126 0.859 30.38 -7.4 72 80 80 78 212 0.0 0.000 -0.198 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4957 1599.9 8.1 scans 83% 191 m/z 0.044% 0.404% 4507 1.0 385 1111043 19857401 18246733 2-1 20: 191 206 192 57 163 74 175 91 115 41 107 207 73 147 88 77 128 161 105 117 0.969 30.50 375.1 80 100 96 99 206 104.6 7.389 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8209 1613.6 8.3 scans 53% 124 m/z (57) 0.60% 0.0651% 4562 1.1 147 82256 3196050 2988824 2-4 9: 124 137 125 180 138 54 82 96 181 0.961 30.81 384.2 76 99 97 99 180 39.0 7.016 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8806 1616.1 8.8 scans 51% 161 m/z (118) 0.96% 0.0637% 4572 1.1 142 51450 3129154 2966763 1-2 18: 161 162 147 119 204 105 134 189 77 133 148 117 163 115 164 145 103 166 0.932 30.88 0.1 86 88 80 90 204 31.7 4.979 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2159 1630.2 10.4 scans 82% 111 m/z 0.062% 0.849% 4630 0.5 490 785916 41680108 38083655 3-3 20: 111 109 137 67 180 43 110 152 124 95 41 79 81 39 77 69 112 53 65 93 0.953 31.18 395.2 77 97 94 98 180 110.5 5.080 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN GLAU_R~1-N1084 ?? Pentadecane 31.3204 1634.5 >10 scans 43% 71 m/z 0.89% 0.0516% 4647 1.1 139 55210 2537106 2323078 0-4 19: 71 85 57 43 99 155 127 69 113 169 161 55 41 105 84 56 70 111 126 0.777 24.54 497.2 65 92 86 94 169 20.7 2.220 6.778 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5034 1642.2 9.1 scans 54% 43 m/z (149) 0.71% 0.0573% 4678 1.0 133 69573 2814998 2699627 1-2 17: 43 98 111 55 127 81 82 68 41 83 166 107 67 99 58 39 114 0.844 31.52 -0.5 92 98 86 96 166 28.2 4.515 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6279 1647.5 8.4 scans 38% 71 m/z (190) 2.2% 0.0314% 4699 1.3 99 22055 1544296 1368154 1-3 20: 71 57 85 43 99 342 73 69 237 84 183 55 239 325 163 113 127 114 70 169 0.785 31.63 -0.2 72 93 83 89 429 10.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9201 1659.7 8.2 scans 46% 83 m/z (143) 1.1% 0.0453% 4749 0.9 122 44232 2228340 2049543 3-1 7: 83 82 55 97 125 155 179 0.923 31.92 0.0 70 72 85 82 219 2.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0665 1665.9 6.6 scans 61% 221 m/z (71) 0.45% 0.0712% 4774 0.9 171 108851 3497457 3258471 2-1 20: 221 73 147 295 207 222 341 355 223 296 325 281 342 267 297 208 74 343 356 358 0.941 32.08 -0.5 95 98 94 98 355 30.5 3.170 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2283 1672.7 8.8 scans 48% 57 m/z (121) 0.74% 0.0709% 4801 1.0 148 66052 3481603 3246942 1-1 19: 57 71 85 43 149 105 41 77 113 183 55 162 135 99 70 107 100 91 42 0.914 32.24 -0.4 87 95 92 95 226 6.4 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4349 1681.4 8.2 scans 62% 57 m/z (149) 0.57% 0.0953% 4836 1.0 178 85372 4680293 4315710 0-2 20: 57 85 71 43 41 56 197 196 55 113 99 82 69 70 168 169 127 141 83 198 0.967 32.44 -0.3 87 92 93 92 226 8.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.7 scans 67% 205 m/z 1.2% 0.125% 4875 1.2 211 39868 6169381 5617433 1-10 19: 205 91 119 105 93 159 79 43 131 107 147 162 77 41 106 121 67 146 145 0.900 32.67 -0.4 94 96 87 96 220 14.2 0.452 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9272 1702.1 8.0 scans 43% 71 m/z 0.11% 0.125% 4919 0.8 211 428931 6147650 5510165 4-2 10: 71 43 159 111 243 155 173 72 143 89 0.819 32.93 -0.2 94 97 87 95 243 37.9 3.231 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0795 1708.5 7.1 scans 39% 97 m/z 1.8% 0.0247% 4945 1.2 119 26494 1217148 1130636 6-1 18: 97 83 69 55 70 57 56 41 43 84 85 112 68 82 54 98 125 67 0.780 33.09 -0.2 88 95 78 92 224 8.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3068 1718.0 7.4 scans 77% 57 m/z (73) 0.20% 0.221% 4983 0.7 274 236395 10858576 9951493 2-2 19: 57 71 85 43 41 55 99 56 70 69 113 226 84 42 83 98 112 141 155 0.965 33.37 -2.8 95 99 96 99 226 32.0 1.367 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.9 scans 17% TIC 3.0% 0.00327% 5083 0.9 63 16286 160630 160630 0-0 0.603 33.90 -0.1 84 91 63 87 197 15.1 5.681 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2702 1733.6 7.7 scans 51% 57 m/z (151) 0.86% 0.0482% 5147 1.0 134 57261 2366765 2341774 1-0 18: 57 71 43 85 211 210 98 41 99 182 56 113 127 183 70 196 141 53 0.924 34.27 0.0 89 94 91 97 211 25.2 3.541 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3783 1735.2 8.7 scans 96% 355 m/z 0.013% 4.16% 5165 0.8 1185 3682779 204292612 197141292 2-1 20: 355 73 147 356 357 282 415 327 267 283 207 74 148 358 223 149 417 75 191 328 0.998 34.39 452.2 81 100 99 100 415 147.6 1.553 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7767 1740.9 12.7 scans 84% TIC 0.045% 0.995% 5233 0.3 487 1078654 48884434 44887563 1-2 0.972 34.79 451.9 80 100 97 99 199 141.0 8.377 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9007 1742.7 8.1 scans 44% 68 m/z (71) 0.73% 0.0904% 5254 1.1 172 66947 4438804 4028692 2-4 6: 68 69 97 111 126 154 0.916 34.90 -0.0 93 95 97 98 224 22.5 1.721 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3446 1749.0 8.5 scans 65% TIC 0.39% 0.156% 5329 0.9 253 125436 7669100 7235694 3-0 0.812 35.35 451.6 75 100 84 98 196 23.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9297 1757.4 9.1 scans 59% 91 m/z (73) 0.55% 0.201% 5428 1.2 243 88536 9898642 9148150 2-3 19: 91 55 83 148 97 155 69 41 184 70 111 56 65 105 93 82 84 133 119 0.959 35.94 451.0 69 93 88 93 238 9.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4987 1765.5 7.1 scans 28% 221 m/z 0.49% 0.0785% 5524 1.0 179 100184 3854162 3520670 2-3 19: 221 73 147 295 207 222 281 369 341 296 223 148 370 282 327 208 355 197 74 0.860 36.58 449.0 76 99 89 98 369 29.2 2.671 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.3 scans 56% 209 m/z 0.22% 0.133% 5643 0.9 219 223845 6547965 6282118 1-1 20: 209 224 181 165 210 167 178 105 166 179 225 103 194 77 193 115 152 91 182 119 0.870 37.20 449.2 78 99 88 99 224 72.4 10.885 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3057 1777.1 10.1 scans 51% 85 m/z (115) 0.86% 0.0941% 5661 1.2 161 56951 4623724 4392872 0-3 18: 85 57 71 43 225 84 99 55 41 69 224 113 56 211 70 127 169 97 0.915 38.91 -22.9 78 86 92 85 254 3.6 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0566 1787.8 7.9 scans 67% 57 m/z 0.28% 0.135% 5788 1.0 237 172643 6664259 6228038 2-1 19: 57 71 85 43 56 41 225 55 99 224 113 127 69 97 141 70 155 98 226 0.919 38.06 448.1 77 98 91 97 225 49.3 4.335 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5672 1795.1 9.1 scans 93% 73 m/z 0.020% 2.86% 5875 0.9 951 2377645 140444815 129567196 2-3 20: 73 429 147 221 430 281 341 431 207 401 357 222 74 148 282 295 267 325 459 327 0.992 38.59 447.0 80 99 98 99 429 285.0 8.978 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 39.4799 1870.7 10.1 scans 5.1% TIC 3.1% 0.00553% 6029 0.7 48 15896 271552 239104 4-2 0.108 40.24 496.8 64 92 10 87 272 13.3 7.554 -0.764 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.9651 1930.8 >22 scans 94% 95 m/z 0.014% 16.1% 6112 0.1 1630 3373356 16.9% 790578467 790578467 829561083 0-0 20: 95 123 68 82 81 55 67 43 41 83 57 124 109 71 79 85 56 53 94 42 1.000 39.94 561.7 81 100 100 100 278 116.5 0.511 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1020 ? Hexahydrofarnesyl acetone 39.9988 1935.0 >5 scans 42% 58 m/z 0.18% 0.136% 6117 1.7 297 266035 6722544 6147116 0-9 12: 58 43 59 71 85 109 110 250 124 113 125 210 0.832 39.98 565.3 73 96 95 96 268 13.6 0.209 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9988 1935.0 >4 scans 70% TIC 0.16% 0.206% 6117 3.3 381 305390 10156598 8263530 0-6 0.872 39.88 566.7 73 95 86 94 250 42.2 1.228 0.116 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3500 1978.5 7.7 scans 38% 149 m/z (163) 0.18% 0.0671% 6177 1.0 154 274235 3296604 3048321 3-4 11: 149 150 223 104 76 167 132 205 50 206 74 0.940 40.31 603.6 71 95 77 96 223 35.4 5.255 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N406_R~1-N1110 Phytol 40.4120 1986.2 7.5 scans 85% 81 m/z (163) 0.15% 0.633% 6187 0.9 478 315377 0.697% 31100998 28956688 34213259 2-1 20: 81 82 95 68 123 43 57 79 69 67 83 55 96 41 124 109 71 97 110 278 0.993 40.66 -31.0 93 98 99 98 278 55.2 1.333 -0.250 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5921 2008.5 7.3 scans 53% 221 m/z 0.43% 0.0894% 6218 1.1 188 112926 4391621 4056649 2-3 20: 221 73 147 295 207 222 369 223 281 296 282 370 148 297 283 355 401 74 341 208 0.905 40.63 628.4 74 95 90 99 369 32.7 3.028 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1254 Phytol 40.8678 2042.7 8.7 scans 58% 82 m/z (239) 0.13% 0.543% 6264 1.1 411 364763 26683405 25112612 2-3 20: 82 81 95 123 68 79 43 67 96 71 109 278 124 53 137 110 94 80 77 93 0.665 40.87 0.0 93 97 63 96 278 68.6 2.778 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0183 2061.4 8.8 scans 46% 138 m/z 0.59% 0.0836% 6290 1.2 177 83375 4107257 3734042 2-1 13: 138 109 120 69 121 124 92 65 82 262 93 246 139 0.850 41.00 675.6 78 100 92 99 262 23.6 1.783 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2485 2089.9 7.8 scans 36% 79 m/z (195) 2.1% 0.0413% 6329 1.3 120 23102 2031544 1888467 1-2 15: 79 67 93 80 108 91 95 77 105 94 149 121 87 268 68 0.871 41.26 -1.1 83 93 87 92 264 7.5 0.393 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4345 2113.0 8.6 scans 26% TIC 0.45% 0.122% 6360 1.0 213 107945 5995822 5700991 3-2 0.310 41.49 -83.6 73 98 35 91 276 18.3 0.000 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0006 2148.1 8.2 scans 68% 74 m/z (267) 0.11% 0.401% 6457 1.0 370 448886 19728397 18436645 2-2 20: 74 87 143 43 55 75 227 270 41 69 57 239 129 59 83 88 185 101 171 97 0.822 42.01 746.1 76 99 95 99 272 20.4 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0224 2149.3 9.2 scans 31% 93 m/z (74) 0.91% 0.176% 6460 1.0 228 54101 8649419 7801921 3-1 20: 93 105 107 119 91 81 229 121 79 133 77 95 147 135 134 108 109 149 145 120 0.845 42.05 -1.3 94 98 86 98 272 27.5 1.454 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3271 2166.4 8.0 scans 80% 73 m/z 0.13% 0.326% 6512 1.0 341 353970 16010586 15016638 2-3 20: 73 147 281 221 355 429 503 207 341 282 222 430 504 283 356 415 74 148 295 505 0.952 42.37 757.4 74 93 93 98 503 58.4 2.926 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3808 2169.4 8.2 scans 24% 161 m/z (73) 3.8% 0.0257% 6520 1.0 92 12687 1266403 1211055 2-1 14: 161 91 93 229 79 77 107 121 162 92 187 173 53 201 0.803 42.40 -1.0 85 93 79 91 272 9.0 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1248 ? Diterpene 42.9min RI2199 42.8903 2198.0 9.1 scans 14% 148 m/z (146) 6.1% 0.00892% 6607 1.0 51 8095 437840 385005 4-0 11: 148 147 133 145 115 106 273 189 201 190 257 0.756 42.90 -0.7 77 87 62 84 272 7.0 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 42.9788 2203.0 7.9 scans 11% 134 m/z (85) 1.6% 0.0294% 6622 0.8 89 30548 1444802 1267450 7-0 9: 134 207 227 149 259 66 257 199 162 0.206 42.99 -0.6 65 77 28 74 272 10.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9959 2203.9 8.2 scans 61% 82 m/z (85) 0.17% 0.144% 6625 0.9 219 290048 7081794 6562993 4-3 12: 82 95 81 292 109 96 94 53 137 108 248 293 0.899 43.03 781.8 64 91 85 92 292 28.5 1.686 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N406_R~1-N1112 ? Phyllocladene 43.1718 2213.8 9.9 scans 10% 98 m/z (161) 8.5% 0.0102% 6655 0.7 53 5754 504819 436310 1-2 20: 98 187 188 127 189 91 204 272 121 105 95 159 109 115 123 133 148 162 257 59 0.645 43.24 -3.6 72 88 48 86 272 11.4 4.690 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5225 2233.5 9.4 scans 31% 70 m/z (229) 3.5% 0.0289% 6714 0.9 90 13785 1422940 1258515 4-1 7: 70 91 79 216 138 92 106 0.634 43.55 -1.7 75 92 63 87 272 9.1 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N419_R~1-N1158 ? Manool oxide 43.7698 2247.4 8.3 scans 49% 275 m/z (74) 2.5% 0.0469% 6756 1.1 124 19335 2306177 2160637 1-2 16: 275 257 177 192 81 137 95 191 123 82 125 109 276 258 193 114 0.903 43.83 809.8 75 98 88 97 275 34.4 7.654 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9729 2316.4 9.1 scans 51% 131 m/z 2.0% 0.0726% 6960 0.9 152 24123 3565026 3122309 4-7 19: 131 105 91 145 119 157 133 185 159 171 270 134 79 143 93 129 77 227 128 0.726 44.99 856.0 75 99 80 97 270 25.5 2.822 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1583 2327.0 9.3 scans 56% TIC 0.74% 0.181% 6991 1.1 240 66068 0.205% 8919268 7656025 10062723 2-3 0.691 44.90 14.8 86 89 68 87 272 19.9 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN N6_REP1-N1178 ?? UNK Alkene structure 45.4517 2343.9 11.2 scans 48% 81 m/z (111) 1.7% 0.0716% 7041 2.1 129 27610 3517394 3214254 1-2 15: 81 43 149 79 107 68 69 97 93 53 82 280 108 133 134 0.817 45.47 874.0 68 96 79 92 288 5.2 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7823 2362.9 7.6 scans 22% 73 m/z 1.2% 0.0326% 7097 1.0 113 41110 1601325 1493054 2-3 8: 73 355 147 221 281 356 207 172 0.364 45.78 0.3 91 96 79 95 503 11.4 1.015 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9110 2370.3 7.8 scans 24% 87 m/z (207) 1.7% 0.0174% 7118 1.1 78 28114 855251 785074 1-2 11: 87 255 143 199 256 101 88 213 299 185 267 0.828 45.92 891.6 66 93 68 91 298 15.6 4.016 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0940 2380.9 8.6 scans 68% 79 m/z (159) 0.65% 0.140% 7150 0.9 206 75475 6895355 6388333 2-2 18: 79 67 95 93 108 80 81 55 94 41 135 77 121 59 136 87 149 78 0.953 46.13 -2.3 91 94 93 96 292 15.6 0.573 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4216 2399.7 9.0 scans 28% 177 m/z (85) 1.6% 0.0370% 7205 1.0 103 30437 1818606 1581050 2-5 12: 177 195 107 178 161 148 291 134 119 133 103 272 0.801 46.49 -4.3 90 96 77 93 290 15.9 2.385 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7575 2419.1 8.0 scans 31% 74 m/z (167) 2.1% 0.0160% 7262 1.0 73 22628 785477 705286 4-5 8: 74 87 75 241 199 101 213 298 0.825 46.76 924.0 70 95 77 93 298 15.2 4.345 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2646 2448.3 8.6 scans 42% 134 m/z (98) 4.7% 0.0194% 7348 0.8 77 10444 954150 829806 0-6 7: 134 119 120 133 161 92 178 0.741 47.36 -5.2 84 94 76 91 272 7.3 0.000 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4954 2461.6 8.3 scans 51% 120 m/z (237) 2.1% 0.0225% 7387 1.2 86 22824 1105792 1021973 1-7 10: 120 121 70 139 306 84 65 92 126 86 0.853 47.50 948.8 74 99 88 98 168 10.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9086 2485.3 8.1 scans 26% 134 m/z (82) 8.0% 0.00802% 7457 1.3 48 6124 393957 311911 10-5 8: 134 79 272 93 119 133 148 189 0.603 47.95 -2.3 83 95 62 90 272 6.4 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9287 2544.1 8.0 scans 49% 73 m/z (117) 2.8% 0.0137% 7630 1.1 68 17183 674551 628438 4-8 19: 73 429 147 355 221 283 356 281 430 325 357 207 222 431 74 358 369 265 401 0.740 48.95 993.7 68 98 78 97 429 21.2 9.616 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9287 2544.1 8.0 scans 46% 73 m/z 2.8% 0.0120% 7630 1.1 66 17496 593211 552658 4-8 19: 73 429 147 355 221 283 356 281 430 325 357 207 222 431 74 358 369 265 401 0.710 51.86 913.2 70 93 66 90 503 5.5 0.000 -2.929 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3514 2625.9 8.5 scans 37% TIC 3.0% 0.00794% 7871 1.4 58 15965 389984 347043 1-3 0.617 50.36 1038.9 63 89 58 86 326 15.4 7.199 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8089 2652.2 9.2 scans 19% TIC 11% 0.00150% 7948 1.2 28 4401 73799 72101 1-0 0.513 44.32 1204.9 64 93 49 89 369 9.1 10.407 6.489 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6189 2871.5 9.6 scans 42% 355 m/z (221) 3.9% 0.00994% 8594 1.1 52 12439 487918 436357 2-4 12: 355 295 73 429 281 222 503 356 401 205 431 296 0.634 45.81 1395.0 62 92 65 89 503 7.2 1.925 8.807 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0708 770.2 7.9 scans 80% 77 m/z 0.10% 0.152% 31 3.4 219 423703 6244516 5641352 1-3 16: 77 45 55 78 79 62 76 59 75 84 63 92 46 61 56 58 0.967 4.37 16.2 96 95 91 100 77 180.3 67.719 -0.300 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.1712 824.9 8.7 scans 54% 57 m/z (44 80) 1.6% 0.0133% 387 0.4 65 26081 0.0273% 547133 500553 1118756 2-0 15: 57 41 45 59 39 87 56 42 102 83 55 58 79 50 38 0.890 6.03 -136.7 70 97 88 96 102 7.5 1.332 0.138 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5904 835.8 15.1 scans 74% 207 m/z 0.62% 0.0466% 458 2.4 98 70950 1911108 1872553 1-0 19: 207 96 191 178 134 119 210 165 149 193 103 192 163 89 115 177 75 117 67 0.889 6.53 -141.0 80 100 87 99 207 73.8 57.039 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6825 864.3 9.1 scans 93% 83 m/z (67) 0.42% 0.200% 643 1.4 263 104133 0.365% 8218159 7967877 14957729 5-0 20: 83 69 55 41 39 42 57 98 70 97 80 43 56 53 79 40 54 38 51 68 0.995 7.71 9.0 99 100 100 100 98 54.9 4.365 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8963 1000.0 10.2 scans 31% 281 m/z 0.75% 0.0317% 1526 2.7 93 58649 1299902 1170748 1-2 20: 281 282 283 207 41 134 265 72 284 55 191 133 266 111 69 56 85 250 251 163 0.407 12.22 53.7 87 99 73 99 281 67.1 52.125 0.676 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.3030 1011.0 9.1 scans 74% 81 m/z 0.22% 0.141% 1595 1.7 209 196947 5810240 5404998 2-4 20: 81 110 53 39 41 79 67 68 65 77 82 51 95 66 50 109 54 40 52 111 0.909 13.22 47.4 90 96 91 99 110 61.8 8.714 0.081 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1022 ?? Octanal 13.5309 1017.2 8.0 scans 59% 84 m/z (98) 4.3% 0.0277% 1634 1.4 94 10175 1138613 1007241 1-4 14: 84 57 41 56 55 44 85 69 68 109 42 108 100 82 0.955 12.96 -157.6 69 89 93 99 110 9.3 0.971 0.576 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1016 ? Limonene 14.4199 1041.3 8.3 scans 46% 68 m/z 0.61% 0.0962% 1784 1.2 187 71468 3944579 3709632 1-3 20: 68 93 67 79 94 121 124 136 92 53 39 107 91 77 81 123 95 80 65 51 0.886 13.89 66.0 76 84 79 96 136 36.7 3.871 0.528 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6135 1046.5 10.6 scans 94% 79 m/z 0.037% 1.60% 1817 0.8 650 1167279 65953661 59338177 2-7 20: 79 108 107 77 51 91 78 50 80 89 90 109 63 39 65 52 53 74 105 62 0.997 14.11 67.5 89 100 100 100 108 286.6 19.465 0.505 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9234 1054.9 9.0 scans 88% 91 m/z 0.074% 0.309% 1870 1.3 307 595885 12697319 11488265 2-5 20: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 74 66 41 38 61 52 0.981 14.44 70.1 88 100 99 100 120 100.8 10.766 0.481 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.4394 1068.9 8.2 scans 40% 41 m/z (82) 5.1% 0.0125% 1956 0.8 65 8552 515060 434155 1-3 11: 41 69 93 40 53 68 67 98 79 95 111 0.907 18.83 16.2 74 76 77 78 122 1.9 0.000 -3.391 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5911 1073.0 >12 scans 85% 105 m/z 0.10% 0.305% 1983 1.1 303 420862 0.623% 12501884 12051398 25530590 3-0 20: 105 77 123 51 46 106 94 50 109 78 124 74 76 75 52 79 49 53 64 95 0.948 15.17 75.6 86 99 98 99 123 107.9 12.714 0.421 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN 98-86-2 ? Acetophenone 15.6791 1075.4 9.4 scans 81% 105 m/z 0.082% 0.335% 1998 1.0 342 534431 0.480% 13768825 13010368 19670439 0-2 20: 105 77 120 51 50 106 43 78 74 121 63 39 62 52 91 65 38 49 89 61 0.993 15.29 -170.3 79 98 98 99 120 122.1 12.722 0.386 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8119 1079.0 8.1 scans 58% TIC 0.20% 0.121% 2020 1.4 231 212519 4984234 4517061 1-4 0.773 15.43 77.3 77 94 80 97 124 73.3 10.039 0.379 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.5498 1099.0 7.2 scans 16% 132 m/z (123) 9.7% 0.00259% 2145 1.2 33 4521 106397 99302 0-1 7: 132 115 117 99 91 116 81 0.630 16.25 -175.6 67 97 63 96 132 18.6 32.658 0.296 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1002 ?? Undecane 16.9064 1113.5 8.9 scans 48% 57 m/z 2.3% 0.0221% 2205 1.4 89 18500 908464 819634 1-2 17: 57 71 267 43 41 93 55 85 80 69 98 56 70 283 83 112 72 0.661 16.59 13.5 67 78 76 89 156 10.1 0.000 0.319 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0788 1120.8 9.1 scans 89% 57 m/z (139) 0.27% 0.352% 2235 1.2 319 158854 14427899 13020604 4-5 20: 57 41 56 55 43 98 70 44 82 69 68 95 81 96 67 39 42 71 54 114 0.996 16.82 -170.6 78 99 99 99 124 20.1 0.397 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0788 1120.8 9.1 scans 86% 57 m/z 0.27% 0.316% 2235 1.2 313 160171 12967063 11702258 4-5 20: 57 41 56 55 43 98 70 44 82 69 68 95 81 96 67 39 42 71 54 114 0.976 16.82 98.4 77 96 96 96 124 20.4 0.000 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2641 1128.6 >7 scans 84% TIC 0.40% 0.0793% 2266 0.8 204 109334 3251076 3128308 1-0 0.985 16.97 103.9 78 97 96 100 128 48.8 5.710 0.296 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.3698 1133.1 10.2 scans 93% 91 m/z 0.018% 1.64% 2284 0.7 684 2342677 67450580 62800626 2-5 20: 91 92 122 65 77 51 63 39 89 93 78 103 104 123 50 62 90 64 52 74 0.994 17.05 107.1 81 99 98 100 122 231.4 11.441 0.318 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2795 1171.5 8.8 scans 60% 73 m/z 0.82% 0.0437% 2438 1.6 120 53817 0.0446% 1791433 1625770 1827712 1-6 20: 73 267 355 268 356 269 205 270 251 74 179 249 357 170 207 154 162 339 223 59 0.826 18.13 -160.2 78 99 79 98 355 52.7 19.358 0.148 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.2795 1171.5 8.8 scans 63% 73 m/z (75) 0.76% 0.0482% 2438 1.6 123 57873 0.0492% 1975602 1792907 2016220 1-6 20: 73 267 355 268 356 269 205 270 251 74 179 249 357 170 207 154 162 339 223 59 0.877 18.09 129.9 75 98 91 98 355 52.2 18.148 0.187 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.3710 1175.4 9.7 scans 58% 144 m/z 0.60% 0.0802% 2454 1.3 156 73053 3288979 2962225 2-4 10: 144 43 101 44 72 45 145 58 54 100 0.918 18.22 131.9 73 93 84 93 144 71.6 21.137 0.150 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN M4942-N1002 ? Pyranone 18.3722 1175.4 10.1 scans 64% TIC 0.55% 0.0789% 2454 1.4 163 79697 3233922 2940602 0-2 0.886 20.04 -215.1 77 97 83 96 144 73.1 20.126 -1.670 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9277 1198.9 8.6 scans 50% 111 m/z (92) 3.7% 0.0220% 2547 0.8 87 11836 905333 860489 1-0 16: 111 98 55 82 69 43 125 41 95 112 110 135 100 83 126 71 0.839 18.71 148.1 71 96 85 97 153 1.9 0.000 0.222 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.2228 1211.4 19.3 scans 45% 122 m/z (110) 1.2% 0.0486% 2598 0.3 91 36245 1991891 1902461 0-1 18: 122 105 51 50 123 109 74 146 76 138 94 68 115 66 112 151 38 41 0.846 20.03 140.7 72 95 91 96 122 41.1 20.249 -0.806 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.3008 1214.6 8.2 scans 41% 82 m/z 1.3% 0.0146% 2611 1.4 81 32065 602312 551540 1-1 12: 82 81 43 54 39 53 97 111 38 42 69 37 0.841 19.12 157.5 75 100 86 99 97 13.3 0.000 0.180 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.4318 1220.2 9.1 scans 5.8% 119 m/z (70) 6.2% 0.00377% 2633 1.8 34 7111 154492 142629 2-0 2: 119 134 0.829 13.76 20.7 74 83 65 82 134 14.5 18.021 5.675 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.9726 1243.0 10.0 scans 36% 45 m/z (69) 2.7% 0.0183% 2725 1.4 70 16380 753865 668757 3-4 6: 45 57 75 62 89 100 0.905 19.81 175.5 67 94 85 95 144 1.9 0.000 0.159 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4572 1261.8 10.7 scans 27% 57 m/z (107) 5.1% 0.00869% 2807 1.2 48 8609 356505 312302 3-2 11: 57 71 43 112 84 122 73 56 98 58 127 0.764 20.32 4.1 87 94 72 91 170 6.2 0.000 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1034 ? Decanal 20.6615 1267.9 8.2 scans 82% 57 m/z (110) 0.46% 0.231% 2842 0.8 275 94572 9483206 8631257 3-2 19: 57 41 55 82 70 71 68 44 83 56 112 67 69 81 96 84 42 39 54 0.983 20.57 -139.1 76 97 98 99 138 14.8 0.291 0.092 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0765 1280.4 9.7 scans 49% 94 m/z (137) 0.78% 0.0404% 2912 1.4 106 56671 1657093 1542164 2-2 10: 94 66 88 45 87 144 99 143 76 139 0.881 20.98 195.4 73 95 92 99 152 4.2 0.000 0.093 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1296 1282.0 8.6 scans 81% 137 m/z (94) 0.53% 0.161% 2921 1.0 234 82802 6628419 6344494 3-1 17: 137 152 109 123 81 67 91 79 95 93 41 39 107 119 55 53 153 0.982 21.00 196.7 65 86 84 86 155 0.0 0.000 0.129 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2258 1284.9 8.3 scans 20% 281 m/z 1.6% 0.0123% 2938 1.5 63 26757 507969 468506 2-4 15: 281 282 283 115 193 265 284 207 208 251 194 179 191 209 144 0.700 12.25 131.8 74 97 68 96 281 45.3 52.278 8.975 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1006 ? Tridecane 22.5924 1325.9 7.5 scans 41% 85 m/z 2.1% 0.0154% 3169 1.1 89 20382 634407 588598 1-1 16: 85 43 57 71 41 55 56 99 69 141 83 155 70 42 86 111 0.781 23.86 -38.1 71 79 78 80 184 0.0 0.000 -1.270 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9856 1337.7 9.4 scans 42% 69 m/z (85) 0.24% 0.219% 3235 1.1 251 183363 9004180 8116966 6-3 13: 69 109 43 86 71 110 128 67 127 95 170 108 100 0.816 22.91 224.1 72 97 89 97 127 32.3 1.653 0.073 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.1349 1342.2 >13 scans 77% 73 m/z 0.25% 0.342% 3261 0.2 287 175080 14019631 11425826 1-10 20: 73 60 57 129 115 41 55 43 87 98 69 39 61 101 45 158 56 42 83 96 0.972 22.70 -133.1 76 94 94 98 158 20.7 0.519 0.439 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.1349 1342.2 >12 scans 76% TIC 0.25% 0.269% 3261 0.2 286 172360 11059485 9346162 0-8 0.972 25.35 193.0 76 96 93 99 162 0.0 0.000 -2.219 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1320 1373.0 7.2 scans 54% 73 m/z 0.30% 0.0984% 3429 1.2 201 144498 4034218 3644445 3-6 20: 73 341 429 342 325 147 343 430 431 326 74 207 75 327 344 148 432 251 249 59 0.903 24.17 -150.8 79 99 88 98 429 57.3 8.107 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.5954 1388.5 7.6 scans 47% 71 m/z 1.3% 0.0227% 3508 1.2 103 32792 934275 885634 1-4 18: 71 57 85 43 99 41 70 127 84 169 155 56 58 113 42 112 126 196 0.763 24.54 251.2 73 98 77 96 169 12.9 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7324 1393.1 8.4 scans 60% 43 m/z (72) 1.3% 0.0417% 3531 1.4 115 32212 1711431 1545590 1-3 18: 43 83 142 69 82 41 113 58 55 56 53 111 70 93 67 86 127 39 0.959 24.70 253.5 69 90 88 97 170 4.5 0.000 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2336 1409.8 7.7 scans 33% 43 m/z 0.77% 0.0176% 3616 0.9 84 56945 722130 647015 4-4 9: 43 145 103 116 115 86 61 74 137 0.845 25.24 -150.1 75 100 86 98 145 31.8 14.380 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5140 1419.2 17.5 scans 36% TIC 0.81% 0.0929% 3664 2.1 138 54108 3810187 3475808 4-2 0.505 25.89 262.2 75 97 64 96 162 48.6 12.448 -0.378 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8263 1429.6 7.7 scans 69% 93 m/z (85) 0.35% 0.109% 3716 0.9 203 124779 4481466 4155720 2-1 18: 93 121 136 43 91 77 79 194 81 94 41 123 137 107 108 53 92 125 0.937 25.78 274.3 74 97 88 98 194 31.0 2.317 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0967 1472.0 >7 scans 42% TIC 2.2% 0.00962% 3932 999.0 86 19715 0.0291% 394492 379302 1192520 0-1 0.927 27.12 297.1 76 96 90 96 355 14.6 2.898 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1935 1475.3 7.9 scans 78% 57 m/z (170) 0.42% 0.106% 3948 1.1 196 105148 0.152% 4375080 4064084 6228972 2-0 20: 57 71 43 85 41 55 56 70 99 198 84 42 98 113 112 69 127 141 83 126 0.994 27.21 -0.5 96 97 98 98 198 23.1 1.377 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.4042 1520.7 9.0 scans 14% 80 m/z 3.3% 0.00473% 4153 1.2 43 13019 194129 178677 1-2 9: 80 171 165 53 51 172 115 78 63 0.635 28.39 327.3 65 90 65 89 171 22.8 27.473 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6752 1530.9 8.2 scans 58% 43 m/z (163) 0.34% 0.130% 4199 1.0 203 126681 0.141% 5361948 4514677 5778191 0-9 17: 43 69 41 136 107 151 67 125 93 53 109 68 39 121 81 108 161 0.848 28.67 333.5 73 98 89 98 194 13.6 0.445 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1038 1547.0 7.5 scans 72% 71 m/z (166) 0.22% 0.258% 4272 1.3 312 192356 0.343% 10576614 9960285 14056168 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 183 97 69 42 127 163 155 0.913 29.09 343.3 70 96 87 96 220 32.6 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1050 1547.1 7.5 scans 56% TIC 0.22% 0.161% 4272 1.3 274 192515 0.211% 6611921 6325208 8646797 1-0 0.705 29.10 343.2 68 94 78 91 227 6.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5158 1562.5 7.5 scans 84% 73 m/z 0.070% 0.595% 4341 1.0 489 629655 24408348 23205161 2-2 20: 73 281 147 327 282 415 341 283 503 221 328 148 74 399 329 416 207 325 504 342 0.977 29.61 -150.6 80 99 97 99 503 69.8 2.041 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1034 Contamination 29.52min 29.5170 1562.6 8.3 scans 77% TIC 0.069% 0.616% 4342 1.2 471 635703 25282290 23616153 2-1 0.903 29.52 352.5 80 99 90 99 503 69.6 2.179 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7732 1572.2 7.8 scans 75% 123 m/z (57) 0.063% 0.322% 4385 1.1 341 693534 13196663 12063969 1-4 19: 123 43 135 124 107 95 91 79 109 77 39 81 53 67 93 97 125 105 165 0.987 29.77 358.2 77 98 98 99 193 27.6 0.652 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9485 1578.8 9.0 scans 75% 71 m/z 0.19% 0.275% 4415 0.7 302 225697 11287953 10494287 1-2 20: 71 85 57 43 99 113 41 69 127 84 55 155 70 56 83 126 111 112 42 86 0.922 29.94 362.4 77 99 94 98 254 8.1 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1717 1587.2 8.0 scans 63% 57 m/z (163) 0.65% 0.0931% 4453 1.4 183 67656 0.134% 3816735 3816735 5491331 0-0 19: 57 71 85 43 41 99 55 56 84 155 70 69 98 183 141 126 198 96 169 0.925 30.38 -7.7 80 82 94 84 212 0.0 0.000 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5041 1600.2 8.1 scans 73% 191 m/z 0.063% 0.296% 4509 0.9 338 697580 12137196 11286136 2-3 19: 191 206 192 57 163 74 175 115 91 107 207 73 77 88 147 128 133 161 105 0.948 30.50 375.4 80 99 93 99 206 92.2 7.451 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8276 1613.8 8.2 scans 46% 124 m/z (71) 0.96% 0.0472% 4564 1.0 126 45627 1935396 1724300 3-8 7: 124 137 180 125 138 54 168 0.972 30.81 384.4 74 97 92 97 180 33.0 6.893 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8872 1616.3 >9 scans 47% TIC 1.1% 0.0237% 4574 1.2 127 38283 972951 927499 0-1 0.805 30.88 0.3 89 91 74 92 204 20.8 2.674 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2195 1630.3 9.8 scans 73% 111 m/z 0.088% 0.564% 4630 0.7 420 497796 23118960 21388932 2-2 20: 111 109 137 67 180 110 43 124 95 152 79 77 81 39 41 112 93 53 65 69 0.869 31.18 395.3 76 97 84 98 180 97.0 5.334 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5188 1642.9 9.4 scans 75% 43 m/z (185) 0.36% 0.142% 4681 1.0 210 120418 5833062 5503418 1-1 20: 43 98 111 166 55 85 127 151 71 57 82 41 83 169 67 107 123 39 69 99 0.978 31.52 0.2 96 98 98 99 166 39.8 3.583 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6310 1647.6 7.8 scans 36% TIC 1.0% 0.0264% 4700 1.3 124 43296 1085602 1042263 1-1 0.643 31.63 -0.1 61 78 59 72 429 9.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9202 1659.8 9.1 scans 38% TIC 1.2% 0.0338% 4749 0.5 117 34320 1386693 1184123 3-1 0.649 31.92 0.1 77 84 56 80 219 2.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0661 1665.9 6.8 scans 16% 221 m/z 1.9% 0.0137% 4773 1.0 77 22608 563178 514141 4-1 9: 221 147 207 295 341 223 355 267 343 0.724 32.08 -0.5 90 95 77 93 355 13.9 3.255 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2378 1673.1 8.5 scans 63% 57 m/z 0.51% 0.0890% 4802 1.0 191 85778 3649218 3574225 1-0 19: 57 71 43 85 41 99 183 56 55 113 70 42 69 83 105 182 100 184 77 0.906 32.24 -0.0 90 93 91 92 226 9.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4397 1681.6 10.6 scans 56% 57 m/z (211) 0.77% 0.0948% 4837 0.8 161 57143 3887330 3530463 1-1 19: 57 85 71 56 196 43 197 41 55 113 198 127 86 91 83 141 70 109 150 0.891 32.44 -0.1 82 91 88 91 226 5.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6771 1691.6 8.9 scans 69% 205 m/z (167) 1.6% 0.130% 4877 1.1 203 26737 5358635 4881729 2-6 16: 205 91 119 105 93 159 79 162 107 187 131 146 133 106 121 145 0.944 32.67 0.1 93 96 92 97 220 12.5 0.376 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8789 1700.0 >8 scans 45% TIC 1.5% 0.0315% 4911 0.0 139 29297 0.114% 1292670 1218945 4671729 1-0 0.857 32.87 0.5 75 81 80 83 186 3.9 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9321 1702.3 7.9 scans 55% 71 m/z 0.13% 0.116% 4920 1.0 211 326987 4765990 4185205 5-6 14: 71 43 243 159 111 56 155 72 173 143 98 89 73 244 0.862 32.93 -0.0 96 98 93 97 243 34.9 2.743 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0891 1708.9 8.4 scans 38% TIC 2.8% 0.0220% 4947 1.2 114 15561 0.0268% 902594 766269 1098266 1-4 0.772 33.09 0.2 84 93 83 91 224 2.5 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3081 1718.1 7.5 scans 75% 57 m/z 0.24% 0.161% 4984 0.9 261 180036 6621872 6029091 4-8 19: 57 71 43 85 41 55 99 56 70 69 113 84 226 42 98 83 112 72 58 0.962 33.37 -2.7 97 98 94 97 226 29.6 1.291 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8335 1727.4 8.1 scans 18% 217 m/z 1.1% 0.0149% 5073 0.9 75 39573 612251 579748 2-3 11: 217 232 218 233 157 189 173 87 142 158 101 0.787 33.83 452.7 69 92 58 93 232 33.7 20.259 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8925 1728.2 7.5 scans 48% 71 m/z (101) 1.3% 0.0408% 5083 0.9 125 33892 1672406 1500564 9-1 16: 71 57 43 70 85 197 56 99 113 196 168 225 127 141 84 42 0.933 33.90 -0.1 93 98 96 98 197 23.5 3.553 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2704 1733.6 8.1 scans 38% 57 m/z (173) 1.4% 0.0294% 5147 1.0 103 30067 1208389 1143944 0-1 19: 57 71 85 43 211 98 210 41 182 55 113 220 141 69 183 155 127 70 162 0.920 34.27 0.0 91 97 91 96 211 20.2 3.829 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3831 1735.2 8.7 scans 96% 73 m/z 0.014% 4.28% 5166 0.7 1230 3135291 175397648 165384979 2-2 20: 73 221 147 281 357 222 415 327 267 148 403 385 325 191 131 328 45 205 59 265 0.998 34.39 452.2 81 100 99 100 415 140.2 1.300 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7710 1740.8 11.8 scans 80% 91 m/z 0.060% 0.757% 5232 0.4 445 734960 31050492 29510716 2-2 20: 91 155 90 65 184 199 89 92 44 120 137 63 106 39 77 64 156 134 109 78 0.971 34.79 451.8 80 99 96 99 199 126.1 8.024 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9073 1742.7 8.2 scans 30% 68 m/z (57) 1.3% 0.0531% 5255 1.0 131 32696 2178555 2015297 1-3 2: 68 97 0.920 34.90 0.0 91 97 92 98 224 17.9 1.871 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3459 1749.0 8.2 scans 64% 43 m/z (182) 0.58% 0.152% 5329 0.9 227 75313 6251653 5549753 5-1 20: 43 69 55 56 41 81 70 126 95 111 83 82 67 137 96 109 97 112 42 98 0.966 35.35 451.6 74 95 96 99 196 16.9 0.556 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1984 1775.5 8.2 scans 60% 209 m/z 0.15% 0.209% 5643 1.0 280 282443 8568258 7892242 2-2 20: 209 224 181 165 210 167 105 178 166 104 179 103 225 194 77 152 91 119 193 182 0.916 37.20 449.2 79 99 90 99 224 90.8 10.531 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1016 Octadecane 37.2993 1777.0 9.3 scans 58% 71 m/z (91) 0.60% 0.141% 5660 1.3 202 73050 0.197% 5792174 5171448 8073076 1-5 20: 71 85 57 43 99 127 113 69 55 84 41 70 169 155 126 111 56 141 83 42 0.943 38.91 -23.0 80 86 94 86 254 4.8 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0520 1787.7 8.3 scans 68% 57 m/z (210) 0.42% 0.138% 5788 1.1 216 104604 5658548 5196805 2-2 20: 57 71 85 43 56 41 225 99 55 113 224 69 127 70 141 83 98 155 42 97 0.973 38.06 448.0 77 99 98 99 225 39.9 3.413 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5615 1795.0 9.0 scans 93% 73 m/z 0.022% 2.35% 5874 1.1 887 1991842 96577588 89880221 2-3 20: 73 147 221 429 281 430 431 356 74 401 357 148 282 295 267 223 75 283 149 432 0.995 38.59 446.9 80 100 99 100 429 235.2 7.041 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N406_R~1-N1108 ?? Solavetivone 38.8348 1798.9 10.0 scans 26% 79 m/z (57) 4.8% 0.0553% 5920 0.9 126 9106 2267416 2053620 2-1 20: 79 203 133 147 99 175 56 107 68 95 105 109 176 168 254 119 135 161 67 140 0.827 38.84 446.9 64 91 77 91 272 2.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.9245 1925.8 >22 scans 96% 68 m/z 0.016% 16.1% 6105 0.1 1658 2744205 16.6% 661968430 661968430 680269333 0-0 20: 68 95 123 82 81 69 55 43 41 67 57 83 97 109 71 124 96 111 79 110 0.999 39.94 556.7 81 100 100 100 278 106.0 0.409 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9664 1931.0 >5 scans 62% 58 m/z (161) 0.29% 0.158% 6112 1.6 294 149321 6486600 5986429 0-10 14: 58 43 59 71 109 55 110 95 124 250 165 56 125 113 0.982 39.88 562.7 73 95 95 96 250 30.3 1.058 0.083 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3378 1977.0 7.6 scans 38% 149 m/z (355) 0.21% 0.0601% 6175 1.0 150 206088 2463633 2273842 2-5 9: 149 150 223 104 76 167 132 206 50 0.938 40.31 602.1 74 97 78 97 223 33.9 5.120 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N406_R~1-N1110 Phytol 40.4051 1985.4 7.8 scans 87% 81 m/z (181) 0.13% 0.887% 6186 1.2 550 336860 36358524 32619501 2-4 20: 81 82 95 68 123 57 43 79 69 67 55 41 83 96 71 124 109 97 111 53 0.992 40.66 -31.8 92 97 98 97 278 58.6 1.133 -0.257 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 40.5999 2009.5 6.9 scans 8.3% 221 m/z 5.8% 0.00471% 6219 1.2 47 7497 193039 179245 1-2 9: 221 73 147 369 207 222 295 296 282 0.627 44.32 562.2 64 95 72 91 369 8.7 3.460 -3.720 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1254 Phytol 40.8596 2041.7 7.8 scans 85% 82 m/z 0.23% 0.403% 6263 1.0 405 185735 16545874 15785158 1-3 20: 82 81 95 68 123 57 43 79 69 55 71 83 67 96 97 109 124 278 111 53 0.973 40.87 -1.0 99 99 97 99 278 51.0 1.583 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BQLD_R~1-N1056 ? Homosalate 41.0137 2060.8 >10 scans 60% TIC 0.58% 0.0836% 6289 1.0 201 75488 3427457 3261841 1-0 0.924 41.00 675.0 79 99 97 100 262 24.3 1.455 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N407_R~1-N1144 Sclareoloxide 41.1200 2074.0 9.0 scans 87% 109 m/z 0.13% 1.06% 6307 0.9 600 323555 43691722 41317765 1-2 20: 109 81 191 95 262 43 123 177 69 55 229 93 79 137 67 91 135 136 124 122 0.965 41.13 686.2 80 99 96 99 262 114.6 3.644 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2498 2090.1 8.5 scans 60% 79 m/z (191) 1.0% 0.105% 6329 1.3 190 43018 4333720 4033990 1-2 16: 79 67 93 80 95 108 91 41 81 77 121 94 107 87 59 171 0.956 41.26 -0.9 91 95 93 97 264 11.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5161 2120.9 12.6 scans 90% 57 m/z 0.069% 2.33% 6374 0.3 769 640701 95674165 91796293 1-1 20: 57 175 177 220 55 41 91 261 191 203 192 161 77 109 105 163 135 206 233 115 0.974 41.49 -75.7 86 100 96 99 276 50.6 0.433 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6459 2128.1 8.8 scans 36% 69 m/z (43) 0.91% 0.0605% 6397 0.6 133 48348 2481552 2224409 2-2 17: 69 93 81 133 79 95 120 107 67 68 53 77 121 94 162 148 134 0.925 41.75 730.6 62 88 88 87 272 2.7 0.000 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0049 2148.3 8.2 scans 84% 74 m/z 0.053% 0.796% 6457 0.9 549 819410 32637339 29980294 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 59 129 83 239 97 88 101 185 171 0.950 42.01 746.3 80 99 96 99 272 14.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1849 2158.4 9.8 scans 43% TIC 0.50% 0.248% 6488 0.5 267 87190 10177441 9303140 2-2 0.530 42.05 7.8 78 82 54 79 272 4.5 0.000 0.140 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3296 2166.5 7.9 scans 73% 73 m/z 0.21% 0.184% 6512 1.1 264 204328 7579064 7285039 1-3 20: 73 147 281 221 355 207 282 429 341 503 148 74 222 283 356 430 415 295 504 461 0.943 42.37 757.5 77 96 94 100 503 36.0 1.854 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3650 2168.5 9.5 scans 18% 162 m/z (73) 5.9% 0.0276% 6518 0.9 92 7456 1131817 1019518 0-1 10: 162 107 93 105 230 175 106 257 77 119 0.757 42.40 -1.9 81 93 73 90 272 11.2 1.457 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 42.6259 2183.2 11.2 scans 33% 137 m/z (149) 1.6% 0.0696% 6563 1.5 126 26236 2854786 2616190 3-2 16: 137 136 272 81 94 225 124 123 134 257 138 216 148 201 258 161 0.553 43.15 -29.6 70 78 49 76 272 21.4 2.888 -0.528 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 42.6418 2184.1 12.9 scans 31% 91 m/z (149) 2.4% 0.0726% 6566 0.9 127 18042 2978087 2756924 3-3 15: 91 105 145 79 117 120 133 134 130 119 106 143 147 171 92 0.514 42.99 -19.5 76 88 48 82 272 19.6 0.000 -0.348 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1248 ? Diterpene 42.9min RI2199 42.8839 2197.6 10.2 scans 8.1% 148 m/z (60) 9.5% 0.00781% 6606 0.9 46 4632 320240 281963 7-0 4: 148 243 133 272 0.516 42.90 -1.1 78 92 58 89 272 5.8 1.599 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9901 2203.6 7.7 scans 43% 82 m/z 0.27% 0.0713% 6624 1.2 173 163499 2924665 2650226 2-1 13: 82 81 95 109 292 94 135 53 96 190 137 119 80 0.688 43.03 781.5 62 91 76 88 292 21.7 1.570 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.2983 2220.9 10.1 scans 29% 129 m/z (235) 5.5% 0.0290% 6676 1.3 93 8012 1188727 1155417 1-0 19: 129 128 91 142 156 117 107 77 145 105 279 153 131 119 132 79 106 133 143 0.601 43.31 -0.5 86 94 64 91 278 22.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1244 ?? Diterpene 43.4min RI2229 43.4169 2227.6 13.8 scans 18% 191 m/z (190) 5.2% 0.0185% 6697 1.2 67 8502 761689 739643 0-1 15: 191 239 119 121 272 148 136 109 177 135 133 176 155 235 187 0.767 43.44 -1.1 69 77 49 82 272 4.6 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5273 2233.8 8.7 scans 64% 79 m/z (157) 2.0% 0.0977% 6715 1.2 176 21160 4005972 3540411 1-4 20: 79 81 93 95 70 55 91 105 41 135 109 69 119 107 134 216 201 121 202 272 0.945 43.55 -1.4 94 98 92 97 272 19.7 1.257 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0474 2263.1 >9 scans 6.1% 192 m/z (97) 13% 0.00223% 6802 0.7 27 3297 91616 83568 3-0 4: 192 191 109 93 0.500 44.05 -0.4 72 86 42 81 272 4.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1238 Trachylobane 44.1371 2268.3 8.2 scans 74% 79 m/z (73) 1.3% 0.138% 6819 1.1 220 33416 5684539 5161201 2-2 20: 79 81 93 95 91 135 119 109 257 107 121 105 69 41 216 77 55 67 133 272 0.975 44.15 -1.0 98 100 98 100 272 25.7 1.369 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N419_R~1-N1158 ? Manool oxide 44.2776 2276.4 8.9 scans 86% 257 m/z 0.33% 0.402% 6842 0.9 376 130419 16497443 15579571 2-2 20: 257 81 192 95 177 275 137 67 55 43 69 109 123 191 41 107 79 121 93 82 0.961 43.83 838.8 79 99 96 99 275 91.7 5.952 0.451 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1236 ? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5368 2291.3 8.2 scans 9.5% 191 m/z (149) 7.9% 0.00326% 6886 1.3 34 5563 133944 118138 2-1 3: 191 135 192 0.675 44.55 -0.9 78 86 44 83 272 4.9 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1234 Thunbergol 45.2257 2330.9 11.9 scans 95% 137 m/z 0.037% 5.84% 7003 0.4 1234 1179924 239726207 227396127 3-7 20: 137 81 95 93 69 257 107 55 123 109 121 71 41 43 91 105 80 136 94 119 0.995 44.90 18.7 85 84 89 85 272 88.7 0.516 0.325 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5522 2349.7 9.7 scans 14% 175 m/z (177) 16% 0.00475% 7058 1.7 43 2685 194878 169696 2-0 10: 175 121 108 124 235 137 161 206 151 77 0.601 45.56 -0.7 67 80 43 76 290 4.6 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BWA_RE~1-N1006 ? Contamination 45.78min 45.7895 2363.4 8.1 scans 2.3% 245 m/z 4.4% 0.00305% 7098 1.3 32 9935 125358 107883 3-5 13: 245 73 355 147 137 281 246 263 357 221 267 207 138 0.067 45.78 0.8 78 89 14 85 503 6.7 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 45.8597 2367.4 >12 scans 53% TIC 0.83% 0.0420% 7110 0.8 154 52779 0.0948% 1722485 1653075 3884912 0-1 0.865 45.98 887.7 75 96 79 95 204 63.7 17.156 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1228 ?? C18:2-butanoate 46.0020 2375.6 9.0 scans 4.6% 170 m/z (67) 10% 0.00392% 7134 1.2 36 4359 160981 151719 4-2 4: 170 169 266 156 0.395 46.00 -0.0 68 78 19 72 294 6.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1230 ?? C18:3-butanoate 46.0935 2380.9 8.5 scans 79% 79 m/z (159) 0.47% 0.263% 7150 1.0 297 93999 10806026 9945187 1-4 20: 79 245 67 95 93 81 80 108 55 41 91 121 107 43 137 94 69 77 135 149 0.970 46.13 -2.3 69 63 85 95 292 18.1 0.371 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.2966 2392.5 9.0 scans 54% 133 m/z (257) 1.5% 0.0577% 7184 1.1 127 28747 2368010 1965420 3-0 15: 133 177 107 93 109 137 149 193 77 134 163 135 150 190 176 0.914 46.86 -32.4 66 73 71 76 290 2.2 0.000 -0.562 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4158 2399.4 >15 scans 43% TIC 2.1% 0.0366% 7204 1.0 102 20611 0.0429% 1503548 1374509 1758045 0-3 0.743 46.49 -4.6 92 93 63 92 290 13.7 1.803 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.6153 2410.9 7.8 scans 26% 71 m/z (56) 7.2% 0.00721% 7238 1.0 53 6065 295582 273063 1-0 20: 71 85 57 70 113 169 43 112 99 84 83 69 155 55 281 97 98 42 126 141 0.776 46.28 19.2 67 81 72 78 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7558 2419.0 7.9 scans 45% 74 m/z (181) 1.5% 0.0253% 7262 1.0 95 28767 1039005 945684 3-4 12: 74 87 75 143 255 267 298 88 59 129 227 241 0.880 46.76 923.9 74 98 84 96 298 17.9 3.545 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2647 2448.3 8.8 scans 35% 148 m/z (98) 5.7% 0.0165% 7348 0.8 71 7643 679503 581193 0-7 7: 148 119 191 134 255 178 92 0.743 47.36 -5.2 84 95 76 92 272 7.1 0.000 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4943 2461.5 8.2 scans 17% 138 m/z (73) 10% 0.00426% 7387 1.3 39 4315 174585 160149 0-4 5: 138 121 120 168 306 0.593 47.50 948.7 61 96 66 92 168 6.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9040 2485.1 8.8 scans 47% 134 m/z (82) 4.3% 0.0186% 7457 1.3 77 10282 762442 671629 2-4 12: 134 84 178 95 107 133 105 77 151 122 120 106 0.793 47.95 -2.5 90 96 76 93 272 7.8 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN N419_R~1-N1164 ? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8492 2539.5 12.3 scans 69% TIC 2.3% 0.0946% 7616 1.6 151 18921 3877866 3522801 5-1 0.784 48.96 988.7 74 96 76 94 290 12.3 0.670 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N44_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9194 2543.5 8.3 scans 25% 221 m/z 4.0% 0.00705% 7629 1.1 51 10950 0.00847% 289186 259789 347101 0-5 10: 221 429 147 295 222 357 148 341 281 283 0.722 48.95 993.1 73 96 65 94 429 14.8 8.542 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1066 771.2 5.1 scans 74% 77 m/z (55) 0.061% 0.134% 37 3.7 306 946428 0.136% 9283966 8541206 9361403 1-5 15: 77 45 78 79 62 59 76 75 63 47 61 46 92 64 80 0.989 4.37 17.2 99 100 100 100 77 260.6 72.670 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5169 833.9 17.1 scans 65% 207 m/z 0.57% 0.0376% 445 2.6 109 101184 2588707 2427037 1-1 14: 207 208 209 191 96 133 192 193 135 103 176 178 179 59 0.820 6.53 -142.9 80 100 81 99 207 85.2 61.164 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6315 862.9 8.6 scans 93% 69 m/z 0.087% 0.846% 634 1.5 630 665275 58263083 50170941 2-5 20: 69 55 41 83 39 42 57 98 70 56 43 97 80 53 54 79 40 68 51 38 0.990 7.71 7.6 100 100 100 100 98 121.5 3.718 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 9.3370 907.3 10.2 scans 8.7% 57 m/z (68) 8.5% 0.00176% 923 2.1 29 6876 121142 121142 0-0 6: 57 96 41 87 78 53 0.342 6.03 -54.3 61 98 71 94 102 4.9 0.000 3.304 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKSTART-N1004 ?? Contamination 12.42min 11.7065 969.0 >10 scans 3.7% 56 m/z 44% 0.000151% 1325 1.0 13 1314 10388 10166 0-1 2: 56 57 0.266 12.42 19.3 61 91 70 89 281 0.0 0.000 -0.712 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2042 982.0 9.4 scans 48% 281 m/z (134) 0.48% 0.0731% 1409 2.1 170 120508 5036184 4368311 3-3 20: 281 282 41 108 55 69 283 111 39 193 249 133 58 67 93 207 250 42 68 194 0.549 12.22 35.7 90 96 61 100 281 93.0 29.973 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1022 ? Octanal 12.9132 1000.5 8.4 scans 50% 57 m/z (71) 4.6% 0.0201% 1529 1.7 99 12660 1390128 1272491 2-4 12: 57 56 84 41 44 55 69 82 67 68 85 100 0.805 12.96 -174.3 72 97 95 97 110 10.1 1.036 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2196 1008.8 10.4 scans 88% 81 m/z 0.094% 0.289% 1581 2.0 338 621698 19949964 17743819 2-3 20: 81 110 53 39 41 79 67 68 82 65 77 51 55 50 95 66 40 54 52 109 0.959 13.22 45.2 93 100 98 100 110 91.5 7.335 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1016 Limonene 13.8908 1027.0 8.5 scans 53% TIC 1.2% 0.0334% 1695 1.1 146 46425 2299522 2067826 2-1 0.707 13.89 51.7 84 98 84 97 136 28.1 3.673 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0714 1031.8 10.2 scans 84% 79 m/z 0.19% 0.232% 1725 1.7 314 299562 15984466 14414088 3-3 20: 79 108 107 77 51 91 78 50 89 90 65 63 109 39 52 53 105 74 62 38 0.975 14.11 52.8 92 100 98 100 108 139.9 19.798 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4345 1041.7 9.9 scans 82% 91 m/z 0.12% 0.158% 1787 1.5 258 451885 10878737 9647911 2-4 19: 91 92 120 65 63 39 89 51 50 121 62 90 64 52 93 74 38 61 66 0.977 14.44 56.9 91 100 98 100 120 83.3 10.451 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1641 1061.4 >12 scans 86% 105 m/z 0.15% 0.194% 1910 1.1 296 379409 13392993 12246345 2-1 20: 105 77 123 51 46 94 109 50 106 66 124 78 74 76 79 75 52 39 95 38 0.980 15.17 64.0 83 92 91 96 123 98.8 11.171 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN 98-86-2 ? Acetophenone 15.2574 1064.0 9.9 scans 81% TIC 0.096% 0.232% 1926 1.2 354 608190 16033061 14321611 1-3 0.989 15.29 -181.7 79 98 97 99 120 122.9 12.052 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4233 1068.5 8.9 scans 80% 95 m/z 0.093% 0.354% 1954 1.3 418 625263 24387387 22201357 1-6 19: 95 81 124 43 79 53 109 39 41 82 65 96 55 66 67 51 80 50 52 0.956 15.43 66.8 87 98 93 100 124 120.8 8.367 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1002 Undecane 16.6021 1100.6 9.0 scans 43% 57 m/z 1.6% 0.0192% 2154 1.0 105 34885 1326044 1278123 1-0 14: 57 71 43 56 41 85 111 156 97 84 93 112 83 99 0.678 16.59 0.6 86 92 75 91 156 13.3 1.593 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7728 1107.8 8.7 scans 87% TIC 0.29% 0.206% 2183 1.2 337 198821 0.275% 14197099 12812065 18929308 0-4 0.989 16.82 85.4 78 94 96 94 124 5.1 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9587 1115.7 8.6 scans 81% 71 m/z 0.14% 0.252% 2214 1.2 365 406842 17352999 15750081 2-6 19: 71 95 43 110 58 128 41 85 55 84 57 69 72 70 68 56 42 67 59 0.938 16.97 91.0 81 100 97 99 128 89.7 6.019 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0402 1119.1 9.5 scans 76% 91 m/z 0.10% 0.205% 2228 1.5 310 539479 14179324 12685518 8-3 19: 91 92 122 65 77 93 63 51 89 78 103 104 50 123 64 62 74 52 76 0.964 17.05 93.1 82 100 98 100 122 103.5 11.183 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0603 1162.2 8.0 scans 78% 73 m/z 0.25% 0.112% 2401 1.5 249 231360 7743567 7008537 5-3 19: 73 355 267 356 357 268 269 74 251 358 75 191 339 323 154 179 59 253 237 0.942 18.13 -169.5 80 100 91 99 355 103.8 17.405 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1018 ?? Pyranone 18.1252 1165.0 8.9 scans 39% 144 m/z (156) 1.5% 0.0243% 2412 1.2 109 37753 1677638 1517086 3-3 6: 144 43 101 44 72 145 0.908 18.22 121.5 67 90 85 93 144 47.9 19.137 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN M4942-N1002 ?? Pyranone 18.1252 1165.0 8.9 scans 32% 144 m/z 1.4% 0.0176% 2412 1.2 101 39819 1214272 1098065 3-3 6: 144 43 101 44 72 145 0.811 20.04 -225.5 69 92 75 91 144 46.7 21.528 -1.917 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7002 1189.3 8.3 scans 67% 98 m/z 1.3% 0.0471% 2509 1.2 171 44588 3245861 2941450 2-1 20: 98 55 69 111 82 43 41 125 70 67 97 83 39 95 107 71 100 53 84 80 0.920 18.71 138.5 77 98 94 99 153 7.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1128 1206.7 8.1 scans 61% 82 m/z 0.57% 0.0327% 2579 1.3 149 101044 2253964 2044130 2-1 19: 82 81 43 39 54 53 41 83 55 97 95 42 69 79 57 38 111 40 63 0.892 19.12 149.6 78 100 98 100 97 23.6 2.492 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2397 1212.1 10.0 scans 15% 119 m/z (57) 3.7% 0.00850% 2601 1.3 63 15778 585609 538201 3-1 8: 119 91 134 65 120 89 92 63 0.623 13.76 12.6 74 76 62 83 134 21.7 12.009 5.483 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7982 1235.7 8.8 scans 80% 57 m/z 0.15% 0.219% 2695 1.3 337 375705 15074815 13521419 8-4 20: 57 45 41 75 87 56 89 72 101 59 100 43 85 60 71 73 44 58 55 61 0.977 19.81 168.2 78 97 94 100 144 6.9 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3141 1257.5 9.0 scans 41% 57 m/z (95) 2.2% 0.0161% 2783 1.2 89 25617 1108845 1028237 5-2 3: 57 71 85 0.946 20.32 -0.2 86 91 89 94 170 10.3 1.340 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5225 1263.8 8.2 scans 86% 57 m/z (104) 0.31% 0.260% 2818 1.1 377 184968 17950754 16593252 5-2 19: 57 41 43 55 70 82 71 68 44 83 56 81 67 69 112 96 42 84 39 0.969 16.82 -27.6 72 75 87 78 124 4.3 0.000 3.708 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1034 ? Decanal 20.5225 1263.8 8.2 scans 81% 57 m/z 0.31% 0.230% 2818 1.1 366 183483 15831915 14634647 5-2 19: 57 41 43 55 70 82 71 68 44 83 56 81 67 69 112 96 42 84 39 0.951 20.57 -143.2 79 99 99 99 138 19.0 0.270 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9440 1276.4 9.8 scans 86% 94 m/z (137) 0.054% 0.458% 2889 1.2 445 1065902 31535633 28542468 3-3 18: 94 138 77 66 95 51 65 45 139 50 78 63 40 38 76 74 64 62 0.995 20.98 191.4 77 97 96 100 152 0.0 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1365 1282.2 7.7 scans 8.8% 281 m/z 2.2% 0.00700% 2922 1.6 59 26468 482210 422533 2-5 15: 281 282 283 193 194 208 207 191 265 251 249 179 267 284 266 0.817 12.25 129.1 73 95 65 94 281 43.6 53.688 8.885 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4399 1291.3 6.8 scans 5.6% 147 m/z 5.1% 0.00377% 2973 1.1 52 11371 259628 231717 2-2 10: 147 281 73 369 282 249 283 265 207 370 0.824 21.56 -147.4 74 97 75 96 369 13.7 6.963 -0.118 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN M4942-N1006 ?? 2-Acetylpyrrole 21.7416 1300.4 6.8 scans 9.7% TIC 4.2% 0.00106% 3025 0.8 46 13836 73417 65561 0-1 0.315 16.11 30.2 63 72 42 79 109 19.5 18.316 5.633 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0049 1308.3 7.9 scans 11% 175 m/z 1.1% 0.00925% 3069 1.0 74 52342 637300 605253 2-4 7: 175 190 176 147 116 191 145 0.582 22.01 207.9 73 97 60 96 190 25.2 11.570 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9027 1335.2 8.8 scans 58% 69 m/z (83) 0.10% 0.311% 3221 1.0 392 540066 21455126 19545840 4-4 16: 69 43 109 86 41 71 110 128 127 67 39 95 58 53 59 44 0.845 22.91 221.6 74 98 83 97 127 56.9 2.106 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0811 1371.3 7.4 scans 59% 73 m/z 0.082% 0.333% 3421 1.0 461 710104 22976324 21166133 2-4 19: 73 341 429 342 325 147 343 430 431 74 326 207 327 45 75 432 148 251 191 0.715 24.17 -152.5 79 99 95 99 429 131.9 8.193 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1006 ? Tridecane 24.5397 1386.6 7.7 scans 67% 71 m/z (122) 0.91% 0.0497% 3499 1.5 166 63740 0.0534% 3423689 3309630 3675727 1-0 15: 71 57 85 43 99 127 84 113 70 126 56 86 72 112 170 0.976 23.86 22.6 76 79 91 82 184 2.0 0.000 0.678 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6749 1391.2 8.9 scans 55% 43 m/z (81) 0.92% 0.0464% 3521 1.1 145 63238 0.0611% 3200285 2844047 4205748 0-3 18: 43 83 142 82 69 113 41 55 111 56 85 70 128 93 100 67 112 108 0.973 24.70 251.6 66 86 84 92 170 5.7 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1921 1408.4 7.6 scans 54% 43 m/z 0.25% 0.0468% 3609 1.2 168 225630 0.0496% 3222541 2931601 3414159 6-0 12: 43 103 145 116 115 86 73 74 61 44 158 146 0.931 25.24 -151.5 78 99 92 99 145 61.0 13.196 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.3945 1415.2 10.2 scans 87% 84 m/z 0.018% 1.48% 3643 1.1 809 3159470 101886018 90895306 2-4 20: 84 133 162 161 42 119 92 118 82 130 65 134 78 51 117 39 163 55 77 120 0.956 25.89 258.2 77 96 90 96 162 210.2 6.750 -0.497 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1080 ?? Solanone 25.7776 1428.0 7.3 scans 31% 93 m/z (85) 3.3% 0.0130% 3708 1.2 90 17372 896865 862654 1-0 18: 93 121 71 43 70 136 57 156 151 155 79 154 123 126 94 194 108 125 0.888 25.78 272.7 63 89 79 88 194 10.9 1.466 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0923 1471.9 6.6 scans 18% 73 m/z 0.96% 0.0244% 3931 1.0 133 60602 1686259 1543522 2-2 19: 73 221 147 281 222 267 355 148 223 282 115 74 149 443 268 356 283 444 131 0.773 27.12 297.0 75 98 82 97 355 24.8 3.450 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1696 1474.5 7.8 scans 68% 57 m/z (163) 0.32% 0.105% 3944 1.2 251 182821 0.149% 7244207 6704257 10256243 1-0 19: 57 71 43 85 41 56 55 70 198 98 113 42 84 112 99 141 127 39 126 0.973 27.21 -1.3 95 96 97 98 198 26.0 1.073 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 27.9648 1504.2 8.7 scans 91% 161 m/z 0.083% 1.35% 4079 0.8 866 698051 93142795 87561877 2-2 20: 161 119 91 105 204 69 79 189 120 148 41 81 77 133 92 107 109 122 123 121 0.994 45.98 24.5 78 78 81 80 204 164.5 3.605 -18.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1032 ?? Myosmine 28.0250 1506.5 16.9 scans 34% 146 m/z (161 147) 1.0% 0.0623% 4089 0.8 132 55938 4289710 4105982 1-3 3: 146 118 145 0.918 27.93 319.8 66 89 83 94 146 55.6 17.697 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3798 1519.8 8.6 scans 51% 80 m/z 0.37% 0.0487% 4149 1.0 167 157597 3356149 3163101 2-2 12: 80 171 104 53 78 172 170 77 51 65 63 168 0.929 28.39 326.4 75 95 87 94 171 74.3 19.743 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6650 1530.5 8.3 scans 82% 43 m/z (163) 0.061% 0.617% 4198 0.8 567 958213 42490457 37282139 8-11 19: 43 69 41 151 107 136 67 93 125 109 83 121 53 68 81 39 79 108 91 0.979 28.67 333.1 77 99 98 99 194 33.0 0.339 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0941 1546.7 7.7 scans 72% 71 m/z 0.16% 0.242% 4270 1.2 412 357259 0.333% 16697420 16002506 22921671 1-0 20: 71 57 43 85 41 177 70 55 141 113 56 99 112 220 84 97 69 183 149 135 0.938 29.09 343.0 77 98 93 98 220 51.6 1.570 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5115 1562.4 7.4 scans 67% 73 m/z 0.066% 0.492% 4341 1.0 560 876304 33872907 32308242 2-2 20: 73 281 147 327 282 415 341 503 283 221 328 399 148 416 74 504 329 342 207 417 0.976 29.61 -150.7 79 99 96 99 503 89.2 2.539 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7766 1572.3 7.9 scans 78% 123 m/z 0.021% 0.710% 4386 0.8 656 2786801 48876333 44965700 0-3 20: 123 43 135 124 107 95 91 79 109 41 77 55 39 81 97 69 53 93 67 125 0.954 29.77 358.3 78 98 94 98 193 53.3 0.660 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9418 1578.5 9.3 scans 72% 71 m/z 0.12% 0.355% 4414 0.8 416 478039 24451327 22015147 2-2 19: 71 85 57 43 99 113 41 69 84 127 70 55 155 56 83 42 169 86 58 0.941 29.94 362.1 72 94 93 93 254 10.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1679 1587.0 7.7 scans 60% 57 m/z (153) 0.39% 0.115% 4452 1.1 265 149208 0.168% 7928287 7928287 11564086 0-0 20: 57 71 85 43 41 55 99 84 70 113 56 98 127 69 155 83 183 42 86 97 0.921 30.38 -7.9 80 83 94 86 212 4.1 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5074 1600.4 8.2 scans 89% 191 m/z 0.014% 1.18% 4509 0.8 838 4096144 81324495 74450156 2-4 20: 191 206 192 57 163 74 175 91 41 115 107 73 88 147 128 105 133 117 60 119 0.994 30.50 375.6 81 100 99 100 206 223.6 7.125 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8362 1614.2 8.1 scans 34% 124 m/z (71) 0.97% 0.0344% 4565 1.0 136 60224 2370276 2167007 3-5 5: 124 137 180 138 54 0.874 30.81 384.8 68 90 82 94 180 34.1 6.244 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8870 1616.3 8.7 scans 31% 161 m/z (222) 2.0% 0.0326% 4573 0.9 132 28231 2249729 2087214 1-1 20: 161 162 147 134 164 91 71 204 105 165 195 129 118 133 189 92 77 135 163 74 0.908 30.88 0.3 79 80 66 91 204 24.0 3.300 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2465 1631.4 11.5 scans 69% 109 m/z 0.041% 1.09% 4635 0.4 687 1421880 1.17% 75514491 69378426 80535600 2-0 20: 109 137 43 67 180 110 95 124 152 79 41 77 81 39 69 93 91 53 65 123 0.892 31.18 396.4 76 97 86 98 180 154.9 5.078 0.068 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 31.3215 1634.6 >9 scans 61% TIC 0.22% 0.166% 4647 1.8 323 261917 11465610 10525982 0-3 0.797 24.54 497.3 69 94 88 95 169 43.4 1.804 6.779 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5192 1642.9 10.1 scans 69% 43 m/z (95) 0.32% 0.140% 4681 1.2 250 180040 9638633 8923154 2-1 20: 43 98 71 111 57 166 55 41 151 82 127 83 68 123 99 39 81 67 69 107 0.987 31.52 0.2 94 95 96 98 166 43.2 2.977 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7872 1654.2 8.9 scans 21% 193 m/z (43) 0.99% 0.0218% 4726 1.2 105 58692 1500549 1377006 1-4 5: 193 208 151 175 197 0.741 31.80 -0.3 69 76 55 81 208 23.9 5.190 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9195 1659.7 8.1 scans 48% 71 m/z (143) 0.98% 0.0659% 4748 0.6 175 59514 4540380 4102623 1-1 16: 71 83 82 85 55 69 99 155 70 112 125 72 126 210 141 169 0.947 31.92 0.0 81 88 90 88 219 6.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0540 1665.4 6.7 scans 29% 221 m/z 0.64% 0.0396% 4771 1.1 166 90481 2729768 2516839 2-2 18: 221 73 147 207 295 222 223 355 341 148 281 325 74 342 356 297 208 205 0.792 32.08 -1.0 94 97 87 97 355 28.1 2.848 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2341 1672.9 8.6 scans 58% 57 m/z (121) 0.33% 0.146% 4802 1.5 261 175008 10079722 9018835 2-1 19: 57 71 43 85 41 99 55 56 183 113 182 149 69 70 42 105 77 97 83 0.946 32.24 -0.2 91 96 93 97 226 10.9 0.174 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4366 1681.4 10.3 scans 52% 57 m/z (120) 0.58% 0.106% 4837 1.0 208 100439 0.112% 7352522 6291169 7709391 5-2 19: 57 85 71 43 56 197 41 55 99 113 141 70 127 187 111 86 42 123 202 0.920 32.44 -0.3 86 92 91 92 226 6.6 0.101 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6674 1691.1 9.4 scans 72% 205 m/z (163) 0.97% 0.196% 4876 1.0 306 59933 13494373 12508252 2-5 16: 205 91 119 105 93 107 79 77 162 147 131 121 106 146 145 177 0.974 32.67 -0.4 92 94 93 96 220 22.4 0.536 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8657 1699.5 8.0 scans 22% 70 m/z (149) 0.82% 0.0442% 4909 1.1 155 70640 3048951 2905907 1-2 6: 70 109 201 224 152 195 0.854 32.87 -0.0 66 74 75 78 186 2.1 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9325 1702.3 8.0 scans 49% 71 m/z 0.10% 0.109% 4920 0.9 251 534815 7530455 6652907 3-8 10: 71 43 111 159 243 72 155 143 89 73 0.855 32.93 -0.0 96 98 88 97 243 40.6 2.618 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0854 1708.7 7.4 scans 37% 83 m/z (122) 2.5% 0.0330% 4946 0.9 145 22756 2272803 2181786 0-1 20: 83 111 97 69 55 70 57 56 43 41 84 85 71 125 82 98 112 42 110 96 0.920 33.09 0.0 86 85 94 98 224 5.7 0.155 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3073 1718.0 7.5 scans 74% 57 m/z (123) 0.19% 0.184% 4984 0.9 327 295932 12677615 11844909 4-7 18: 57 71 43 85 41 55 99 56 70 113 69 42 84 226 112 98 72 58 0.975 33.37 -2.8 94 95 97 99 226 34.0 1.075 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8339 1727.4 7.9 scans 7.0% 217 m/z (131) 2.1% 0.00710% 5073 0.8 63 27860 488794 447835 2-1 4: 217 232 218 233 0.816 33.83 452.7 65 90 60 93 232 27.8 19.251 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8947 1728.3 7.5 scans 27% 71 m/z 1.1% 0.0206% 5083 0.9 141 53082 0.0225% 1418725 1358300 1548762 4-1 19: 71 57 84 43 70 85 197 41 56 99 55 113 196 127 123 198 66 86 42 0.868 33.90 -0.0 83 88 84 86 197 26.9 3.635 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2761 1733.7 7.3 scans 22% 57 m/z (105) 1.5% 0.0163% 5147 0.8 101 36871 1122510 1042153 1-1 16: 57 71 211 85 41 98 182 210 127 141 123 220 162 159 113 78 0.922 34.27 0.1 84 89 86 90 211 19.5 3.712 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3876 1735.3 17.6 scans 78% TIC 0.011% 5.70% 5167 0.7 1402 5087459 6.74% 392430340 371191071 463940125 2-0 0.883 34.39 452.3 80 99 82 99 415 184.5 1.735 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.9484 1743.3 >21 scans 88% 91 m/z 0.017% 3.29% 5262 0.1 957 3434990 227141577 213210541 1-1 20: 91 155 199 90 65 184 89 92 44 120 137 63 106 77 39 64 51 156 107 78 0.963 34.79 454.3 80 100 99 100 199 265.3 7.684 0.162 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7147 1754.3 9.0 scans 55% 123 m/z (71) 0.17% 0.180% 5391 1.1 299 342867 12391792 11557134 3-1 15: 123 193 124 125 109 105 79 77 175 131 165 195 149 107 194 0.925 35.70 451.6 73 97 87 97 224 28.3 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4774 1765.2 7.1 scans 19% 73 m/z (197) 0.68% 0.0489% 5521 1.1 177 85740 0.0563% 3367493 3212214 3875346 1-0 19: 73 221 147 295 281 222 207 341 223 296 208 282 327 370 297 355 369 249 342 0.946 36.58 448.7 75 98 93 98 369 26.5 2.245 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2047 1775.6 8.1 scans 24% 209 m/z 0.63% 0.0339% 5644 0.9 146 92775 2333807 2236232 2-1 16: 209 224 181 165 167 210 105 178 166 179 194 225 152 193 89 103 0.796 37.20 449.3 76 98 77 97 224 49.8 11.652 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0612 1787.9 8.8 scans 55% 57 m/z (207) 0.49% 0.0871% 5789 0.9 212 118047 5999920 5714237 2-1 20: 57 71 85 43 56 41 99 225 55 113 70 69 127 141 84 83 226 42 97 149 0.947 38.06 448.2 73 98 96 98 225 34.6 2.680 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5695 1795.1 23.0 scans 79% TIC 0.022% 6.91% 5875 1.3 1371 2564301 7.97% 476242942 452826283 548605756 2-0 0.882 38.59 447.0 80 99 78 99 429 429.0 9.790 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1016 Octadecane 38.8322 1798.9 11.5 scans 47% 57 m/z (239) 0.62% 0.0821% 5919 1.0 178 93422 5653748 5173302 1-3 18: 57 85 43 41 55 86 254 113 42 69 84 72 97 225 168 140 68 154 0.970 38.91 -1.1 92 96 94 95 254 16.2 0.822 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3783 1858.1 >10 scans 23% TIC 2.3% 0.00348% 6012 0.0 88 25117 0.0267% 239843 239843 1837864 0-0 0.665 36.21 7.2 64 80 67 78 240 4.3 0.000 3.167 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4497 1866.9 7.7 scans 43% 74 m/z 0.52% 0.0595% 6024 1.0 195 111849 4096841 3729891 10-2 17: 74 87 43 102 60 228 41 143 75 129 59 73 213 211 256 185 101 0.691 39.45 505.4 73 100 81 98 256 24.9 1.641 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.7750 1907.2 8.0 scans 92% 68 m/z 0.075% 1.08% 6079 0.8 818 776681 74451511 71928374 1-1 20: 68 95 82 57 69 123 55 43 81 83 67 41 71 97 96 109 124 79 56 85 0.994 39.94 538.1 79 98 99 98 278 38.7 0.224 -0.161 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8913 1921.7 7.7 scans 69% 58 m/z 0.31% 0.151% 6099 1.1 329 187242 10430604 9791282 1-3 18: 58 43 71 59 55 109 69 95 41 110 124 83 81 70 56 123 96 113 0.946 39.88 553.4 78 99 95 98 250 30.7 0.872 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3157 1974.3 8.7 scans 75% TIC 0.056% 0.199% 6171 0.8 365 1042716 13714248 12207480 5-0 0.964 40.31 599.4 79 98 96 98 223 73.4 4.032 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN N406_R~1-N1110 Phytol 40.3954 1984.2 7.4 scans 82% 81 m/z 0.13% 0.577% 6184 1.0 598 438452 39772328 33897338 11-5 20: 81 82 95 68 123 57 43 69 79 55 83 67 41 71 96 124 97 109 110 111 0.976 40.66 -33.0 93 95 95 95 278 61.0 1.041 -0.267 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.5944 2008.8 8.2 scans 38% 221 m/z (83) 1.4% 0.0295% 6218 1.1 127 39703 2037433 1897105 1-5 17: 221 73 147 295 207 222 296 74 148 283 281 355 371 370 267 429 282 0.852 44.32 561.5 72 93 80 99 369 16.8 1.754 -3.726 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5944 2008.8 8.2 scans 34% 221 m/z (43) 1.4% 0.0260% 6218 1.1 119 39245 1790510 1667189 1-5 17: 221 73 147 295 207 222 296 74 148 283 281 355 371 370 267 429 282 0.849 40.63 628.7 73 99 89 99 369 16.9 2.034 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1254 Phytol 40.8529 2040.9 7.7 scans 77% 82 m/z 0.21% 0.330% 6262 1.3 452 273468 22744892 20420609 2-4 19: 82 81 95 68 123 57 43 69 79 55 67 71 83 96 41 109 97 124 278 0.929 40.87 -1.8 96 98 93 98 278 54.7 1.465 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BQLD_R~1-N1056 ?? Homosalate 40.9905 2057.9 8.5 scans 9.8% 138 m/z 2.9% 0.00857% 6286 1.4 74 20147 590018 552754 1-2 12: 138 120 109 121 104 92 124 76 110 262 176 132 0.353 41.00 672.1 60 97 53 94 262 12.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2496 2090.1 8.1 scans 84% 79 m/z (191) 0.18% 0.387% 6329 0.9 467 323966 26705599 24854585 2-2 20: 79 67 93 95 80 91 55 108 41 81 77 94 107 87 78 59 135 105 122 66 0.995 41.26 -0.9 97 97 99 100 264 29.2 0.390 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4674 2117.1 8.5 scans 74% 57 m/z 0.20% 0.416% 6366 0.6 495 281635 28699065 26932841 2-1 20: 57 217 175 189 220 177 55 41 91 191 77 192 161 109 206 135 176 163 133 159 0.881 41.49 -79.5 85 99 88 99 276 32.1 0.421 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8394 2139.0 10.0 scans 15% 71 m/z 1.9% 0.00931% 6429 0.8 88 30139 0.0111% 641192 580072 764056 0-2 20: 71 57 43 85 125 70 99 252 169 113 141 100 56 126 127 124 58 112 40 140 0.463 41.48 20.0 62 69 48 66 268 2.2 0.000 0.356 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0407 2150.3 9.4 scans 95% 74 m/z 0.013% 3.11% 6463 0.5 1266 4479417 214359877 205012754 2-2 20: 74 87 143 43 75 55 227 270 41 69 57 129 83 239 59 185 97 101 171 199 0.997 42.01 748.3 80 100 99 100 272 29.0 0.053 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3045 2165.1 9.0 scans 80% 73 m/z 0.032% 2.20% 6508 0.9 1062 1783884 152006167 143663917 2-4 20: 73 281 147 221 355 429 503 207 341 282 430 504 222 283 415 295 431 267 327 342 0.838 42.37 756.1 73 90 70 99 503 189.4 3.181 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8559 2252.2 8.1 scans 53% 71 m/z (205) 1.4% 0.0346% 6771 1.1 140 40356 2382825 2270723 1-4 20: 71 57 85 43 127 55 99 239 41 126 238 113 169 69 84 155 267 70 97 183 0.957 43.94 -4.5 63 61 85 79 282 4.3 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1234 ?? Thunbergol 44.3666 2281.5 7.8 scans 51% 69 m/z (169) 1.4% 0.0327% 6857 1.3 134 41604 2254534 2010811 2-6 16: 69 93 81 41 107 161 95 67 79 121 109 135 136 119 53 256 0.883 44.90 -30.7 64 77 69 75 272 4.9 0.000 -0.534 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5295 2348.4 10.1 scans 20% 124 m/z (68) 16% 0.00649% 7054 1.2 57 3654 447250 445135 0-1 9: 124 235 191 207 121 107 122 151 137 0.626 45.56 -2.0 66 82 57 79 290 0.0 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7863 2363.2 8.5 scans 79% 73 m/z 0.25% 0.136% 7097 1.1 277 231387 9397021 8624595 2-3 20: 73 147 355 221 281 356 207 357 341 429 222 148 74 295 283 415 223 401 267 327 0.938 45.78 0.6 99 99 92 98 503 23.4 0.714 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1069 2381.6 8.3 scans 82% TIC 0.13% 0.468% 7152 1.2 520 433450 32242925 29665171 1-4 0.905 46.13 -1.6 96 97 90 98 292 34.9 0.450 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7627 2419.4 8.2 scans 60% 74 m/z (180) 0.88% 0.0388% 7263 1.0 146 66192 2672379 2427014 2-4 15: 74 87 75 143 43 55 255 88 83 59 199 256 298 185 129 0.948 46.76 924.3 75 98 94 98 298 25.0 2.951 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9410 2544.8 7.8 scans 66% 73 m/z (119) 1.3% 0.0219% 7632 1.2 113 41972 1508967 1425132 2-5 20: 73 147 221 355 429 281 430 356 207 222 431 295 341 357 342 369 223 148 74 267 0.856 48.95 994.4 72 97 92 99 429 26.3 5.412 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9410 2544.8 7.8 scans 61% 73 m/z 1.4% 0.0194% 7632 1.2 109 41523 1342072 1267508 2-5 20: 73 147 221 355 429 281 430 356 207 222 431 295 341 357 342 369 223 148 74 267 0.819 51.86 913.9 72 94 80 94 503 7.6 0.483 -2.917 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6265 2871.9 8.9 scans 20% 357 m/z (71) 7.8% 0.00182% 8595 1.7 33 7498 0.00186% 125606 125606 128031 0-0 5: 357 222 295 430 503 0.377 45.81 1395.4 66 95 37 91 503 6.9 4.404 8.815 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1186 771.5 5.1 scans 83% 77 m/z 0.056% 0.137% 39 3.5 285 886686 8506031 7143502 1-6 15: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 80 0.992 4.37 17.5 100 100 99 100 77 244.1 73.251 -0.252 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1629 824.7 10.7 scans 49% 57 m/z (44) 1.2% 0.0214% 386 0.4 80 41412 1328226 1106682 1-13 7: 57 102 87 39 83 42 58 0.698 6.03 -136.9 69 96 85 96 102 9.2 1.298 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5578 835.0 17.8 scans 72% 207 m/z 0.54% 0.0435% 452 2.9 104 92008 2704806 2503066 2-1 18: 207 96 208 209 191 117 210 192 161 163 82 176 73 194 193 178 133 134 0.870 6.53 -141.8 80 100 86 99 207 78.6 57.576 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6570 863.6 8.1 scans 93% 55 m/z 0.16% 0.385% 639 1.6 409 300905 23934774 21624597 1-5 20: 55 41 69 83 39 42 57 98 70 56 43 97 80 53 54 79 40 68 51 38 0.992 7.71 8.3 100 99 98 100 98 79.8 3.802 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2215 982.4 12.4 scans 26% 281 m/z 0.52% 0.0466% 1411 1.8 123 94969 2896041 2451286 6-3 19: 281 43 282 283 71 108 41 99 69 55 56 265 249 111 134 191 126 284 68 0.513 12.22 36.1 91 99 59 99 281 79.9 42.419 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6672 994.0 >11 scans 62% TIC 0.53% 0.0320% 1487 1.3 137 92968 1989474 1870836 2-0 0.941 13.22 30.4 94 96 94 99 110 38.8 8.051 -0.555 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1016 ? Limonene 13.8998 1027.2 8.3 scans 25% TIC 4.4% 0.00594% 1696 1.4 63 11128 368834 347034 1-0 0.390 13.89 51.9 72 96 65 94 136 13.9 4.831 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0887 1032.3 10.1 scans 89% 79 m/z 0.16% 0.258% 1728 1.5 305 295969 16047016 14683487 2-4 20: 79 108 107 77 51 91 78 50 90 80 89 65 63 39 109 52 53 105 74 62 0.987 14.11 53.3 92 100 99 100 108 135.4 19.706 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4564 1042.3 9.4 scans 92% 91 m/z 0.022% 0.800% 1790 1.1 555 2198584 49641305 45546563 2-5 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 135 66 74 58 38 134 0.994 14.44 57.5 91 100 99 100 120 180.5 10.595 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.0078 1057.2 7.9 scans 19% 70 m/z (134) 9.5% 0.00377% 1884 1.1 43 5228 234461 221091 1-1 5: 70 83 93 69 68 0.570 18.83 4.5 65 74 61 75 122 2.7 0.000 -3.822 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1707 1061.6 11.1 scans 84% TIC 0.16% 0.148% 1911 1.2 237 299721 0.207% 9242695 8167028 12843961 2-2 0.976 15.17 64.2 89 100 97 100 123 84.2 12.658 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN 98-86-2 ? Acetophenone 15.2617 1064.1 >11 scans 67% 105 m/z 0.31% 0.0660% 1927 1.5 169 158053 4100599 3786755 1-1 19: 105 77 120 51 78 50 43 106 121 107 76 74 62 63 65 75 49 125 81 0.929 15.29 -181.6 78 97 91 99 120 59.1 12.224 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4275 1068.6 8.6 scans 67% 95 m/z 0.32% 0.0792% 1955 1.2 193 154797 4915830 4613614 2-1 19: 95 81 124 79 43 53 109 39 41 65 96 82 66 125 51 55 63 62 80 0.890 15.43 66.9 87 100 93 100 124 58.8 9.279 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1002 ? Undecane 16.5993 1100.5 8.8 scans 23% 85 m/z 3.8% 0.00464% 2154 1.3 52 12891 288282 266059 2-0 14: 85 71 43 41 84 156 99 112 93 83 69 58 70 107 0.509 16.59 0.5 79 94 59 90 156 8.6 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7723 1107.8 18.4 scans 74% TIC 1.2% 0.0369% 2183 1.0 147 39650 0.0607% 2294683 2228730 3766321 0-1 0.971 16.82 85.4 78 94 94 94 124 3.6 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9624 1115.9 9.3 scans 77% TIC 0.32% 0.100% 2215 1.2 219 152036 0.156% 6230939 5800781 9679507 2-0 0.933 16.97 91.2 80 97 92 99 128 53.0 5.831 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0450 1119.3 9.6 scans 62% 91 m/z 0.31% 0.0673% 2229 1.7 159 158376 4179329 3668867 7-3 13: 91 92 122 65 93 77 78 89 63 62 103 104 90 0.950 17.05 93.3 81 99 93 99 122 54.2 11.660 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0710 1162.7 8.9 scans 43% 355 m/z 0.54% 0.0494% 2402 1.6 147 91855 3068614 2952644 1-2 18: 355 267 356 357 268 269 154 251 191 193 339 249 358 192 179 252 207 323 0.683 18.13 -169.0 78 99 56 98 355 78.6 28.516 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN M4942-N1002 ? Pyranone 18.1620 1166.5 10.1 scans 83% 144 m/z (110) 0.21% 0.221% 2418 0.7 286 232831 13744099 12412494 2-7 17: 144 43 101 44 72 55 45 115 42 145 58 71 102 54 53 116 38 0.989 20.04 -224.0 78 99 98 99 144 124.4 18.920 -1.880 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1018 ? Pyranone 18.1620 1166.5 10.1 scans 78% 144 m/z (97) 0.21% 0.206% 2418 0.7 276 234922 12840182 11596153 2-7 17: 144 43 101 44 72 55 45 115 42 145 58 71 102 54 53 116 38 0.946 18.22 123.0 77 99 91 99 144 125.6 20.656 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2499 1170.2 9.1 scans 31% 40 m/z (283) 4.4% 0.0126% 2433 0.9 74 11244 785143 730682 1-3 17: 40 69 60 97 96 85 152 41 87 57 115 39 88 108 70 82 109 0.750 22.03 -138.9 62 84 81 85 175 0.0 0.000 -3.784 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7003 1189.3 7.8 scans 46% 98 m/z (94) 4.2% 0.0154% 2510 1.2 87 11863 959348 882225 1-1 17: 98 69 111 82 70 67 95 97 81 108 39 85 84 110 71 93 112 0.906 18.71 138.5 72 96 88 99 153 4.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.0463 1203.9 >14 scans 51% 105 m/z (110) 1.1% 0.0317% 2568 0.8 97 42044 1968542 1730831 1-4 15: 105 122 77 76 50 78 115 123 45 62 74 37 66 104 129 0.876 20.03 133.2 70 91 89 95 122 46.0 22.499 -0.983 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1171 1206.9 7.9 scans 39% 82 m/z (152) 2.0% 0.0102% 2580 1.1 70 24265 635579 604492 1-2 6: 82 81 39 54 53 97 0.947 19.12 149.8 72 92 91 99 97 10.8 2.370 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2369 1211.9 >13 scans 7.2% 134 m/z (57) 7.4% 0.00290% 2600 1.7 32 6682 180114 158625 1-0 3: 134 91 89 0.881 13.76 12.4 76 82 63 81 134 13.3 16.891 5.480 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8043 1235.9 10.3 scans 63% TIC 0.71% 0.0376% 2696 1.3 131 69437 0.0456% 2335333 2145852 2829394 0-2 0.836 19.81 168.4 76 98 87 97 144 4.4 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3113 1257.3 8.2 scans 37% 57 m/z (109) 3.8% 0.00795% 2782 1.2 61 13110 493748 479938 0-1 6: 57 71 85 56 70 170 0.871 20.32 -0.4 85 91 88 95 170 8.5 1.923 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1034 ? Decanal 20.5197 1263.7 8.0 scans 67% 57 m/z (119) 2.0% 0.0373% 2818 0.9 129 24508 2317652 2047784 3-4 18: 57 41 55 70 71 82 68 56 83 44 96 112 69 81 67 42 84 45 0.973 20.57 -143.3 75 97 97 99 138 6.7 0.273 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9359 1276.2 10.3 scans 62% 94 m/z (81) 0.40% 0.0605% 2888 1.7 144 122008 3757288 3421049 2-3 5: 94 138 66 139 45 0.894 20.98 191.2 76 98 95 100 152 3.8 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9914 1277.8 8.7 scans 76% 137 m/z (94) 0.47% 0.135% 2897 1.0 243 104769 8413730 7664422 3-2 15: 137 152 109 123 81 67 91 79 93 41 55 53 153 119 124 0.981 21.00 192.5 63 86 80 85 155 0.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1721 1283.3 10.5 scans 2.6% 281 m/z 2.1% 0.00713% 2928 1.7 50 23401 0.00786% 442926 408614 487698 2-0 8: 281 282 194 284 251 283 133 267 0.697 12.25 130.2 74 98 61 96 281 39.6 61.975 8.921 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0044 1308.3 7.8 scans 17% 175 m/z (139) 1.4% 0.0135% 3069 1.1 81 33252 839332 757086 4-2 7: 175 190 176 159 191 131 118 0.532 22.01 207.9 63 87 53 98 190 19.3 5.706 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9017 1335.2 8.5 scans 48% 69 m/z 0.19% 0.161% 3221 1.0 275 249438 10037374 8843229 5-3 14: 69 43 109 86 71 110 127 128 95 67 58 170 111 44 0.924 22.91 221.6 78 98 90 98 127 38.0 1.915 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.3474 1348.6 >19 scans 77% 60 m/z 0.12% 0.719% 3297 0.1 419 410888 44637691 39136511 1-12 20: 60 73 57 129 55 115 41 43 98 69 61 87 45 42 83 74 56 70 39 101 0.953 25.35 199.4 77 96 93 99 162 0.0 0.000 -2.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.3474 1348.6 >19 scans 75% 60 m/z (111) 0.11% 0.781% 3297 0.1 415 424277 48497279 42520440 1-12 20: 60 73 57 129 55 115 41 43 98 69 61 87 45 42 83 74 56 70 39 101 0.994 22.70 -126.7 75 96 95 99 158 29.6 0.507 0.651 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0824 1371.4 7.4 scans 81% 73 m/z 0.11% 0.238% 3421 1.1 358 428628 14794854 13686032 2-5 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 45 251 191 148 75 0.927 24.17 -152.4 80 99 92 99 429 106.9 8.943 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6827 1391.4 8.3 scans 67% TIC 0.79% 0.0342% 3523 0.8 145 62548 0.0468% 2126568 2061920 2903852 0-1 0.894 24.70 251.8 72 92 81 98 170 5.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1957 1408.6 7.9 scans 31% 43 m/z (85) 1.7% 0.00810% 3610 1.6 61 27764 0.0110% 502898 465250 682529 1-0 7: 43 103 115 146 73 61 144 0.942 25.24 -151.3 75 99 95 99 145 23.1 14.299 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5582 1420.7 17.0 scans 81% 84 m/z 0.11% 0.339% 3671 0.9 293 443289 21038691 20239698 1-3 20: 84 133 42 162 161 119 92 130 85 65 120 163 82 77 55 41 44 131 81 51 0.963 25.89 263.7 75 95 89 95 162 75.8 6.683 -0.334 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0990 1472.1 6.7 scans 28% 221 m/z 0.92% 0.0285% 3932 1.0 130 53886 1768723 1670419 2-2 18: 221 73 147 281 267 355 282 223 222 148 443 283 356 323 268 74 191 251 0.835 27.12 297.2 76 98 86 97 355 25.2 3.739 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1645 1474.3 >8 scans 62% TIC 0.52% 0.0285% 3943 1.1 170 94514 0.117% 1772952 1772952 7259630 0-0 0.950 27.21 -1.5 91 93 89 92 198 20.1 1.403 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 27.9502 1503.7 8.6 scans 77% 161 m/z 0.38% 0.228% 4076 0.9 337 130881 14190798 13150084 1-2 20: 161 119 91 204 105 93 79 69 189 148 120 41 133 81 92 123 77 107 122 109 0.946 45.98 24.0 76 76 74 78 204 69.0 4.186 -18.025 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3782 1519.8 9.0 scans 46% 80 m/z (124) 0.65% 0.0316% 4149 1.0 115 76406 1961328 1770164 3-3 5: 80 171 172 170 104 0.937 28.39 326.4 72 94 87 95 171 52.2 20.513 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6627 1530.5 8.2 scans 87% TIC 0.058% 0.542% 4197 0.8 514 854607 33631381 29753499 7-9 0.971 28.67 333.1 79 99 97 99 194 33.1 0.414 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0878 1546.4 7.6 scans 74% 71 m/z (60) 0.30% 0.173% 4269 1.1 293 161789 10735371 9932227 2-1 20: 71 57 43 85 177 41 70 55 141 113 56 99 135 112 84 183 67 97 69 42 0.969 29.09 342.7 75 98 98 99 220 36.3 1.531 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5187 1562.6 8.5 scans 74% TIC 0.12% 0.270% 4342 1.4 364 385012 16810723 15076011 2-1 0.945 29.61 -150.5 79 99 94 99 503 61.6 2.873 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7578 1571.6 7.9 scans 73% 123 m/z 0.058% 0.228% 4382 1.0 342 854805 14147217 13057648 1-5 17: 123 43 135 124 107 95 109 79 91 41 77 39 81 97 67 93 125 0.942 29.77 357.6 79 99 93 98 193 28.4 0.690 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9379 1578.4 10.2 scans 57% 71 m/z (181) 0.58% 0.0867% 4413 1.1 168 84802 5381262 4984773 1-1 16: 71 85 57 99 43 113 155 127 84 70 56 169 197 154 114 156 0.962 29.94 362.0 72 95 93 98 254 4.9 0.084 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3180 1592.7 7.4 scans 33% 71 m/z (121) 1.0% 0.0291% 4478 1.3 117 49284 1811489 1575968 0-7 13: 71 85 43 56 41 151 212 99 169 113 98 86 197 0.876 30.38 -2.2 85 91 90 91 212 15.0 1.662 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4987 1600.0 8.1 scans 81% 191 m/z 0.027% 0.532% 4508 1.0 511 1835622 33026483 30323495 2-6 20: 191 206 192 57 163 74 175 41 115 91 107 207 73 88 77 147 161 128 133 105 0.955 30.50 375.2 80 99 93 99 206 141.1 7.607 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8181 1613.4 8.4 scans 64% 124 m/z (71) 0.39% 0.0961% 4562 1.0 207 124627 5968731 5442559 3-6 12: 124 137 55 180 125 138 54 82 59 96 181 139 0.971 30.81 384.0 76 97 93 100 180 50.0 5.844 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8724 1615.7 8.7 scans 40% 161 m/z (69) 1.2% 0.0394% 4571 1.3 131 40639 2447043 2222263 2-2 17: 161 162 147 134 119 189 133 115 205 118 145 106 148 163 146 190 131 0.934 30.88 -0.3 84 88 75 89 204 30.1 5.308 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2083 1629.8 9.8 scans 84% TIC 0.082% 0.501% 4628 0.7 457 607680 31135845 28742492 3-2 0.973 31.18 394.8 78 97 96 98 180 99.0 4.689 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2083 1629.8 9.7 scans 84% 111 m/z (59) 0.084% 0.533% 4628 0.6 456 588170 33102620 30350612 3-2 20: 111 109 137 67 180 43 110 124 152 95 41 79 81 77 112 69 39 53 93 91 0.981 31.20 394.4 72 95 95 95 180 97.3 4.555 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5022 1642.2 9.1 scans 47% 43 m/z (147) 1.0% 0.0328% 4678 1.2 115 49735 2039411 1832092 2-1 17: 43 98 166 111 151 39 55 82 85 127 68 81 59 83 67 123 126 0.897 31.52 -0.5 93 99 91 98 166 23.8 4.290 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8033 1654.8 8.6 scans 29% 95 m/z (85) 2.5% 0.0174% 4729 0.7 86 19773 1081306 1020333 1-2 20: 95 67 210 68 79 81 53 208 119 93 54 109 91 107 149 176 94 194 65 166 0.794 31.80 0.3 67 74 54 89 208 14.0 2.664 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9161 1659.6 8.0 scans 35% 83 m/z (143) 1.5% 0.0230% 4748 1.0 105 32344 1428233 1344027 3-2 4: 83 82 112 100 0.916 31.92 -0.1 70 76 84 79 219 3.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0737 1666.2 6.8 scans 36% 221 m/z 0.86% 0.0271% 4775 1.1 125 57620 1685048 1558935 2-6 19: 221 73 147 295 207 222 341 355 223 224 148 281 282 356 296 279 74 342 208 0.887 32.08 -0.2 96 97 86 96 355 22.4 3.211 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2331 1672.9 8.2 scans 40% 57 m/z 0.83% 0.0290% 4802 0.9 135 59465 1802640 1691836 1-1 18: 57 71 43 85 41 183 55 113 70 182 77 42 100 83 97 125 78 98 0.720 32.24 -0.2 90 95 77 92 226 7.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4344 1681.4 8.1 scans 59% 57 m/z (136) 0.69% 0.0615% 4836 1.1 168 71288 3818226 3567414 1-2 17: 57 71 85 56 43 41 55 196 99 113 197 42 127 141 70 168 111 0.938 32.44 -0.3 85 91 90 90 226 6.8 0.162 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 9.3 scans 71% 205 m/z (126) 1.3% 0.127% 4876 1.1 223 36005 7880522 7181456 2-8 18: 205 119 91 105 159 93 43 107 162 79 147 77 131 187 202 146 106 135 0.964 32.67 -0.2 93 95 91 97 220 15.8 0.500 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8606 1699.3 7.8 scans 31% 70 m/z (59) 0.92% 0.0319% 4908 1.2 123 53701 1984885 1759727 2-3 3: 70 201 154 0.818 32.87 -0.2 72 85 80 84 186 2.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9279 1702.1 8.0 scans 42% 71 m/z (177) 0.27% 0.0550% 4919 0.8 149 180327 3415349 2766180 4-6 9: 71 43 159 243 72 155 143 173 244 0.923 32.93 -0.2 94 99 94 99 243 24.6 2.723 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0837 1708.6 7.1 scans 34% 83 m/z (100) 3.2% 0.0213% 4945 1.1 109 15298 1322078 1258558 1-1 20: 83 97 55 69 56 57 70 41 84 43 82 112 125 71 98 151 67 73 85 42 0.902 33.09 -0.1 83 87 92 98 224 5.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 7.7 scans 63% 57 m/z (150) 0.43% 0.0951% 4983 0.6 197 115663 5902688 5231449 1-8 15: 57 71 43 85 41 99 56 70 226 113 42 98 72 112 58 0.913 33.37 -2.9 90 98 92 97 226 21.1 1.151 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2685 1733.6 8.2 scans 34% 57 m/z (181) 1.2% 0.0314% 5147 0.9 120 41384 1951016 1803070 1-1 15: 57 71 43 85 41 211 98 210 182 113 197 127 183 54 141 0.796 34.27 0.0 85 94 89 97 211 20.6 2.942 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3831 1735.2 7.7 scans 93% 355 m/z 0.029% 1.35% 5166 0.9 838 1707544 83922259 78810615 2-2 20: 355 73 221 147 281 356 401 357 282 222 415 327 267 74 207 283 403 148 358 223 0.994 34.39 452.2 81 100 99 100 415 99.5 1.411 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8482 1741.9 17.6 scans 89% 91 m/z 0.025% 1.88% 5245 0.2 694 1969931 116773293 107044445 1-2 20: 91 155 199 90 65 184 92 120 89 44 137 106 63 39 77 64 156 200 51 78 0.988 34.79 452.9 80 100 98 99 199 197.9 8.130 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9008 1742.7 7.9 scans 37% 68 m/z (71 207) 1.1% 0.0452% 5254 0.8 145 41661 2807175 2509983 3-4 2: 68 224 0.921 34.90 -0.0 82 87 82 90 224 19.6 1.841 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1042 ?? Phytol 35.3406 1748.9 9.0 scans 48% 57 m/z (151) 1.1% 0.0834% 5328 0.9 182 44207 5176347 4591404 6-1 20: 57 71 43 69 41 85 126 95 56 55 81 70 137 135 82 111 105 83 109 96 0.807 35.35 451.5 61 91 88 96 196 20.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6936 1754.0 9.2 scans 64% 123 m/z (136) 0.26% 0.130% 5388 1.1 226 189516 8088624 7316529 3-2 18: 123 193 43 124 175 109 105 79 125 209 77 91 121 194 149 195 133 107 0.967 35.70 451.3 74 96 94 96 224 16.7 0.548 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1214 ?? Hexadecane, 4-methyl- 37.0390 1773.2 9.8 scans 45% 57 m/z (159) 1.4% 0.0374% 5616 1.6 117 35444 2323406 2105705 1-2 19: 57 71 85 69 56 43 196 41 99 70 98 126 225 83 125 141 97 127 86 0.918 33.90 44.9 67 76 82 83 197 10.0 0.718 3.143 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1989 1775.5 10.2 scans 16% TIC 1.6% 0.00460% 5643 0.8 72 30991 285773 276689 1-0 0.523 37.20 449.2 72 96 57 95 224 27.9 15.215 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3058 1777.1 10.0 scans 44% 85 m/z (146) 1.6% 0.0403% 5661 1.2 120 29675 2502980 2171255 1-3 20: 85 57 71 43 99 84 211 41 210 56 69 55 224 183 98 70 111 140 126 226 0.904 38.91 -22.9 78 85 91 84 254 1.9 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0525 1787.7 8.1 scans 60% 57 m/z (87) 0.71% 0.0538% 5788 1.1 160 69529 3338173 3187355 1-1 20: 57 71 85 43 56 225 41 99 55 224 113 127 141 69 83 84 98 239 155 197 0.951 38.06 448.0 74 98 96 98 225 30.7 3.699 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5815 1795.3 9.1 scans 92% 73 m/z 0.024% 1.80% 5877 1.0 893 2027730 112262850 102376959 2-3 20: 73 147 355 281 431 356 222 357 74 148 282 342 295 267 325 223 283 327 402 149 0.993 38.59 447.2 80 99 99 100 429 260.6 8.523 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N406_R~1-N1010 ?? Phytol 41.52min 39.2480 1841.9 8.0 scans 25% 123 m/z 1.8% 0.0109% 5990 1.2 80 26854 682423 638582 1-2 10: 123 95 82 96 81 67 278 107 124 137 0.648 41.52 448.0 60 82 52 80 278 15.6 3.833 -2.273 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2480 1841.9 8.0 scans 43% 123 m/z (86) 1.8% 0.0229% 5990 1.2 105 27143 1424624 1333101 1-2 10: 123 95 82 96 81 67 278 107 124 137 0.922 41.03 455.6 66 91 87 90 278 15.7 2.247 -1.786 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4475 1866.6 7.7 scans 81% 74 m/z 0.15% 0.182% 6024 1.0 313 329190 11326175 10748294 1-3 20: 74 87 43 143 55 75 41 213 69 57 59 225 129 101 199 83 88 157 97 256 0.947 39.45 505.1 65 88 82 90 256 46.3 2.179 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.7722 1906.9 8.0 scans 93% 68 m/z 0.067% 1.18% 6079 0.7 775 735379 73799450 68105520 2-2 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.996 39.94 537.8 80 99 99 99 278 40.8 0.277 -0.164 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8956 1922.2 8.0 scans 69% 58 m/z 0.53% 0.0901% 6100 1.0 226 93463 5593508 5277422 1-4 19: 58 43 71 59 57 85 55 109 95 41 69 110 124 83 81 56 123 113 250 0.915 39.88 553.9 76 98 92 96 250 23.8 1.110 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3135 1974.0 8.6 scans 49% 149 m/z (227) 0.20% 0.0529% 6171 1.2 152 248341 3285818 2965628 3-1 10: 149 150 223 104 76 167 205 132 50 148 0.969 40.31 599.1 71 95 76 95 223 35.1 5.317 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN N406_R~1-N1110 Phytol 40.5030 1997.5 17.6 scans 93% 81 m/z 0.017% 9.00% 6203 0.1 1541 2850486 558843690 525386384 0-5 20: 81 95 82 123 68 79 57 43 55 67 83 41 124 109 96 71 97 278 111 110 0.999 40.66 -19.7 100 100 100 100 278 203.1 1.738 -0.159 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 40.6110 2010.9 >10 scans 28% TIC 0.83% 0.0358% 6221 2.6 152 59756 2225309 1948711 1-1 0.937 36.58 694.4 74 94 92 96 369 24.3 2.562 4.032 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6152 2011.4 7.1 scans 26% 221 m/z (81) 0.86% 0.0383% 6222 1.0 144 57596 2377262 2236557 1-3 20: 221 73 147 295 207 281 222 369 296 223 355 282 148 370 297 341 74 205 265 401 0.928 40.63 631.3 74 98 95 99 369 23.5 2.665 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1254 Phytol 40.8962 2046.2 9.7 scans 94% TIC 0.029% 2.59% 6269 0.6 1053 1702592 160760454 152321356 2-2 0.992 40.87 3.5 98 98 98 98 278 153.6 2.125 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0113 2060.5 7.5 scans 20% TIC 2.2% 0.00390% 6289 1.1 84 21878 242060 238394 1-0 0.674 41.00 674.7 72 96 66 96 262 12.7 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3182 2098.6 11.5 scans 92% 79 m/z 0.019% 4.28% 6341 0.3 1245 2519065 265788551 253625898 2-3 20: 79 67 93 95 80 91 121 108 81 55 77 94 41 107 135 87 105 59 78 122 0.993 41.26 7.6 97 96 97 98 264 97.7 0.615 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.5302 2121.6 8.4 scans 81% 175 m/z 0.096% 0.809% 6377 0.4 618 516865 50256635 46917364 4-1 19: 175 55 91 261 41 203 77 135 109 233 128 129 107 149 190 137 179 276 145 0.949 41.49 -75.0 85 98 87 98 276 44.5 0.520 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.1370 2155.7 19.9 scans 95% TIC 0.0084% 10.8% 6479 0.2 1607 5866280 673968363 647146038 0-2 1.000 42.01 753.7 78 97 98 98 272 46.7 0.084 0.126 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3384 2167.0 8.3 scans 80% 73 m/z 0.14% 0.241% 6513 1.1 342 341300 14984051 13807475 2-3 20: 73 147 281 221 355 429 503 207 341 282 222 356 504 430 415 283 148 295 431 505 0.958 42.37 758.0 75 94 95 99 503 56.8 2.755 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1252 Contamination 43.31min 43.2976 2220.9 9.8 scans 47% 263 m/z (97) 0.90% 0.0438% 6677 1.8 120 55377 2718108 2403756 3-4 15: 263 278 264 124 147 203 107 219 133 236 143 161 279 201 157 0.759 43.31 -0.5 82 87 62 86 278 29.5 6.048 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8537 2252.1 8.2 scans 33% 71 m/z (157) 3.1% 0.0129% 6770 1.1 81 15859 802682 776483 1-0 18: 71 85 127 57 43 126 55 113 239 72 99 70 140 197 41 169 141 86 0.900 43.94 -4.6 63 75 82 77 282 3.7 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 45.1572 2327.0 9.8 scans 22% 189 m/z (83) 14% 0.00628% 6991 0.9 51 3510 390031 383925 0-1 20: 189 91 119 137 81 69 106 95 159 257 105 139 41 93 97 70 161 94 120 43 0.605 44.90 14.8 66 81 49 76 272 5.5 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8018 2364.1 7.6 scans 59% 73 m/z (95) 1.0% 0.0308% 7100 1.1 123 46405 1911507 1734532 2-3 20: 73 355 147 221 281 356 357 207 429 341 282 222 148 283 401 74 295 339 265 325 0.854 45.78 1.5 94 97 85 96 503 11.6 0.888 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1228 ?? C18:2-butanoate 46.0397 2377.8 14.3 scans 92% 81 m/z 0.031% 4.61% 7141 0.6 1170 1568635 286102372 266394208 2-0 20: 81 67 82 55 68 79 109 69 83 150 93 263 124 94 136 59 121 164 91 74 0.986 46.00 2.2 60 59 76 63 294 135.7 1.346 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.2109 2387.6 14.1 scans 83% TIC 0.017% 6.05% 7170 0.3 1361 2913612 375704252 348063098 1-2 0.911 46.13 4.4 94 93 90 97 292 115.3 0.717 0.077 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7670 2419.6 7.7 scans 87% 74 m/z 0.087% 0.378% 7264 1.0 445 572534 23495970 21738205 2-4 20: 74 87 43 143 75 55 298 255 41 57 69 199 83 97 129 59 101 88 267 71 0.972 46.76 924.5 79 99 99 99 298 81.6 3.366 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5096 2462.4 7.7 scans 33% 138 m/z 0.97% 0.0270% 7389 1.0 121 51279 1677820 1529881 5-3 12: 138 120 121 57 139 111 70 168 92 84 98 306 0.660 47.50 949.6 77 98 69 97 168 17.0 1.966 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9394 2544.7 7.7 scans 53% 73 m/z (131) 2.0% 0.0162% 7632 1.0 87 23915 1008920 900362 3-5 20: 73 147 429 221 355 281 356 207 341 295 205 148 327 430 265 432 283 415 369 267 0.842 48.95 994.3 72 99 89 98 429 24.7 8.027 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9394 2544.7 7.7 scans 48% 73 m/z 2.0% 0.0138% 7632 1.0 83 23877 861458 768767 3-5 20: 73 147 429 221 355 281 356 207 341 295 205 148 327 430 265 432 283 415 369 267 0.794 51.86 913.8 72 94 75 92 503 6.7 0.650 -2.919 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 51.1360 2671.0 7.8 scans 45% 74 m/z (115) 3.5% 0.00859% 8004 1.2 64 14221 533295 498349 3-5 8: 74 326 143 87 283 88 241 101 0.807 50.36 1084.0 70 95 78 92 326 14.3 5.063 0.779 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6379 2872.5 9.4 scans 34% 147 m/z (340) 6.6% 0.00529% 8597 0.9 42 7549 328807 262492 9-9 10: 147 295 222 282 148 503 73 267 357 341 0.625 45.81 1396.0 67 93 63 92 503 6.8 0.000 8.826 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1657 772.7 4.6 scans 90% 77 m/z (74) 0.039% 0.207% 47 2.4 333 1256017 11079835 9101669 1-8 17: 77 45 78 79 62 76 59 75 61 63 47 46 92 60 64 80 65 0.998 4.37 18.7 99 100 100 100 77 282.4 71.922 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2112 826.0 >8 scans 62% 57 m/z (67) 1.1% 0.0155% 394 0.5 76 42412 0.0331% 828876 731333 1769473 0-6 10: 57 41 87 39 59 42 45 102 55 38 0.955 6.03 -135.6 77 99 99 100 102 8.3 1.194 0.178 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5324 834.3 18.6 scans 75% 207 m/z 0.52% 0.0534% 448 2.7 103 95499 2859071 2719740 1-1 17: 207 177 208 163 209 96 161 193 147 103 192 119 211 178 194 135 67 0.878 6.53 -142.5 80 100 88 99 207 77.9 57.303 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6339 863.0 8.0 scans 94% 55 m/z 0.15% 0.480% 635 1.8 406 313590 25676290 23479305 1-4 20: 55 69 41 83 39 42 57 98 70 43 56 97 80 53 54 79 40 68 51 38 0.994 7.71 7.7 100 100 99 100 98 77.8 3.677 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2161 982.3 10.7 scans 38% 281 m/z (95) 0.51% 0.0507% 1411 2.2 113 96870 2714908 2493804 2-2 20: 281 43 99 71 282 283 39 134 191 249 133 267 250 284 205 126 207 42 192 251 0.514 12.22 36.0 90 98 81 99 281 78.4 48.435 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2191 1008.8 9.8 scans 92% TIC 0.11% 0.255% 1581 1.9 270 436634 13671380 12178872 2-3 0.976 13.22 45.2 92 97 96 100 110 73.1 7.314 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1016 Limonene 13.8926 1027.0 8.2 scans 66% 68 m/z 0.99% 0.0561% 1695 1.2 145 50362 2999206 2636906 2-8 20: 68 93 67 124 79 94 121 136 107 53 92 91 77 43 81 95 39 80 51 65 0.792 13.89 51.7 86 98 86 97 136 28.2 3.795 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0774 1032.0 10.3 scans 65% 79 m/z 0.85% 0.0508% 1726 1.6 125 58549 2718386 2538291 1-3 18: 79 108 107 77 51 91 78 62 80 90 50 89 65 63 105 52 75 76 0.927 14.11 53.0 91 99 90 98 108 57.5 21.068 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4334 1041.7 9.5 scans 83% 91 m/z 0.14% 0.151% 1786 1.6 214 354518 8122650 7407706 2-4 18: 91 92 120 65 63 39 89 51 62 121 90 50 64 38 52 61 76 37 0.968 14.44 56.9 91 100 98 100 120 68.6 10.252 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1660 1061.5 >11 scans 87% 105 m/z 0.13% 0.215% 1910 1.0 257 362149 11516809 10545615 2-1 20: 105 77 51 46 106 78 74 75 79 124 52 53 50 67 39 104 49 63 64 44 0.952 15.17 64.1 89 100 99 100 123 89.4 12.091 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN 98-86-2 ? Acetophenone 15.2557 1063.9 10.5 scans 82% TIC 0.12% 0.201% 1926 1.2 268 398685 10768475 9784422 1-2 0.977 15.29 -181.8 79 98 96 99 120 92.3 11.848 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4210 1068.4 8.7 scans 79% 95 m/z 0.11% 0.289% 1954 1.3 323 433624 15474859 14284973 1-6 20: 95 81 124 43 79 53 109 39 41 82 65 96 66 51 55 67 77 50 125 80 0.938 15.43 66.7 87 98 90 100 124 94.7 8.594 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1012 ?? Nicotine 16.2191 1090.0 7.7 scans 5.9% 133 m/z 12% 0.000467% 2090 1.1 16 3959 24966 23568 1-0 3: 133 105 103 0.338 25.78 -65.3 65 100 100 100 162 0.0 0.000 -9.559 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1002 Undecane 16.6022 1100.6 8.6 scans 57% 57 m/z 2.0% 0.0227% 2154 1.1 96 24683 1216687 1099562 2-1 20: 57 43 71 85 41 56 55 70 112 154 42 39 121 93 97 99 67 82 98 83 0.816 16.59 0.6 87 95 86 93 156 10.9 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7693 1107.7 8.5 scans 75% 57 m/z (112) 0.71% 0.100% 2182 1.3 183 70403 0.116% 5383453 4987907 6201174 0-3 20: 57 41 56 55 44 98 70 43 68 69 82 95 81 96 67 83 42 39 114 54 0.967 16.82 85.3 76 95 93 95 124 5.1 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9588 1115.7 8.6 scans 87% TIC 0.13% 0.336% 2214 1.4 339 376184 17973037 16101021 2-3 0.961 16.97 91.0 81 98 95 100 128 82.1 5.848 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0420 1119.2 9.7 scans 39% 91 m/z (124) 0.89% 0.0273% 2228 1.5 91 56130 0.0298% 1464395 1274741 1593060 0-3 8: 91 92 93 78 65 63 103 137 0.908 17.05 93.2 76 98 89 98 122 29.7 10.725 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0686 1162.6 8.9 scans 73% 73 m/z 0.50% 0.0659% 2402 1.5 155 99546 3524978 3388795 1-2 19: 73 355 267 356 268 357 269 251 323 74 177 193 339 358 205 75 341 252 179 0.887 18.13 -169.1 79 99 86 98 355 68.9 19.737 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2144 1168.8 9.7 scans 6.9% 281 m/z (68 60) 11% 0.00183% 2427 3.0 23 4205 97984 92014 1-0 3: 281 282 207 0.367 12.25 15.7 73 92 40 89 281 16.3 52.547 5.963 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7009 1189.3 8.5 scans 70% 98 m/z 1.3% 0.0525% 2509 1.1 148 37081 2809411 2642174 1-1 20: 98 55 69 82 111 43 41 70 67 95 39 97 126 110 107 53 71 83 100 99 0.922 18.71 138.5 77 97 92 99 153 6.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8213 1194.4 9.5 scans 39% 70 m/z (122) 3.2% 0.0190% 2530 1.0 78 15633 1020433 913813 1-2 9: 70 41 39 57 84 56 68 96 151 0.604 18.83 141.7 65 92 87 92 122 4.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1170 1206.9 8.2 scans 46% 82 m/z 1.3% 0.0145% 2580 1.2 81 38210 776270 685283 2-2 10: 82 81 43 39 54 53 97 71 79 63 0.816 19.12 149.8 77 100 84 99 97 13.6 2.863 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2428 1212.2 9.0 scans 14% 119 m/z (60) 4.3% 0.00541% 2601 1.2 43 11452 289673 270782 4-1 3: 119 91 134 0.920 13.76 12.7 76 80 65 80 134 15.8 13.750 5.486 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7959 1235.6 9.1 scans 76% 57 m/z 0.29% 0.133% 2695 1.6 210 172484 7155002 6340967 9-4 19: 57 45 41 75 87 56 89 59 72 101 100 85 60 73 71 58 55 44 132 0.942 19.81 168.1 78 98 95 99 144 4.7 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3066 1257.1 10.5 scans 40% 57 m/z (107) 2.8% 0.0147% 2782 1.5 66 17591 790418 691092 4-1 11: 57 71 85 41 56 170 84 70 113 73 126 0.890 20.32 -0.6 89 96 86 93 170 8.3 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5214 1263.7 8.3 scans 73% 57 m/z 1.2% 0.0644% 2818 1.0 162 41238 3443364 3172544 7-2 20: 57 41 55 43 70 82 68 71 83 56 44 112 67 81 69 96 84 42 39 54 0.937 20.56 185.0 77 99 96 99 128 14.2 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1034 ? Decanal 20.5220 1263.8 8.4 scans 69% TIC 1.2% 0.0598% 2818 0.8 157 41111 3199838 2802467 4-1 0.900 20.57 -143.2 77 99 91 97 138 8.7 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 20.7670 1271.1 7.5 scans 35% 57 m/z (83) 2.6% 0.0102% 2859 1.0 66 19215 549909 549172 0-1 9: 57 71 99 112 85 113 70 135 72 0.770 33.32 4.1 67 75 80 80 226 0.0 0.000 -12.552 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9382 1276.3 12.2 scans 53% 94 m/z (137) 0.43% 0.0680% 2889 1.5 132 115163 3635274 3510142 1-2 4: 94 138 66 139 0.943 20.98 191.3 77 99 96 99 152 5.2 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9896 1277.8 8.6 scans 84% 137 m/z (94) 0.27% 0.278% 2897 1.0 315 185210 14889152 13827763 3-2 18: 137 152 109 123 81 67 91 79 41 93 95 107 39 55 119 53 43 153 0.980 21.00 192.5 63 86 80 86 155 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1042 ?? Phytol 21.2706 1286.2 10.9 scans 39% 57 m/z (136) 5.9% 0.0118% 2945 1.2 63 8358 631603 573188 1-1 11: 57 71 55 41 95 126 87 69 81 127 83 0.848 35.35 -11.2 69 79 72 78 196 0.0 0.000 -14.076 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4483 1291.6 6.5 scans 3.8% 147 m/z 7.8% 0.00199% 2974 0.8 31 6403 0.00201% 106843 99574 107451 2-0 3: 147 369 265 0.561 21.56 -147.1 71 96 48 93 369 10.6 11.505 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0073 1308.3 8.2 scans 12% 175 m/z 0.90% 0.0136% 3070 0.9 73 55259 728781 681930 2-4 7: 175 190 176 66 64 147 115 0.560 22.01 207.9 73 97 62 96 190 24.1 10.926 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1040 ?? Nonanoic acid 22.8379 1333.3 11.8 scans 42% 60 m/z (43) 0.80% 0.0763% 3211 0.2 144 62484 0.0890% 4081235 4041547 4757797 1-1 19: 60 73 57 129 98 115 55 87 101 61 45 74 96 137 130 122 119 56 89 0.884 22.70 -142.0 68 92 85 93 158 9.9 0.472 0.142 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9016 1335.2 8.5 scans 80% 43 m/z (57) 0.13% 0.346% 3221 1.0 339 375350 18516443 16192807 4-5 15: 43 69 109 86 41 110 127 128 67 95 39 58 68 81 44 0.988 22.91 221.6 75 97 96 98 127 45.5 1.803 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.2440 1345.5 7.3 scans 40% 71 m/z (125) 3.2% 0.0116% 3279 1.2 72 15510 621626 570830 1-1 18: 71 57 85 43 113 70 127 84 42 55 99 86 126 155 41 56 112 69 0.944 23.86 -18.5 74 79 86 78 184 0.0 0.000 -0.618 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0811 1371.3 7.5 scans 73% 73 m/z 0.14% 0.225% 3421 1.0 314 355440 12067994 11088207 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 45 75 148 251 59 0.904 24.17 -152.5 79 99 91 99 429 96.6 9.479 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5404 1386.7 7.8 scans 71% TIC 0.68% 0.0393% 3499 1.2 150 72695 0.0570% 2105820 2041737 3047129 1-0 0.926 24.54 249.4 78 99 93 98 169 16.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6726 1391.1 7.7 scans 49% 43 m/z (123) 2.1% 0.0187% 3521 1.0 88 23090 0.0207% 1004480 922245 1106589 0-5 19: 43 142 83 113 82 111 56 69 55 41 128 85 127 71 39 93 67 70 81 0.928 24.70 251.5 65 87 85 95 170 2.5 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.3982 1415.3 10.1 scans 84% 84 m/z (71) 0.080% 0.390% 3644 1.8 332 619933 20862128 19720104 1-3 20: 84 133 162 161 42 119 92 118 85 82 130 134 65 51 78 117 159 63 163 39 0.918 25.89 258.3 74 96 84 96 162 87.5 6.937 -0.494 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7760 1427.9 7.6 scans 36% 93 m/z (85) 3.2% 0.0151% 3708 1.2 78 15381 812253 712911 2-2 9: 93 71 136 70 155 154 92 99 156 0.821 25.78 272.6 62 91 72 89 194 9.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1674 1474.4 7.9 scans 65% 57 m/z (119) 0.43% 0.0750% 3944 1.2 177 114762 0.118% 4010321 3861093 6308091 1-0 19: 57 71 85 43 41 56 198 70 99 55 118 98 113 112 42 127 141 126 86 0.958 27.21 -1.4 92 94 94 96 198 22.7 1.640 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 27.9502 1503.7 8.5 scans 79% 161 m/z 0.39% 0.270% 4076 0.9 330 127588 14445875 13708183 1-1 20: 161 119 93 91 105 204 79 69 189 120 148 41 81 133 77 92 123 107 109 122 0.929 45.98 24.0 77 77 72 79 204 66.8 4.096 -18.025 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1032 ?? Myosmine 28.0428 1507.1 10.6 scans 31% 118 m/z (147) 2.1% 0.0263% 4092 1.6 87 22988 1409908 1306294 0-3 15: 118 105 116 146 72 191 78 176 63 117 132 52 142 133 104 0.801 27.93 320.4 67 91 79 92 146 33.2 14.648 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3776 1519.7 8.9 scans 37% 80 m/z 0.84% 0.0225% 4148 1.1 93 59592 1205823 1114606 2-4 11: 80 171 53 170 78 103 104 102 52 168 167 0.835 28.39 326.3 74 94 78 93 171 45.3 23.910 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6621 1530.4 8.2 scans 85% 43 m/z (166) 0.067% 0.650% 4197 0.9 479 740590 34752626 30072887 8-10 20: 43 69 41 151 107 136 67 125 93 109 121 53 83 81 39 68 79 108 95 55 0.995 28.67 333.0 78 99 99 100 194 30.0 0.392 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0930 1546.6 7.7 scans 76% 71 m/z (166) 0.18% 0.308% 4270 1.0 348 264861 0.430% 16486937 15163204 22987111 2-0 20: 71 57 43 85 41 177 55 70 141 113 56 99 112 220 84 69 183 97 135 149 0.980 29.09 342.9 76 98 98 99 220 42.9 1.520 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5110 1562.3 7.4 scans 77% 73 m/z 0.097% 0.399% 4341 1.0 418 512789 21332230 20281691 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 148 504 416 74 329 325 417 342 0.966 29.61 -150.8 79 99 95 99 503 72.3 2.983 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7731 1572.2 8.2 scans 81% 123 m/z 0.021% 0.789% 4385 0.7 569 2318021 42218491 38463794 1-3 20: 123 43 135 124 107 91 95 79 109 41 77 55 39 53 81 93 69 67 105 165 0.983 29.77 358.2 78 98 97 98 193 46.9 0.679 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9396 1578.5 9.1 scans 79% 71 m/z (72) 0.12% 0.474% 4413 0.7 380 411107 25379484 22959963 1-2 20: 71 85 57 43 99 113 41 69 127 55 70 84 155 56 83 86 126 111 42 112 0.968 30.38 -16.4 78 81 90 82 212 5.1 0.000 -0.437 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9402 1578.5 9.3 scans 74% TIC 0.11% 0.378% 4413 0.8 369 426892 20210525 19365589 1-2 0.908 29.94 362.1 74 95 91 94 254 10.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5045 1600.3 8.4 scans 91% 191 m/z 0.014% 1.28% 4509 0.8 711 3454575 68950126 64760711 2-3 20: 191 206 192 57 163 74 175 91 41 115 107 207 73 77 147 128 88 161 133 105 0.993 30.50 375.5 81 100 99 100 206 191.2 7.236 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8327 1614.1 8.6 scans 16% 124 m/z (168) 1.6% 0.0147% 4565 0.9 72 29754 789818 714410 2-9 4: 124 137 180 138 0.949 30.81 384.7 61 84 61 85 180 23.5 10.503 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8817 1616.1 8.9 scans 42% TIC 0.91% 0.0320% 4573 1.0 145 54473 1711785 1592851 1-1 0.765 30.88 0.1 85 86 66 90 204 32.3 4.962 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2412 1631.2 12.1 scans 77% TIC 0.041% 1.25% 4634 0.5 604 1196404 1.43% 67326163 62113288 76445510 2-0 0.893 31.18 396.2 77 97 86 98 180 137.5 5.175 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5081 1642.4 9.8 scans 32% 43 m/z 0.63% 0.0354% 4679 1.3 121 79358 1892718 1746869 2-0 20: 43 85 98 111 55 127 99 68 82 84 166 183 69 39 83 126 182 151 59 56 0.559 31.52 -0.3 88 92 66 89 166 26.3 4.686 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7914 1654.3 8.8 scans 23% 193 m/z (57) 0.97% 0.0239% 4726 0.9 92 51330 1281746 1192099 1-3 3: 193 175 208 0.839 31.80 -0.2 72 77 47 84 208 20.8 5.076 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9136 1659.5 8.1 scans 55% 71 m/z (143) 0.95% 0.0761% 4748 0.6 159 52456 4071762 3604620 2-1 20: 71 57 85 83 43 82 55 69 99 70 41 113 84 127 111 56 67 112 97 155 0.962 31.92 -0.2 82 87 91 91 219 8.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0630 1665.7 6.5 scans 39% 221 m/z 0.54% 0.0495% 4773 1.0 156 92761 2649799 2523477 2-2 20: 221 73 147 222 295 207 341 355 223 296 325 281 224 208 267 342 148 74 297 282 0.928 32.08 -0.7 96 97 88 97 355 27.7 3.146 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2342 1672.9 8.8 scans 54% 57 m/z 0.37% 0.109% 4802 1.5 199 133553 5869700 5597846 1-1 19: 57 43 71 85 41 99 183 56 55 113 105 182 70 69 42 141 97 100 192 0.797 32.24 -0.2 91 93 77 91 226 9.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4420 1681.7 10.1 scans 29% 57 m/z 0.58% 0.0441% 4837 0.9 133 85543 0.0471% 2359016 2068588 2517891 5-1 19: 57 43 56 41 196 99 97 70 83 113 141 110 67 111 109 128 168 53 39 0.507 32.44 -0.0 79 85 52 81 226 6.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6704 1691.3 8.7 scans 79% 205 m/z (163) 0.66% 0.284% 4876 0.9 318 75377 15229823 14083121 2-3 20: 205 91 119 43 105 93 159 79 107 162 147 77 187 41 131 117 121 106 133 81 0.988 32.67 -0.2 93 93 92 97 220 21.4 0.451 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8635 1699.4 8.1 scans 19% 70 m/z (149) 0.68% 0.0417% 4909 1.5 119 72957 2231378 1998723 12-1 4: 70 109 165 64 0.722 32.87 -0.1 66 77 61 77 186 3.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9302 1702.2 8.1 scans 57% 71 m/z 0.081% 0.171% 4920 0.9 262 614958 9176200 8066922 4-7 15: 71 43 159 111 243 56 72 155 173 89 98 73 244 44 143 0.857 32.93 -0.1 96 98 93 97 243 44.5 2.874 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0849 1708.7 7.5 scans 41% 83 m/z (216) 2.0% 0.0452% 4946 0.8 137 24074 2417187 2148749 1-1 20: 83 97 55 56 69 70 57 41 82 43 84 71 85 98 112 125 54 42 68 126 0.935 33.09 -0.0 90 92 97 97 224 7.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3068 1718.0 7.5 scans 70% 57 m/z (138) 0.25% 0.175% 4984 0.6 251 196893 9385791 8282605 2-9 18: 57 71 43 85 41 55 56 99 70 226 113 84 42 98 112 72 141 140 0.957 33.37 -2.8 92 98 95 98 226 29.8 1.401 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.4 scans 42% 71 m/z (233) 1.0% 0.0450% 5083 1.0 140 48241 0.0490% 2408116 2316460 2619462 3-1 20: 71 57 43 85 70 197 41 55 196 99 113 56 127 141 69 67 58 123 140 72 0.905 33.90 -0.1 90 95 94 99 197 26.2 3.490 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2673 1733.6 7.9 scans 37% 57 m/z (173) 1.0% 0.0399% 5147 1.1 130 49701 2135226 2135226 0-0 18: 57 85 211 210 41 98 212 182 225 183 127 140 141 42 97 82 67 123 0.915 34.27 -0.0 89 93 91 96 211 22.9 3.126 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4042 1735.6 11.9 scans 96% 221 m/z 0.0098% 7.13% 5170 0.3 1439 5101407 381437373 370819611 2-1 20: 221 356 401 267 207 283 385 416 131 59 117 145 399 359 404 249 251 326 87 192 0.989 34.39 452.6 80 100 98 100 415 174.8 1.478 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8375 1741.7 17.1 scans 88% 91 m/z 0.027% 1.90% 5243 0.2 644 1821878 101888497 99874631 0-1 20: 91 155 199 90 65 184 92 89 44 120 63 106 39 77 51 134 78 107 109 157 0.985 34.79 452.7 80 99 97 99 199 184.7 8.231 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9037 1742.7 8.0 scans 31% 68 m/z (71) 0.90% 0.0691% 5255 1.0 162 55514 3695185 3446747 0-2 3: 68 111 54 0.917 34.90 -0.0 87 90 93 97 224 20.7 1.632 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6894 1753.9 9.1 scans 50% 123 m/z (71) 0.23% 0.158% 5388 1.2 229 216007 8453145 7702144 2-2 18: 123 193 209 124 125 109 105 195 77 165 79 91 167 224 210 179 133 149 0.977 35.70 451.2 76 98 93 98 224 24.1 1.100 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9291 1757.4 9.0 scans 50% 159 m/z (85) 0.47% 0.196% 5428 1.0 258 104407 10526289 9523907 1-3 16: 159 105 220 199 93 119 132 77 79 131 117 115 89 109 107 160 0.943 35.94 451.0 73 95 94 97 238 6.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2000 1775.5 8.1 scans 15% 209 m/z 0.81% 0.0246% 5643 1.1 103 61588 1318275 1238762 2-1 16: 209 224 181 210 165 105 166 225 179 103 211 193 207 152 89 78 0.702 37.20 449.2 73 96 66 95 224 38.1 13.670 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3034 1777.0 9.7 scans 58% 71 m/z (129) 0.48% 0.158% 5661 1.3 218 103882 8468262 7346127 1-3 19: 71 85 57 43 99 113 127 84 41 55 69 169 155 70 141 112 111 126 56 0.968 38.91 -23.0 81 86 94 85 254 3.2 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0602 1787.8 8.3 scans 61% TIC 0.30% 0.100% 5789 0.9 232 162608 5367774 5227375 2-1 0.895 38.06 448.1 77 99 91 98 225 43.7 3.545 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5802 1795.3 10.6 scans 95% 73 m/z 0.012% 5.71% 5877 0.6 1348 3992384 305305335 287940825 3-2 20: 73 430 341 207 222 401 148 342 267 325 223 343 283 459 149 208 403 191 205 296 0.993 38.59 447.2 80 99 98 100 429 402.7 8.931 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8057 1798.5 9.4 scans 50% 71 m/z (253) 0.49% 0.112% 5915 1.4 194 101376 5994346 5572110 1-1 20: 71 85 57 127 239 43 55 126 41 211 99 113 69 84 240 141 67 70 155 72 0.824 36.21 -52.4 68 89 89 88 240 18.9 0.000 2.595 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4492 1866.9 7.9 scans 61% TIC 0.28% 0.0943% 6024 0.9 220 178385 0.102% 5044158 4450471 5452757 5-3 0.899 39.45 505.4 71 94 83 94 256 33.9 2.370 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.7939 1909.6 9.1 scans 94% 68 m/z 0.037% 2.83% 6083 0.5 1027 1333449 151639801 144544199 2-1 20: 68 95 82 123 69 57 55 81 43 67 97 41 71 96 109 124 111 79 56 110 0.998 39.94 540.5 80 99 100 99 278 57.0 0.308 -0.142 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8920 1921.7 7.7 scans 69% 58 m/z 0.30% 0.183% 6099 1.1 293 163903 9820872 9016964 1-4 14: 58 43 71 59 109 55 95 41 110 124 123 81 250 113 0.939 39.88 553.4 78 99 94 98 250 30.8 1.104 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3111 1973.7 7.9 scans 49% 149 m/z (281) 0.11% 0.102% 6170 1.1 200 423626 5489144 4936495 3-1 15: 149 150 223 104 76 167 205 65 121 50 224 105 122 151 203 0.959 40.31 598.8 75 98 82 98 223 45.9 5.285 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N406_R~1-N1110 Phytol 40.4433 1990.1 9.9 scans 94% 82 m/z (87) 0.027% 4.48% 6193 0.4 1190 1813884 239534832 225618691 3-3 20: 82 95 68 123 57 69 79 83 67 55 71 124 109 278 111 53 137 56 85 125 0.998 40.66 -27.1 96 99 99 99 278 145.4 1.492 -0.219 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6157 2011.5 7.3 scans 22% 221 m/z (69) 1.9% 0.0209% 6221 1.2 94 25828 1121860 1043175 2-3 20: 221 147 281 207 369 295 296 148 223 222 282 297 370 355 371 341 401 327 208 415 0.851 40.63 631.4 71 95 90 98 369 16.0 2.903 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1254 Phytol 40.8760 2043.7 8.7 scans 91% TIC 0.050% 1.78% 6266 0.7 835 989771 95312952 88577712 2-3 0.991 40.87 1.0 99 98 98 99 278 116.0 1.927 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BQLD_R~1-N1056 ?? Homosalate 41.0018 2059.3 >9 scans 19% TIC 3.3% 0.00560% 6287 1.6 89 14874 299464 299464 0-0 0.670 41.00 673.5 66 89 68 97 262 11.3 1.614 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2662 2092.1 8.4 scans 89% 79 m/z 0.051% 1.40% 6332 0.7 744 967564 75329369 71099033 2-2 20: 79 93 67 95 80 91 108 121 55 41 81 77 94 107 87 78 59 105 122 53 0.976 41.26 1.1 98 98 96 99 264 54.4 0.535 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN N406_R~1-N1010 ?? Phytol 41.52min 41.4286 2112.3 8.3 scans 26% 82 m/z (268) 0.56% 0.0768% 6360 0.9 167 88398 4110601 3773831 1-2 8: 82 95 278 96 279 244 259 245 0.768 41.52 718.4 66 95 84 96 278 30.3 3.286 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4587 2116.0 8.0 scans 37% 205 m/z 0.59% 0.119% 6364 0.8 223 84739 6398700 5956686 3-2 17: 205 217 175 189 220 177 232 203 261 91 191 161 176 192 233 115 206 0.615 41.49 -80.6 81 98 65 97 276 17.4 0.612 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0791 2152.5 13.0 scans 95% 74 m/z 0.0097% 6.87% 6470 0.2 1354 5133918 367649330 354670604 1-1 20: 74 87 55 43 270 41 69 239 57 129 83 185 59 97 241 71 213 56 157 98 0.997 42.01 750.5 79 99 99 99 272 36.0 0.071 0.068 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3235 2166.2 8.8 scans 87% 73 m/z 0.075% 0.630% 6511 1.1 481 663784 33707494 31615913 2-3 20: 73 147 281 221 429 503 207 341 356 222 430 283 504 282 148 415 74 431 295 357 0.980 42.37 757.2 75 92 95 99 503 80.2 2.776 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1234 ?? Thunbergol 45.1695 2327.7 9.7 scans 14% 137 m/z (98) 17% 0.00552% 6993 0.6 40 2849 295535 257369 0-7 15: 137 120 107 108 147 257 93 134 95 121 80 68 177 105 78 0.470 44.90 15.5 67 84 42 77 272 4.6 0.000 0.269 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7941 2363.6 7.9 scans 62% 73 m/z (81) 0.79% 0.0521% 7099 1.2 142 63022 2785838 2615009 2-3 20: 73 355 147 221 281 356 207 429 222 74 205 357 283 339 503 328 133 267 327 297 0.877 45.78 1.0 95 98 88 97 503 14.2 0.993 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1359 2383.3 8.9 scans 87% TIC 0.037% 2.14% 7157 0.6 895 1333307 114541221 107204148 1-3 0.938 46.13 0.1 95 94 92 99 292 69.0 0.595 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7610 2419.3 8.2 scans 77% TIC 0.24% 0.143% 7263 1.1 246 201462 7644912 6961957 3-3 0.920 46.76 924.2 79 99 91 98 298 46.1 3.515 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6902 2472.8 7.0 scans 9.1% 221 m/z (131) 13% 0.00174% 7420 1.3 28 3783 0.00203% 93188 89877 108521 2-0 5: 221 295 369 296 222 0.609 44.32 1025.5 65 96 63 92 369 6.8 0.000 3.370 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9364 2544.5 7.9 scans 55% 73 m/z 2.3% 0.0154% 7631 1.3 79 21503 825541 756811 3-3 19: 73 147 429 221 281 295 431 282 357 207 327 222 74 267 369 223 432 430 75 0.810 48.95 994.1 72 97 81 97 429 23.4 8.669 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP3.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8520 2712.2 9.0 scans 33% 73 m/z 4.3% 0.00698% 8126 1.6 49 11442 373618 328341 8-3 17: 73 357 429 281 355 356 430 283 74 503 504 282 401 223 505 415 149 0.577 51.86 1081.3 68 93 59 90 503 9.4 3.642 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1635 772.7 4.8 scans 91% 77 m/z (43) 0.028% 0.276% 47 2.1 397 1818958 16458960 13500695 1-8 18: 77 45 78 79 62 59 76 75 63 61 47 46 92 60 64 65 80 93 0.999 4.37 18.7 99 100 100 100 77 337.5 72.210 -0.207 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5774 835.5 18.7 scans 61% 207 m/z 0.44% 0.0546% 456 3.5 109 116131 3257139 3000228 2-1 19: 207 208 209 191 133 193 177 134 119 103 75 161 163 37 176 178 115 189 82 0.725 6.53 -141.3 79 100 83 99 207 85.3 61.194 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6801 864.2 9.3 scans 95% TIC 0.15% 0.573% 643 2.1 419 335406 34131789 31972191 1-3 0.994 7.71 8.9 100 100 99 100 98 83.7 3.986 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKSTART-N1002 ? Contamination 12.22min 12.3331 985.3 >9 scans 25% 281 m/z (251) 3.0% 0.00966% 1431 17.9 56 16690 575351 575351 0-0 6: 281 284 125 109 59 142 0.639 12.22 39.0 75 89 39 91 281 32.3 33.779 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6779 994.3 11.7 scans 83% 81 m/z (121) 0.31% 0.117% 1489 2.3 173 162648 7006305 6582124 1-2 16: 81 110 53 67 39 41 82 51 65 50 54 38 40 109 66 52 0.968 13.22 30.7 93 97 96 99 110 49.3 8.078 -0.544 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1022 ? Octanal 12.9341 1001.0 8.2 scans 68% 57 m/z (119) 1.5% 0.0620% 1533 1.4 151 34117 3692706 3370006 3-5 17: 57 41 84 56 43 44 55 69 42 68 85 82 39 100 71 95 99 0.963 12.96 -173.8 77 99 98 99 110 14.5 0.915 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1024 ? p-Cymene 13.7328 1022.7 8.6 scans 53% 119 m/z 0.84% 0.0191% 1668 1.3 87 61009 1140967 1011926 2-5 15: 119 134 91 117 118 115 65 135 104 105 93 64 103 63 116 0.838 13.76 -176.8 78 99 84 98 134 32.7 14.204 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1016 Limonene 13.9093 1027.5 8.5 scans 80% 68 m/z 0.20% 0.263% 1698 1.5 313 255443 15700412 14141328 2-3 20: 68 67 93 79 94 121 136 92 107 53 91 77 39 41 124 81 80 95 123 65 0.896 13.89 52.2 89 99 93 98 136 62.6 4.003 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0888 1032.3 10.9 scans 74% 79 m/z 0.31% 0.135% 1728 1.8 212 163433 8048892 7534851 1-2 20: 79 108 107 77 51 91 50 78 90 89 80 65 109 63 62 52 39 74 53 105 0.947 14.11 53.3 92 100 94 99 108 96.5 20.608 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4512 1042.1 10.0 scans 89% 91 m/z 0.078% 0.269% 1790 1.6 291 655135 16061976 14368877 2-4 20: 91 92 120 65 63 39 89 51 62 50 121 90 64 93 38 74 61 66 52 122 0.978 14.44 57.3 91 100 98 100 120 94.6 10.592 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1803 1061.9 13.9 scans 86% 105 m/z 0.11% 0.352% 1913 2.1 283 460100 20996604 19743008 2-1 20: 105 77 123 51 46 106 50 74 78 124 94 52 75 79 109 38 66 73 49 80 0.974 15.17 64.5 88 98 95 99 123 100.8 12.698 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN 98-86-2 ? Acetophenone 15.2718 1064.4 10.3 scans 26% 120 m/z (111) 0.79% 0.0418% 1928 1.4 117 64758 2494057 2261391 0-2 15: 120 125 43 78 106 91 65 62 89 126 75 42 92 98 67 0.824 15.29 -181.3 71 92 86 97 120 46.4 15.749 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4324 1068.7 9.9 scans 71% 95 m/z (57 99) 0.25% 0.167% 1956 1.8 225 199130 10002923 8948893 2-3 16: 95 81 124 79 53 109 39 65 82 96 66 51 80 63 125 52 0.895 15.43 67.0 83 98 96 100 124 64.3 8.161 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5115 1070.9 >10 scans 48% TIC 1.4% 0.0268% 1969 1.4 130 35610 0.0978% 1601215 1563541 5824725 0-1 0.923 18.83 18.2 67 69 66 72 122 2.2 0.000 -3.319 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.2222 1090.1 9.5 scans 52% 132 m/z 1.5% 0.0225% 2089 1.2 93 34287 1342565 1207155 2-1 18: 132 117 115 91 102 118 133 92 65 134 103 77 39 62 129 75 78 76 0.834 16.25 -184.5 78 100 87 99 132 46.3 24.992 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1002 ? Undecane 16.6107 1101.0 9.1 scans 30% 57 m/z (251) 1.2% 0.0313% 2155 1.0 107 42379 1869285 1750613 1-1 14: 57 55 56 70 84 193 98 99 179 112 223 82 253 285 0.346 16.59 1.0 70 81 45 89 156 21.4 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1016 Nonanal 16.7860 1108.4 8.3 scans 90% TIC 0.11% 0.546% 2185 1.0 470 433558 0.572% 32548679 29252401 34066899 0-4 0.977 16.82 86.0 81 98 97 98 124 29.0 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9660 1116.0 9.2 scans 80% TIC 0.34% 0.100% 2216 1.3 211 149173 0.140% 5981353 5660796 8338052 1-0 0.969 16.97 91.3 81 97 94 99 128 51.4 5.925 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0510 1119.6 10.2 scans 58% 91 m/z (129) 0.43% 0.0606% 2230 1.6 134 118511 3610466 3245773 7-2 12: 91 92 122 65 93 89 63 103 104 62 120 90 0.935 17.05 93.6 79 99 98 99 122 44.4 10.933 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0723 1162.7 9.3 scans 43% 355 m/z 0.69% 0.0433% 2403 1.5 128 74546 2583806 2438416 2-2 20: 355 267 356 357 269 251 193 191 72 162 194 177 205 59 253 155 270 114 119 252 0.631 18.13 -169.0 78 99 55 98 355 68.3 28.431 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.2707 1171.1 10.5 scans 27% 85 m/z (68) 3.0% 0.0194% 2436 0.4 81 16744 1161269 1100845 2-1 16: 85 41 60 73 101 88 87 115 94 45 97 67 98 74 53 89 0.774 19.87 102.8 61 92 70 91 144 0.0 0.000 -1.600 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2707 1171.1 10.5 scans 27% 85 m/z (111) 3.2% 0.0198% 2436 0.4 81 16022 1184172 1122557 2-1 16: 85 41 60 73 101 88 87 115 94 45 97 67 98 74 53 89 0.648 22.03 -138.0 64 95 77 96 175 0.0 0.000 -3.763 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7063 1189.5 8.3 scans 57% 98 m/z 2.1% 0.0256% 2511 0.9 115 24470 1528011 1420826 1-1 20: 98 55 111 69 82 43 41 125 70 97 107 39 95 99 100 126 71 84 83 93 0.865 18.71 138.7 75 97 88 96 153 2.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.8876 1197.2 15.3 scans 19% 122 m/z (55 109) 3.1% 0.0129% 2541 0.8 53 16510 773417 677460 2-3 1: 122 0.707 20.03 126.5 61 90 78 91 122 32.2 36.922 -1.141 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1201 1207.0 9.3 scans 23% 82 m/z 2.8% 0.00577% 2581 1.3 51 18048 343667 312884 2-1 6: 82 81 54 39 121 38 0.873 19.12 149.9 65 90 77 89 97 10.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1012 ?? Nicotine 19.7010 1231.6 >11 scans 4.1% 132 m/z 6.5% 0.000800% 2679 0.5 22 7839 47674 41463 3-0 7: 132 103 133 79 106 102 78 0.408 25.78 76.3 63 100 100 100 162 0.0 0.000 -6.077 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8014 1235.8 9.6 scans 80% 57 m/z 0.11% 0.327% 2696 1.2 341 444896 19475623 17569390 3-4 20: 57 45 41 75 87 56 89 72 101 100 59 85 43 60 71 58 73 44 55 62 0.943 19.81 168.3 78 98 95 100 144 7.4 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3173 1257.6 10.5 scans 37% 57 m/z 2.0% 0.0128% 2783 1.6 74 24798 766651 692919 2-2 16: 57 71 43 85 41 56 70 168 84 98 170 42 113 112 140 100 0.856 20.32 -0.1 88 91 75 88 170 10.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5281 1263.9 8.2 scans 88% 57 m/z (101) 0.27% 0.317% 2819 1.0 365 185182 18893239 17483046 3-2 20: 57 41 43 55 82 70 71 68 83 44 56 112 67 69 81 95 96 84 42 110 0.975 16.82 -27.5 70 72 86 75 124 3.5 0.000 3.713 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1034 ? Decanal 20.5281 1263.9 8.2 scans 86% 57 m/z 0.27% 0.288% 2819 1.0 360 185410 17192358 15909119 3-2 20: 57 41 43 55 82 70 71 68 83 44 56 112 67 69 81 95 96 84 42 110 0.973 20.57 -143.1 71 87 93 99 138 18.9 0.275 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9390 1276.3 11.1 scans 62% 94 m/z (81) 0.24% 0.107% 2889 1.6 176 208094 6381225 5772091 2-2 4: 94 138 45 139 0.979 20.98 191.3 76 98 96 99 152 4.8 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9950 1278.0 9.5 scans 8.8% TIC 0.93% 0.0303% 2898 0.6 105 55007 1805050 1697643 2-1 0.112 32.87 17.7 61 65 17 62 206 0.0 0.000 -11.878 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9962 1278.0 8.6 scans 81% 137 m/z (94) 0.26% 0.255% 2898 1.0 318 193406 15201625 14253957 3-2 15: 137 152 109 123 81 67 91 79 41 93 55 119 53 153 110 0.979 21.00 192.7 63 86 80 85 155 0.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1024 ?? Hexadecane 21.0783 1280.5 8.1 scans 23% 71 m/z (74) 2.9% 0.0110% 2913 1.4 68 17746 655904 618543 1-2 6: 71 85 70 140 113 195 0.752 33.32 13.5 66 73 73 74 226 0.0 0.000 -12.241 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1066 1281.3 7.4 scans 17% 281 m/z 1.0% 0.0135% 2917 1.3 76 50107 804150 691594 2-6 15: 281 282 193 251 249 191 265 283 209 284 267 207 252 177 195 0.789 12.25 128.2 75 97 68 96 281 56.0 53.780 8.856 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1042 ? Phytol 21.2766 1286.4 8.3 scans 46% 56 m/z (285) 3.4% 0.0210% 2946 0.8 92 15101 1252370 1115505 1-2 12: 56 57 70 71 126 67 85 96 111 72 98 127 0.951 35.35 -11.0 78 82 84 83 196 0.0 0.000 -14.070 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4425 1291.4 6.1 scans 3.2% 281 m/z (139) 10% 0.00207% 2974 0.6 31 4979 123787 104687 1-4 4: 281 282 369 148 0.529 21.56 -147.3 64 92 50 94 369 8.4 7.116 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1040 ?? Nonanoic acid 22.7530 1330.7 11.9 scans 46% 73 m/z (119) 1.1% 0.0506% 3196 0.3 121 43360 3018724 2856374 1-1 13: 73 60 57 55 115 98 87 61 45 129 327 158 82 0.771 22.70 -144.6 68 95 82 95 158 9.0 0.553 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8953 1335.0 8.8 scans 57% 69 m/z (57) 0.27% 0.139% 3220 1.4 219 185095 8299674 7446673 4-3 10: 69 109 43 86 110 95 67 128 108 170 0.779 22.91 221.4 69 96 83 94 127 27.2 1.532 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8345 1363.2 9.3 scans 44% 57 m/z (112) 0.76% 0.0562% 3379 1.1 135 67475 3351018 3145561 1-2 13: 57 71 85 41 56 70 184 42 128 98 185 86 141 0.676 23.86 -0.8 89 97 84 95 184 16.8 1.551 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0819 1371.3 7.4 scans 50% 73 m/z 0.27% 0.103% 3421 1.1 223 186055 6186551 5751242 2-4 17: 73 341 429 342 325 147 343 430 431 326 74 68 327 207 45 432 44 0.734 24.17 -152.5 78 99 87 98 429 71.3 10.269 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5412 1386.7 7.6 scans 79% TIC 0.39% 0.0761% 3499 1.5 201 130012 0.0868% 4534315 4361525 5169592 1-0 0.929 24.54 249.4 78 99 93 98 169 22.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1917 1408.4 7.9 scans 44% 43 m/z (71) 0.34% 0.0442% 3609 1.3 129 150567 2634216 2325400 5-4 10: 43 145 103 116 86 73 74 61 146 158 0.901 25.24 -151.5 74 99 92 99 145 48.3 14.022 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1004 ?? Nicotine 25.4231 1416.1 12.0 scans 57% 84 m/z (71) 0.23% 0.152% 3648 2.3 197 223064 9104360 8214365 5-2 19: 84 133 162 161 42 119 92 118 130 134 120 117 82 65 78 163 64 132 105 0.833 25.89 259.1 69 92 83 91 162 52.8 7.163 -0.469 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0878 1471.8 6.6 scans 44% 221 m/z 1.4% 0.0180% 3930 1.0 100 35147 1077011 1035895 1-2 19: 221 73 147 281 222 355 267 282 357 223 148 443 356 268 283 74 149 323 269 0.898 27.12 296.9 75 96 84 95 355 20.1 4.020 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1723 1474.6 8.1 scans 73% 57 m/z (110) 0.36% 0.0938% 3944 1.0 199 139568 0.160% 5590859 5238053 9529202 2-0 20: 57 71 85 43 41 56 99 55 198 70 84 42 98 112 126 69 163 72 154 141 0.981 27.21 -1.2 94 96 96 98 198 24.3 1.489 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 27.9727 1504.5 9.4 scans 94% 161 m/z 0.055% 2.16% 4080 0.7 913 924519 129218759 121557587 2-2 20: 161 119 91 93 69 189 148 120 41 133 81 107 92 109 55 135 67 137 106 162 0.994 45.98 24.8 78 78 81 80 204 180.3 3.897 -18.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6599 1530.3 8.3 scans 84% 43 m/z (127) 0.074% 0.559% 4197 0.9 463 695836 33331400 29065550 7-12 20: 43 69 41 151 136 107 67 125 93 109 83 121 81 53 68 39 108 79 91 55 0.996 28.67 332.9 78 99 99 99 194 29.1 0.396 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0932 1546.6 7.8 scans 76% 71 m/z 0.11% 0.353% 4270 1.1 425 458398 0.490% 21049743 19164126 29183182 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 177 97 84 69 183 220 42 127 0.953 29.09 342.9 72 94 90 93 220 41.9 0.975 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5123 1562.4 8.2 scans 89% 281 m/z 0.018% 2.65% 4341 0.7 1085 2790273 158056266 149377672 2-2 20: 281 73 147 327 415 341 503 283 399 328 221 416 504 148 329 325 342 74 505 207 0.991 29.61 -150.7 79 98 96 99 503 188.8 3.029 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7603 1571.7 7.9 scans 65% 123 m/z 0.043% 0.308% 4383 0.9 378 1185259 18358249 17301917 1-2 16: 123 135 124 107 95 109 79 91 77 81 53 125 93 193 136 165 0.931 29.77 357.7 78 98 89 98 193 33.2 0.768 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9462 1578.7 9.2 scans 74% TIC 0.069% 0.594% 4414 0.7 479 746252 35387781 32673682 2-1 0.872 29.94 362.3 75 98 87 97 254 14.2 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1682 1587.0 8.0 scans 67% 57 m/z 0.25% 0.143% 4452 1.1 273 199241 0.229% 8533747 8224328 13638671 1-0 20: 57 85 71 43 41 99 55 84 113 56 70 127 69 155 98 83 183 86 112 97 0.931 30.38 -7.9 81 83 90 84 212 3.4 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4923 1599.7 8.1 scans 81% 191 m/z 0.034% 0.437% 4507 0.9 450 1509177 26060851 24739925 2-7 20: 191 206 192 57 163 74 91 175 115 41 107 207 73 88 77 147 128 161 133 105 0.965 30.50 374.9 80 99 95 99 206 123.0 7.463 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8175 1613.4 8.3 scans 20% 124 m/z (71) 1.7% 0.0193% 4562 1.1 88 30150 1150771 1046584 2-6 4: 124 137 180 138 0.875 30.81 384.0 70 94 85 94 180 24.7 7.827 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8713 1615.7 9.5 scans 49% 162 m/z (139) 0.62% 0.0696% 4571 1.0 160 82452 4148623 3885129 1-2 17: 162 147 161 163 145 103 105 148 77 63 51 115 133 131 104 155 118 0.834 30.88 -0.3 87 92 80 93 204 17.6 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2060 1629.7 10.0 scans 62% 111 m/z 0.080% 0.476% 4628 0.7 418 638095 28367008 25455450 2-3 20: 111 137 109 180 67 110 43 124 152 95 79 81 77 39 112 341 65 69 93 165 0.866 31.18 394.7 75 96 80 97 180 99.8 5.702 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2060 1629.7 10.0 scans 73% 111 m/z (71) 0.079% 0.618% 4628 0.7 456 648257 36852642 33070128 2-3 20: 111 137 109 180 67 110 43 124 152 95 79 81 77 39 112 341 65 69 93 165 0.969 31.20 394.3 74 96 94 96 180 100.6 4.868 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5070 1642.4 10.8 scans 52% 43 m/z (71 165) 0.65% 0.0832% 4679 1.5 167 79048 4957828 4701182 1-1 19: 43 85 98 41 55 84 183 127 166 99 56 169 192 68 107 141 82 69 67 0.893 31.52 -0.3 78 82 81 89 166 23.5 1.991 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7839 1654.0 8.9 scans 9.4% 193 m/z (57) 2.2% 0.00666% 4726 0.8 50 22602 396881 364080 4-3 3: 193 194 209 0.616 31.80 -0.5 63 74 32 74 208 13.2 6.888 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9167 1659.6 7.8 scans 61% 71 m/z (159) 0.66% 0.0862% 4748 0.6 184 77318 5137793 4484927 3-1 19: 71 57 85 43 83 55 99 82 113 70 84 155 127 56 111 112 126 169 42 0.966 31.92 -0.1 77 82 89 87 219 5.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0401 1664.8 6.8 scans 25% 221 m/z 0.75% 0.0326% 4769 1.0 132 68353 1944332 1769252 2-2 12: 221 73 147 295 222 207 355 341 281 325 296 267 0.490 32.08 -1.6 92 98 84 97 355 23.9 3.246 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2332 1672.9 9.1 scans 46% 57 m/z 0.35% 0.116% 4802 1.5 206 146073 6919180 6452560 1-1 20: 57 43 71 85 41 183 55 56 99 113 69 105 182 70 42 83 141 211 97 58 0.785 32.24 -0.2 88 92 78 89 226 10.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4309 1681.2 12.4 scans 51% 57 m/z (200) 0.76% 0.0878% 4835 1.1 157 67542 0.109% 5230629 4719281 6491769 2-1 19: 57 85 197 43 196 110 113 77 84 69 140 83 111 97 93 198 39 96 42 0.799 32.44 -0.5 77 87 78 89 226 5.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6606 1690.9 9.3 scans 64% 205 m/z (161) 1.6% 0.114% 4874 1.1 203 31379 6842906 6164627 1-3 15: 205 119 91 105 93 107 79 159 77 135 106 149 120 133 134 0.911 32.67 -0.6 91 96 90 96 220 20.3 0.996 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9309 1702.2 7.8 scans 77% 71 m/z 0.048% 0.312% 4920 0.9 379 1072282 18631214 16831309 7-2 18: 71 43 159 111 56 41 243 72 155 83 69 173 143 89 98 73 44 42 0.962 32.93 -0.1 94 93 87 98 243 58.9 2.417 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1212 ? Hexadecene 33.0856 1708.7 7.6 scans 37% 57 m/z (159) 2.6% 0.0335% 4946 1.0 124 19646 1996875 1883819 1-1 20: 57 83 97 111 55 43 69 56 70 167 84 41 96 127 82 180 67 42 112 58 0.910 33.09 0.0 75 74 88 96 224 6.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3070 1718.0 7.3 scans 61% 57 m/z 0.32% 0.0873% 4984 0.9 220 158494 5202863 4787096 5-1 19: 57 71 85 43 41 55 99 56 70 69 226 113 42 84 98 112 127 72 168 0.918 33.37 -2.8 93 98 91 97 226 26.0 1.393 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8908 1728.2 7.7 scans 47% TIC 0.79% 0.0307% 5083 0.8 153 64768 0.0441% 1828765 1751963 2626486 1-1 0.833 33.90 -0.1 92 99 89 97 197 29.8 3.803 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2692 1733.6 7.9 scans 14% 57 m/z (216) 2.5% 0.00886% 5147 1.2 66 20427 527871 502548 0-1 18: 57 71 43 91 85 220 98 41 210 183 78 182 169 97 70 162 141 93 0.836 34.27 0.0 74 81 68 81 211 14.7 4.929 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3873 1735.3 22.9 scans 88% TIC 0.010% 10.0% 5167 0.9 1388 5087744 11.2% 597164030 578061837 667044171 2-0 0.993 34.39 452.3 80 99 97 99 415 171.3 1.524 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8294 1741.6 15.6 scans 88% 91 m/z 0.032% 1.44% 5241 0.2 598 1572883 85966431 82061413 1-1 20: 91 155 199 90 65 184 89 120 44 137 63 77 106 39 134 200 109 78 62 154 0.989 34.79 452.6 80 99 98 99 199 168.7 7.947 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9038 1742.7 7.8 scans 22% 68 m/z (71) 1.8% 0.0309% 5254 1.3 110 28124 1843264 1613875 5-2 2: 68 224 0.892 34.90 -0.0 85 92 85 95 224 14.8 1.811 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N407_R~1-N1122 ?? Longipinocarvone 35.0614 1745.0 11.7 scans 10% TIC 1.1% 0.0349% 5281 1.9 118 46458 2080475 1961088 1-1 0.154 32.60 488.8 66 91 14 88 218 49.7 0.000 2.465 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9292 1757.4 9.1 scans 49% 91 m/z (85) 0.40% 0.157% 5428 1.2 239 126521 9400632 8552961 2-4 15: 91 155 184 65 159 92 44 199 220 93 105 119 89 109 187 0.882 35.94 451.0 67 94 82 95 238 6.6 0.075 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2102 1775.7 8.2 scans 80% 209 m/z 0.037% 0.762% 5645 0.9 577 1357733 45427733 42328659 2-2 20: 209 224 181 165 167 178 105 166 179 91 225 77 194 152 115 193 97 119 182 89 0.963 37.20 449.4 80 99 98 99 224 179.7 9.708 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1016 Octadecane 37.3006 1777.0 8.7 scans 62% 71 m/z (216) 0.38% 0.152% 5660 1.1 233 132364 0.231% 9089311 8025971 13757786 0-6 20: 71 85 57 43 99 113 127 69 41 55 84 169 70 155 141 56 126 111 112 72 0.989 38.91 -23.0 81 85 94 84 254 4.1 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0556 1787.8 8.8 scans 56% 57 m/z (117) 0.54% 0.0876% 5788 1.0 183 94986 5221675 4749130 1-1 20: 57 71 85 43 56 225 41 99 55 141 224 127 69 239 112 70 155 226 179 58 0.945 38.06 448.1 74 98 97 99 225 32.2 3.105 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.5881 1795.4 13.8 scans 91% TIC 0.011% 6.80% 5878 0.5 1373 4323568 405093223 397956702 2-1 0.950 38.59 447.3 79 99 94 98 429 405.7 8.738 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.5963 1795.5 13.6 scans 56% 73 m/z (429) 0.017% 4.18% 5880 0.3 1071 2949283 248993626 243297555 2-1 20: 73 221 147 281 222 295 74 267 208 133 131 283 75 402 145 189 344 328 489 193 0.924 32.10 546.7 64 88 88 86 355 225.9 0.000 6.494 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4429 1866.1 7.9 scans 44% 87 m/z (123) 1.2% 0.0417% 6023 1.1 135 40207 2485280 2328466 2-3 15: 87 102 73 60 143 211 91 75 229 157 213 228 59 129 61 0.895 39.45 504.6 63 88 84 96 256 15.2 1.273 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.7935 1909.5 9.2 scans 94% 68 m/z 0.037% 2.65% 6082 0.5 1031 1364255 158069385 149865369 2-1 20: 68 95 82 123 69 57 81 55 43 83 67 41 97 71 96 109 124 111 79 56 0.996 39.94 540.4 80 99 99 99 278 57.0 0.306 -0.142 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8933 1921.9 7.5 scans 67% 58 m/z (225) 0.39% 0.160% 6099 1.2 267 131206 9587373 8661602 1-6 7: 58 43 59 109 110 124 250 0.983 39.88 553.6 76 98 99 99 250 25.9 0.938 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3095 1973.5 >9 scans 45% TIC 0.15% 0.0578% 6170 0.5 173 334245 3447181 3152285 2-0 0.768 40.31 598.6 76 99 77 97 223 43.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N406_R~1-N1110 Phytol 40.4565 1991.7 11.9 scans 94% 81 m/z 0.023% 5.13% 6195 0.3 1278 2146816 305988699 293043864 2-2 20: 81 82 95 68 123 57 43 79 69 83 55 67 96 41 124 109 71 97 278 111 0.997 40.66 -25.5 98 99 99 99 278 155.6 1.482 -0.206 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6058 2010.2 6.9 scans 20% 221 m/z (279) 1.7% 0.0194% 6220 0.9 97 29636 1159908 1072266 3-4 16: 221 73 147 295 281 207 222 369 296 297 223 148 327 370 205 74 0.887 40.63 630.1 72 98 92 98 369 16.6 2.899 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1254 Phytol 40.8821 2044.5 9.1 scans 78% TIC 0.042% 1.88% 6267 0.7 885 1213980 112451759 108033430 2-1 0.834 40.87 1.8 98 98 83 98 278 138.1 2.434 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0025 2059.4 8.2 scans 45% 138 m/z 0.68% 0.0567% 6287 1.0 174 75222 3378348 3244537 1-1 17: 138 109 120 69 121 124 83 65 139 262 92 82 81 93 68 67 39 0.919 41.00 673.6 79 100 94 99 262 22.3 1.640 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2487 2090.0 8.6 scans 43% TIC 0.78% 0.0518% 6329 1.1 174 65809 3090682 2868734 1-1 0.674 41.26 -1.0 92 96 74 93 264 13.5 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N406_R~1-N1010 ? Phytol 41.52min 41.4270 2112.1 8.2 scans 43% 82 m/z (120) 0.29% 0.154% 6359 0.9 250 174186 9200972 8168343 3-3 14: 82 95 96 67 123 81 79 278 107 53 137 124 279 80 0.809 41.52 718.2 74 99 96 98 278 41.5 2.761 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4429 2114.0 8.0 scans 29% 205 m/z 0.62% 0.0977% 6361 1.0 211 83004 5819687 5479393 3-2 19: 205 217 175 189 220 177 232 91 191 203 161 133 135 233 221 192 163 115 190 0.545 41.49 -82.6 81 98 60 96 276 17.2 0.663 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8384 2139.0 9.7 scans 44% 71 m/z (154) 1.6% 0.0475% 6429 0.9 134 30978 2832299 2542037 1-1 19: 71 57 85 43 84 70 156 69 99 41 55 253 127 125 126 272 121 141 56 0.892 41.48 20.0 68 72 85 78 268 2.0 0.000 0.355 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0114 2148.7 8.7 scans 88% 74 m/z 0.032% 1.09% 6458 0.7 688 1579997 65478673 61800988 2-2 20: 74 87 143 43 55 75 41 227 270 69 57 129 239 83 59 97 101 88 185 171 0.963 42.01 746.7 80 99 96 99 272 18.1 0.069 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3113 2165.5 9.5 scans 92% TIC 0.052% 0.910% 6509 1.3 590 980956 54210196 51730137 1-6 0.987 42.37 756.5 73 90 94 99 503 98.7 2.795 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1234 ? Thunbergol 45.1579 2327.0 9.2 scans 17% TIC 5.5% 0.00597% 6991 1.4 57 9237 0.00741% 355558 339732 441321 1-0 0.301 44.90 14.8 79 87 29 82 272 7.3 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7883 2363.3 7.8 scans 62% 73 m/z (81) 0.69% 0.0539% 7098 1.0 153 74038 3213958 2915338 2-2 20: 73 355 147 221 281 356 357 207 282 429 341 222 265 148 399 415 283 74 295 401 0.868 45.78 0.7 95 98 89 97 503 14.7 0.927 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9111 2370.4 >8 scans 51% TIC 0.96% 0.0210% 7119 0.9 122 53144 0.0578% 1253804 1160506 3442424 1-0 0.874 45.92 891.7 75 96 85 96 298 20.9 2.924 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0959 2381.0 8.0 scans 71% 79 m/z (70) 0.64% 0.101% 7150 1.3 207 79706 6064890 5809943 1-6 19: 79 95 93 67 80 108 81 91 41 94 107 77 121 135 78 59 149 105 122 0.942 46.13 -2.2 93 97 93 97 292 15.8 0.582 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N407_R~1-N1150 ?? UNK 46.46min 46.3905 2397.9 8.8 scans 16% 191 m/z (177) 2.3% 0.0139% 7200 1.1 72 22108 830040 725096 8-4 6: 191 218 192 217 235 236 0.381 46.47 908.6 60 87 52 93 235 12.5 3.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4241 2399.9 8.5 scans 18% 177 m/z (191) 2.6% 0.0118% 7206 0.9 68 19538 706428 659282 4-4 3: 177 195 178 0.833 46.49 -4.1 83 88 58 86 290 12.6 3.373 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN HCMIX_~1-N1022 ? Henicosane 46.6142 2410.8 7.9 scans 43% 85 m/z (177) 3.0% 0.0172% 7238 1.1 85 16966 1030078 923113 5-0 16: 85 57 113 141 112 72 197 86 70 84 126 41 56 110 98 42 0.830 46.28 19.1 70 82 84 79 296 0.0 0.000 0.332 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7576 2419.1 8.9 scans 53% TIC 0.78% 0.0349% 7262 0.9 129 65731 2080161 1908175 1-3 0.823 46.76 924.0 76 97 78 95 298 24.7 3.643 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2630 2448.2 7.7 scans 10% 134 m/z (117) 13% 0.00195% 7348 0.8 29 3955 116200 106172 2-0 1: 134 0.481 47.36 -5.3 76 88 39 81 272 4.7 0.000 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5003 2461.8 7.7 scans 56% 138 m/z (141) 1.7% 0.0227% 7388 1.2 99 30039 1357410 1266746 2-6 8: 138 120 121 306 139 92 65 168 0.862 47.50 949.0 75 99 90 98 168 11.8 1.425 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6904 2472.8 6.8 scans 19% 221 m/z (129) 9.1% 0.00324% 7420 0.9 39 5604 193097 173552 1-4 13: 221 73 296 207 147 295 281 222 137 148 355 297 282 0.653 44.32 1025.5 66 99 75 97 369 9.0 5.256 3.370 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN TAB_REP1-N1222 ?? Sclareol 47.9min 47.9094 2485.4 9.2 scans 12% 134 m/z (83) 14% 0.00204% 7457 1.1 29 3460 121889 117534 0-5 2: 134 148 0.446 47.95 -2.2 66 81 38 78 272 3.5 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN N407_R~1-N1154 ? UNK 48.48min 48.4336 2515.6 8.6 scans 34% 148 m/z (213) 3.2% 0.00789% 7546 1.2 56 15622 470417 440430 1-2 13: 148 95 177 162 96 178 109 133 149 108 147 135 107 0.670 48.48 977.4 70 94 67 92 286 6.8 1.496 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9354 2544.4 7.8 scans 40% 73 m/z 3.4% 0.00719% 7631 1.3 57 14924 428409 385303 5-4 17: 73 221 430 295 355 147 281 431 148 356 282 207 429 341 222 149 223 0.692 48.95 994.0 72 98 67 96 429 18.2 10.128 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3528 2626.0 8.0 scans 37% 74 m/z 3.3% 0.00683% 7871 1.1 56 15229 407046 374352 3-6 13: 74 87 143 326 43 75 199 283 129 88 101 185 227 0.602 50.36 1039.0 69 92 55 89 326 13.9 6.304 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8516 2712.2 7.8 scans 37% 73 m/z 4.6% 0.00495% 8125 1.2 48 11122 295142 286258 1-5 18: 73 147 355 503 429 222 281 221 356 148 267 295 401 431 341 504 430 415 0.646 51.86 1081.3 67 90 60 87 503 8.4 3.108 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6268 2871.9 8.1 scans 39% 73 m/z (85) 5.6% 0.00595% 8595 1.2 48 9165 354526 307223 2-8 16: 73 147 221 429 355 357 281 222 356 503 431 295 327 283 504 223 0.652 45.81 1395.4 68 97 68 94 503 7.1 2.190 8.815 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1598 772.6 4.8 scans 94% 77 m/z 0.029% 0.283% 46 2.5 354 1480260 12817600 11673450 0-6 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 65 48 0.995 4.37 18.6 100 100 99 100 77 303.6 73.350 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.2396 826.7 13.9 scans 43% 57 m/z 0.79% 0.0292% 398 0.5 80 54363 1318473 1215431 1-6 8: 57 41 39 87 53 102 40 38 0.732 6.03 -134.9 68 92 80 91 102 9.4 0.000 0.207 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5967 836.0 19.1 scans 72% 207 m/z 0.43% 0.0673% 459 2.5 104 99268 3039733 2822205 2-1 20: 207 96 209 191 193 133 208 161 192 177 210 103 117 211 147 179 176 39 67 149 0.844 6.53 -140.8 80 100 86 99 207 78.6 57.472 0.069 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6847 864.3 8.6 scans 93% 69 m/z (109) 0.30% 0.247% 644 1.6 269 140199 0.318% 11161013 10792388 14357873 1-0 20: 69 55 41 83 42 39 57 98 70 97 43 80 56 53 40 79 54 68 51 38 0.995 7.71 9.0 99 100 99 100 98 55.5 4.266 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2361 982.8 9.9 scans 51% 281 m/z (60) 0.43% 0.0761% 1414 2.1 130 100664 3437250 3131899 1-3 20: 281 43 282 99 71 108 283 55 191 39 125 265 93 133 193 58 56 163 284 111 0.818 12.22 36.5 90 97 69 99 281 79.2 37.145 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6824 994.4 20.7 scans 77% TIC 0.28% 0.105% 1490 1.1 169 153606 0.157% 4783936 4399447 7088636 4-0 0.969 13.22 30.8 94 95 93 99 110 48.2 8.124 -0.540 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9398 1001.2 7.8 scans 49% 84 m/z (45) 3.0% 0.0274% 1533 1.5 90 14405 1239188 1090739 2-5 11: 84 57 56 41 44 55 69 85 42 68 99 0.936 12.96 -173.6 67 93 85 92 110 6.7 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1024 ? p-Cymene 13.7397 1022.9 8.6 scans 36% 119 m/z (59) 2.5% 0.00746% 1669 1.1 46 17190 337023 305508 1-4 7: 119 134 91 115 117 120 135 0.758 13.76 -176.6 74 99 78 98 134 17.9 15.380 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1016 Limonene 13.9121 1027.5 8.3 scans 80% TIC 0.29% 0.194% 1698 1.3 244 145062 8779938 7939411 1-7 0.885 13.89 52.2 90 100 94 99 136 48.8 3.980 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0945 1032.5 10.2 scans 72% 108 m/z 0.45% 0.0980% 1730 1.6 160 94628 4426615 4115302 1-4 19: 108 79 107 77 51 91 80 78 50 65 52 109 63 39 53 62 74 105 66 0.936 14.11 53.5 91 99 92 99 108 74.8 21.787 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4528 1042.2 9.5 scans 89% 91 m/z 0.084% 0.257% 1790 1.5 255 512492 11646810 10600607 2-5 19: 91 92 120 65 63 89 39 51 62 50 90 64 93 66 38 52 61 86 74 0.968 14.44 57.4 91 100 98 100 120 84.6 11.039 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1825 1061.9 11.5 scans 90% TIC 0.087% 0.422% 1913 1.9 291 494385 19091162 17689785 2-1 0.976 15.17 64.5 89 99 98 99 123 104.1 12.790 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN 98-86-2 ? Acetophenone 15.2775 1064.5 10.0 scans 32% 120 m/z (122) 0.75% 0.0455% 1929 1.5 102 57395 2057346 1840016 2-1 3: 120 96 125 0.856 15.29 -181.2 73 96 91 99 120 37.7 13.616 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4340 1068.8 9.0 scans 76% 95 m/z (99) 0.18% 0.211% 1956 1.6 236 228307 9548654 8943967 1-4 17: 95 81 124 43 79 53 109 39 65 82 96 66 51 63 80 50 125 0.885 15.43 67.1 85 98 95 100 124 69.1 8.604 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5266 1071.3 7.9 scans 30% 69 m/z (79) 3.4% 0.0165% 1972 0.9 73 12403 0.0261% 745527 708062 1178429 1-1 9: 69 84 70 55 83 41 57 42 94 0.820 18.83 18.6 64 72 72 72 122 1.9 0.000 -3.303 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2197 1090.0 8.8 scans 41% 132 m/z 3.1% 0.00890% 2089 1.1 54 13625 401952 387360 1-1 15: 132 117 115 92 91 89 64 116 65 129 118 51 128 62 130 0.752 16.25 -184.6 75 97 72 96 132 29.1 29.532 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1002 Undecane 16.6105 1101.0 10.0 scans 49% TIC 1.8% 0.0236% 2155 1.1 88 23656 1066383 1011267 2-0 0.715 16.59 1.0 84 97 86 95 156 10.8 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1016 Nonanal 16.7835 1108.3 8.3 scans 88% 57 m/z (154) 0.24% 0.330% 2185 1.1 306 177005 14929707 12880979 6-5 20: 57 41 56 55 43 98 70 69 44 82 68 95 96 81 67 39 42 71 54 114 0.985 16.82 85.9 81 99 98 100 124 20.7 0.456 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9670 1116.1 8.6 scans 66% 71 m/z 0.35% 0.102% 2216 1.3 179 123380 4645669 4219730 2-5 19: 71 95 43 110 58 128 41 85 84 55 57 69 72 70 113 129 59 56 42 0.874 16.97 91.4 79 98 88 97 128 47.4 7.055 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0562 1119.8 10.0 scans 36% 91 m/z (152) 1.1% 0.0239% 2231 1.4 75 37712 1079828 973330 5-3 9: 91 92 122 93 134 136 104 89 117 0.839 17.05 93.8 74 97 90 97 122 25.0 11.080 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0804 1163.1 >20 scans 50% TIC 0.46% 0.109% 2404 1.6 137 93623 4923186 4395187 2-1 0.916 18.13 -168.6 79 99 88 99 355 57.7 17.674 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN M4942-N1002 ?? Pyranone 18.1365 1165.5 10.1 scans 17% 144 m/z (134) 2.1% 0.0237% 2414 1.2 74 19729 1072050 946148 2-4 3: 144 44 72 0.839 20.04 -225.0 66 92 80 92 144 33.7 20.871 -1.906 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1004 ? Octanoic acid 18.4464 1178.6 15.5 scans 71% 60 m/z (123) 1.1% 0.112% 2466 0.2 142 39194 5091901 4712731 1-2 20: 60 69 85 101 97 73 55 41 115 87 43 56 57 88 83 108 39 45 98 70 0.958 19.87 110.3 74 96 90 98 144 0.0 0.000 -1.425 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1266 ? Octanoic acid 18.4464 1178.6 15.5 scans 66% 60 m/z 1.1% 0.0884% 2466 0.2 137 39346 3992436 3695138 1-2 20: 60 69 85 101 97 73 55 41 115 87 43 56 57 88 83 108 39 45 98 70 0.922 22.03 -130.5 76 97 92 97 175 0.0 0.000 -3.588 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7091 1189.6 8.2 scans 49% 98 m/z 2.5% 0.0187% 2511 1.0 87 16909 846669 846669 0-0 20: 98 69 111 82 55 43 41 67 39 70 126 97 83 95 107 96 71 110 54 100 0.756 18.71 138.8 72 96 74 94 153 2.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.9706 1200.7 >8 scans 36% 122 m/z (133) 1.3% 0.0205% 2555 4.0 79 31645 0.0417% 929170 836632 1882778 0-1 10: 122 105 77 63 93 86 108 49 106 150 0.865 20.03 130.0 69 92 84 94 122 36.8 21.685 -1.058 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1277 1207.3 9.2 scans 21% 82 m/z (152) 3.4% 0.00668% 2581 1.4 43 12697 301881 268764 1-0 4: 82 81 54 43 0.859 19.12 150.2 69 97 84 95 97 7.9 3.269 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1012 ?? Nicotine 19.7127 1232.0 8.7 scans 5.3% 133 m/z 4.9% 0.00148% 2681 1.3 23 8807 67059 66639 1-0 3: 133 79 106 0.455 25.78 76.7 63 100 100 100 162 0.0 0.000 -6.065 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8048 1235.9 9.5 scans 82% 57 m/z 0.18% 0.234% 2697 1.5 252 236554 10607963 9898798 4-4 20: 57 45 75 41 87 56 89 101 72 100 59 43 85 71 73 44 60 58 62 55 0.965 19.81 168.4 78 97 94 100 144 6.3 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 11.3 scans 34% 57 m/z (109) 3.3% 0.0129% 2783 1.9 56 12861 583610 526718 4-1 8: 57 71 43 98 70 56 170 126 0.834 20.32 -0.2 85 95 83 93 170 8.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5273 1263.9 8.2 scans 87% 57 m/z (87) 0.50% 0.195% 2819 1.0 247 85975 8837615 8076938 5-2 20: 57 41 43 55 82 70 71 68 83 69 56 67 44 112 81 96 95 84 42 39 0.991 16.82 -27.5 70 73 86 75 124 2.8 0.000 3.712 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1034 ? Decanal 20.5273 1263.9 8.2 scans 84% 57 m/z 0.50% 0.173% 2819 1.0 242 86475 7825535 7151971 5-2 20: 57 41 43 55 82 70 71 68 83 69 56 67 44 112 81 96 95 84 42 39 0.959 20.57 -143.1 75 92 95 99 138 12.9 0.283 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 20.7705 1271.2 8.4 scans 32% 57 m/z (45) 2.0% 0.0140% 2860 0.8 67 21336 633816 582197 2-1 13: 57 71 70 112 41 113 56 80 135 93 117 121 94 0.854 33.32 4.2 61 65 77 76 226 0.0 0.000 -12.548 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9406 1276.3 11.6 scans 54% 94 m/z (81) 0.46% 0.0622% 2889 1.8 115 93628 2810578 2639290 3-2 4: 94 138 66 139 0.943 20.98 191.3 76 98 93 99 152 4.3 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9966 1278.0 8.6 scans 83% 137 m/z (94) 0.28% 0.255% 2898 1.0 276 151673 11533920 10804629 3-2 18: 137 152 109 123 81 67 91 79 41 93 119 55 39 107 53 153 43 65 0.983 21.00 192.7 63 85 80 85 155 0.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1106 1281.4 7.8 scans 23% 281 m/z 0.97% 0.0170% 2918 1.5 73 44493 768742 697580 2-3 15: 281 282 283 193 249 207 126 267 251 265 194 179 266 284 252 0.765 12.25 128.3 75 97 70 96 281 52.6 51.468 8.860 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1042 ? Phytol 21.2776 1286.4 9.0 scans 45% 56 m/z (135) 3.4% 0.0225% 2946 0.8 80 12390 1018001 900011 4-4 4: 56 57 70 71 0.906 35.35 -11.0 77 85 82 85 196 0.0 0.000 -14.069 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1040 ?? Nonanoic acid 22.8692 1334.2 17.4 scans 35% 60 m/z (69) 0.51% 0.163% 3216 0.3 178 84867 0.228% 7361630 7215969 10294324 1-1 20: 60 73 57 115 129 98 61 87 45 158 121 103 136 96 141 131 116 107 77 59 0.769 22.70 -141.1 66 93 79 95 158 13.1 0.543 0.173 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9022 1335.2 9.1 scans 53% 69 m/z (85) 0.22% 0.185% 3221 1.0 220 194056 8396647 7511663 5-4 12: 69 109 43 86 110 128 95 67 127 108 137 170 0.746 22.91 221.6 73 98 80 97 127 32.3 2.151 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.2411 1345.4 >11 scans 52% TIC 2.1% 0.0102% 3279 1.0 78 20594 0.0220% 464812 464812 993312 0-0 0.890 23.86 -18.6 73 77 78 76 184 0.0 0.000 -0.621 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0817 1371.3 7.3 scans 53% 341 m/z 0.34% 0.0918% 3421 1.1 185 125361 4149292 3870108 2-3 17: 341 73 429 342 325 343 147 430 431 326 344 82 74 207 327 251 45 0.804 24.17 -152.5 78 99 85 98 429 60.1 10.566 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5410 1386.7 7.8 scans 68% 71 m/z 0.61% 0.0558% 3499 1.3 143 70135 2522960 2341041 1-3 19: 71 57 85 43 55 70 84 41 127 99 113 56 155 42 169 112 126 86 72 0.878 24.54 249.4 77 99 88 97 169 16.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6750 1391.2 8.3 scans 58% 43 m/z (84) 1.3% 0.0406% 3522 1.2 104 32503 1837576 1436458 1-5 17: 43 83 69 142 82 41 58 56 55 113 111 143 39 81 100 68 70 0.950 24.70 251.6 67 88 85 95 170 4.4 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4176 1416.0 12.9 scans 77% 84 m/z 0.11% 0.335% 3647 2.1 260 389043 15151347 14174932 2-2 20: 84 133 162 42 119 92 130 85 82 134 65 105 51 78 50 163 39 77 104 93 0.907 25.89 259.0 75 95 83 94 162 70.8 7.437 -0.474 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0847 1471.6 6.9 scans 27% 221 m/z 2.0% 0.0129% 3930 1.0 71 21110 583443 552483 1-4 20: 221 73 147 281 222 355 267 282 223 283 148 443 357 207 205 269 268 356 339 323 0.801 27.12 296.7 73 94 74 93 355 15.5 4.704 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1697 1474.5 8.0 scans 71% 57 m/z (163) 0.41% 0.0918% 3944 0.9 172 104347 0.152% 4148249 3896135 6862883 2-0 18: 57 71 85 43 41 198 56 99 55 141 70 42 126 112 98 127 44 72 0.986 27.21 -1.3 95 96 96 97 198 21.6 1.580 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8362 1499.4 8.2 scans 45% 71 m/z 0.58% 0.0817% 4057 1.0 166 74322 3692719 3452406 2-1 19: 71 57 43 85 70 41 169 55 168 99 107 56 113 69 153 140 133 127 39 0.675 27.84 314.1 63 93 66 90 212 8.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 27.9525 1503.8 8.5 scans 85% 161 m/z 0.28% 0.408% 4077 0.9 366 151288 18463703 17073713 1-2 20: 161 119 93 91 204 105 79 69 189 148 120 41 81 133 77 107 92 109 122 123 0.973 45.98 24.1 78 78 78 80 204 73.4 4.012 -18.022 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3734 1519.6 8.6 scans 23% 171 m/z (132) 2.1% 0.0104% 4148 1.4 55 20478 471974 429816 4-4 2: 171 173 0.655 28.39 326.2 63 95 76 94 171 26.5 22.765 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6585 1530.3 7.7 scans 75% 43 m/z 0.10% 0.357% 4196 0.9 340 401879 16148759 13531278 8-11 19: 43 69 41 151 136 107 67 125 93 109 53 83 121 39 81 68 79 108 91 0.951 28.67 332.9 78 98 93 97 194 23.0 0.458 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0930 1546.6 7.6 scans 79% 71 m/z 0.11% 0.390% 4270 1.1 387 393794 0.516% 17651428 17146066 23297681 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 177 97 69 183 220 42 140 0.948 29.09 342.9 71 93 89 92 220 36.3 0.880 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5063 1562.2 7.7 scans 91% 281 m/z 0.024% 1.98% 4340 0.8 837 1770716 89826340 86579047 2-1 20: 281 73 147 327 282 415 341 503 283 399 221 328 504 416 74 417 342 207 343 400 0.986 29.61 -150.9 79 98 96 99 503 145.2 3.012 -0.108 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7554 1571.5 7.8 scans 70% 123 m/z 0.046% 0.329% 4382 1.1 341 940455 14856150 13870692 1-3 18: 123 135 124 107 95 109 79 91 77 39 81 53 93 67 125 193 165 105 0.953 29.77 357.5 78 98 94 98 193 29.3 0.737 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9413 1578.5 8.7 scans 80% TIC 0.081% 0.577% 4414 0.7 422 534082 26083548 24970665 1-1 0.936 29.94 362.1 78 98 94 98 254 11.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1674 1587.0 7.4 scans 65% TIC 0.30% 0.105% 4452 1.1 230 141382 0.165% 4742695 4575955 7449840 1-0 0.915 30.38 -7.9 80 83 90 82 212 0.0 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4921 1599.7 7.9 scans 80% 191 m/z 0.036% 0.443% 4507 1.0 393 1174491 20030913 18930778 1-7 19: 191 206 192 57 163 74 175 91 115 107 207 88 73 77 128 147 161 133 117 0.966 30.50 374.9 80 99 95 99 206 108.5 7.619 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8191 1613.5 8.5 scans 32% 124 m/z (71) 1.1% 0.0358% 4562 0.9 105 38362 1616855 1529757 1-4 5: 124 137 180 138 201 0.948 30.81 384.1 69 91 85 94 180 28.0 7.110 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8805 1616.1 8.6 scans 48% 162 m/z (183) 0.80% 0.0708% 4572 1.0 149 53589 3200607 3020263 1-1 20: 162 161 134 204 119 91 105 163 148 77 71 103 52 57 133 165 131 189 115 145 0.883 30.88 0.1 86 88 71 94 204 25.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2005 1629.5 9.4 scans 61% 111 m/z 0.084% 0.484% 4627 0.7 374 509882 21855082 20439778 2-2 20: 111 109 137 180 67 110 124 152 95 79 81 77 39 112 165 341 93 65 91 53 0.856 31.18 394.5 76 97 81 97 180 89.1 5.668 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2005 1629.5 9.4 scans 69% 111 m/z (71) 0.085% 0.581% 4627 0.7 397 506444 26238272 24539120 2-2 20: 111 109 137 180 67 110 124 152 95 79 81 77 39 112 165 341 93 65 91 53 0.924 31.20 394.1 74 98 90 98 180 90.1 5.136 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5122 1642.6 10.6 scans 66% 85 m/z (198) 0.45% 0.127% 4680 1.1 180 94234 5754252 5520072 1-1 20: 85 57 127 55 41 98 99 84 167 126 69 83 56 183 39 58 107 81 182 42 0.929 31.52 -0.1 86 92 86 92 166 28.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9148 1659.5 7.8 scans 61% 71 m/z (115) 0.64% 0.114% 4748 0.7 180 67173 5161022 4880793 2-1 19: 71 57 83 85 43 55 69 41 99 113 70 84 127 56 155 112 126 97 42 0.917 31.92 -0.2 78 83 85 88 219 5.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0671 1665.9 7.0 scans 32% 221 m/z 0.77% 0.0346% 4774 1.0 116 56091 1562628 1433044 3-2 20: 221 73 147 295 222 207 341 355 223 325 296 356 148 267 342 208 279 74 343 357 0.832 32.08 -0.5 95 97 82 97 355 22.5 3.766 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2336 1672.9 9.6 scans 57% 57 m/z (121) 0.32% 0.193% 4802 1.6 206 134605 8736737 7935465 2-1 20: 57 71 43 85 41 183 56 99 55 182 113 70 69 42 141 211 162 83 97 58 0.902 32.24 -0.2 90 97 90 95 226 10.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4361 1681.4 10.1 scans 66% 57 m/z (119) 0.40% 0.160% 4836 1.0 199 105927 7252444 6412460 2-2 20: 57 85 71 197 56 43 41 196 55 99 113 168 169 127 141 69 83 111 70 58 0.963 32.44 -0.3 86 90 93 92 226 7.2 0.132 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6651 1691.1 8.8 scans 62% 205 m/z 1.1% 0.126% 4875 1.0 203 38146 5729713 5543850 1-3 19: 205 119 91 105 93 159 79 147 107 162 77 187 131 121 117 133 220 145 106 0.872 32.67 -0.4 93 94 83 94 220 18.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8635 1699.4 8.1 scans 20% 70 m/z (149) 0.61% 0.0430% 4908 1.5 108 70673 1942206 1683127 9-2 3: 70 96 201 0.604 32.87 -0.1 71 84 56 83 186 2.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9290 1702.1 7.9 scans 57% 71 m/z 0.083% 0.169% 4920 0.8 242 517034 7657048 6998293 4-3 12: 71 43 159 111 243 155 72 173 143 89 73 244 0.879 32.93 -0.2 96 98 95 97 243 41.8 2.989 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0896 1708.9 9.9 scans 51% TIC 1.3% 0.0475% 4947 1.1 149 31071 2145624 1871749 1-2 0.871 33.09 0.2 88 94 92 95 224 8.6 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.3 scans 68% 57 m/z (218) 0.26% 0.159% 4984 0.7 229 164698 0.184% 7196057 6842885 8307700 0-5 19: 57 71 43 85 41 55 56 99 70 226 113 42 84 98 112 83 72 68 58 0.956 33.37 -2.7 93 98 96 98 226 25.9 1.284 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.3 scans 44% 71 m/z 0.72% 0.0435% 5083 1.0 141 59602 1964917 1784409 9-1 19: 71 57 43 85 70 197 41 196 99 55 113 141 56 127 42 69 168 123 72 0.826 33.90 -0.1 91 96 83 95 197 29.8 4.449 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2726 1733.7 7.9 scans 48% 57 m/z (84) 0.70% 0.0539% 5147 1.1 133 61569 2435459 2319614 0-1 19: 57 71 85 43 211 41 210 98 99 212 55 127 113 182 183 70 56 141 58 0.935 34.27 0.1 91 96 94 96 211 26.5 3.956 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3718 1735.1 8.5 scans 95% 73 m/z 0.013% 3.92% 5164 0.7 1129 3253015 177388282 168963446 2-2 20: 73 221 147 281 356 401 282 222 402 415 327 403 207 283 74 148 358 223 416 325 0.995 34.39 452.1 81 100 99 100 415 138.6 1.509 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7602 1740.6 11.0 scans 75% 91 m/z 0.052% 0.736% 5230 0.4 427 825759 33271162 31584861 2-2 19: 91 155 199 90 65 184 89 92 44 120 137 63 106 77 39 64 200 51 156 0.977 34.79 451.6 80 99 95 99 199 124.5 8.508 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9066 1742.7 11.4 scans 47% 69 m/z (71) 0.58% 0.151% 5254 1.6 187 74068 6847447 6439138 3-1 18: 69 83 97 55 41 111 67 82 84 56 125 96 98 224 42 54 154 112 0.925 34.90 0.0 93 94 96 99 224 24.2 1.670 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N407_R~1-N1122 ?? Longipinocarvone 35.0589 1744.9 18.3 scans 6.4% TIC 1.1% 0.0306% 5280 2.1 84 36810 1381678 1310073 1-1 0.107 32.60 488.7 63 94 13 85 218 42.2 0.000 2.463 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9308 1757.4 >10 scans 39% TIC 0.65% 0.0649% 5428 0.8 186 66564 0.158% 2932356 2840967 7133786 1-0 0.710 35.94 451.0 68 95 74 94 238 6.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5206 1765.8 7.1 scans 24% 221 m/z 0.70% 0.0506% 5528 1.1 140 61575 2286702 2168651 2-3 20: 221 73 147 295 207 222 281 369 223 341 297 282 355 148 208 327 296 371 74 356 0.874 36.58 449.3 77 98 84 97 369 23.7 2.870 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2225 1775.9 8.7 scans 89% 209 m/z 0.015% 2.20% 5647 0.6 827 2787974 99535006 95269184 2-2 20: 209 224 181 165 167 178 105 166 179 103 225 194 77 91 152 115 193 97 104 182 0.975 37.20 449.6 80 99 97 99 224 259.5 9.855 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3004 1777.0 9.4 scans 60% 71 m/z (168) 0.35% 0.195% 5660 1.3 226 121370 8843834 7743400 1-4 20: 71 85 57 43 99 113 55 127 69 41 169 155 70 56 111 126 72 141 112 86 0.987 38.91 -23.0 78 82 93 82 254 4.4 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0554 1787.8 8.4 scans 59% 57 m/z 0.32% 0.112% 5788 1.1 207 135161 5096976 4569245 2-2 20: 57 71 85 43 56 41 225 99 55 224 113 127 69 97 70 98 141 83 196 42 0.884 38.06 448.1 76 98 88 96 225 41.5 4.034 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5743 1795.2 8.9 scans 89% 73 m/z 0.050% 0.999% 5876 1.1 546 857162 45137747 42889912 2-2 20: 73 429 147 221 355 430 281 341 431 207 356 401 222 357 74 148 342 295 267 325 0.980 38.59 447.1 80 100 97 100 429 161.5 8.745 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N406_R~1-N1012 ?? Phytol 41.03min 39.2497 1842.1 7.9 scans 46% 123 m/z (138) 1.0% 0.0499% 5991 1.1 127 42013 2256843 2064723 1-3 13: 123 82 95 96 81 67 278 124 79 137 279 109 53 0.915 41.03 455.8 65 91 87 90 278 18.9 2.194 -1.784 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4439 1866.2 7.7 scans 32% 74 m/z (239) 1.4% 0.0304% 6023 1.1 100 29636 1376305 1263147 3-4 16: 74 87 228 213 143 75 229 211 185 129 59 73 199 88 161 171 0.770 39.45 504.7 66 94 80 98 256 14.2 2.012 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.7733 1907.0 8.1 scans 93% 68 m/z 0.057% 1.71% 6079 0.8 764 751435 77248015 74604931 2-1 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.989 39.94 537.9 80 99 99 99 278 42.9 0.316 -0.163 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8913 1921.7 7.5 scans 66% 58 m/z 0.35% 0.166% 6099 1.1 254 123007 7506342 6995813 1-4 9: 58 43 59 109 95 110 124 123 250 0.924 39.88 553.4 77 98 93 97 250 27.9 1.212 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3058 1973.0 8.1 scans 47% 149 m/z (355) 0.18% 0.0742% 6169 0.9 154 239157 3353730 3136884 2-1 11: 149 150 223 104 76 205 167 132 151 121 50 0.800 40.31 598.1 74 99 87 99 223 34.8 5.123 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N406_R~1-N1110 Phytol 40.5259 2000.3 20.4 scans 92% 81 m/z 0.014% 13.6% 6207 0.1 1493 2914559 618548073 583686676 0-6 20: 81 82 123 79 43 69 55 67 41 83 124 109 96 97 71 137 110 53 56 85 0.999 40.66 -16.9 100 100 100 100 278 209.2 1.964 -0.136 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5998 2009.5 7.0 scans 12% 221 m/z (239) 1.1% 0.0338% 6219 1.1 110 37054 1526664 1360634 1-4 17: 221 73 147 295 281 207 369 222 296 223 148 282 74 355 265 401 327 0.876 40.63 629.4 73 98 92 98 369 17.9 2.654 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1254 Phytol 40.9091 2047.8 10.3 scans 78% TIC 0.026% 3.74% 6271 0.5 1009 1634896 169182477 158082849 2-2 0.834 40.87 5.1 97 97 83 97 278 170.2 2.845 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0082 2060.1 8.0 scans 34% 138 m/z 0.76% 0.0521% 6288 1.0 141 56753 2355464 2104026 1-2 13: 138 109 120 69 121 124 262 139 92 68 65 93 276 0.706 41.00 674.3 76 100 81 99 262 20.9 2.206 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2568 2091.0 7.9 scans 70% 79 m/z 0.23% 0.280% 6330 1.0 315 186261 12668887 11724651 2-1 20: 79 67 93 95 80 91 121 108 55 81 41 77 94 107 135 87 78 59 122 105 0.883 41.26 -0.0 96 97 87 96 264 24.1 0.584 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN N406_R~1-N1010 ? Phytol 41.52min 41.4298 2112.4 8.1 scans 42% 82 m/z (205) 0.22% 0.200% 6360 1.0 250 191365 9064874 8266684 3-2 12: 82 95 96 278 67 123 81 93 124 80 243 94 0.940 41.52 718.5 75 99 95 98 278 47.0 3.544 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4551 2115.5 8.1 scans 59% 205 m/z (82) 0.36% 0.270% 6364 0.8 295 117104 12223748 11443532 2-2 20: 205 217 175 189 220 177 232 261 204 91 191 203 192 233 161 159 206 115 135 163 0.944 41.49 -81.1 81 99 91 99 276 21.3 0.521 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8335 2138.7 10.1 scans 44% 57 m/z (236) 1.3% 0.0536% 6428 1.0 124 33126 0.0834% 2423223 2388068 3765555 0-1 20: 57 71 85 84 99 43 111 159 140 41 113 56 100 58 253 126 239 193 252 187 0.923 41.48 19.7 69 73 87 78 268 1.9 0.000 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0148 2148.9 8.0 scans 88% 74 m/z 0.025% 1.53% 6459 0.7 721 1687080 69156243 62712310 3-3 20: 74 87 143 43 55 75 227 270 41 69 57 129 83 239 59 97 185 101 88 171 0.973 42.01 746.9 80 99 97 99 272 18.9 0.069 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3389 2167.0 7.8 scans 62% 73 m/z (95) 0.43% 0.0983% 6514 1.2 180 98638 4442743 4059220 2-4 20: 73 147 281 221 429 355 503 341 207 282 461 430 415 222 343 504 148 283 74 295 0.913 42.37 758.0 73 96 93 98 503 31.0 2.964 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2887 2277.0 7.0 scans 31% 221 m/z (83 159) 2.9% 0.0122% 6844 1.1 66 14669 554816 497145 1-9 19: 221 147 73 295 223 369 281 296 207 222 355 371 297 282 148 370 253 149 267 0.716 44.32 829.7 66 95 83 97 369 13.1 3.962 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7852 2363.1 8.1 scans 32% 73 m/z 2.0% 0.0155% 7098 1.2 73 20899 701098 634224 4-1 19: 73 355 147 221 357 281 356 207 282 191 341 74 296 431 504 267 535 327 430 0.698 45.78 0.5 90 93 66 91 503 8.2 1.287 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9139 2370.5 >6 scans 56% TIC 1.0% 0.0186% 7119 0.0 114 39450 0.127% 841460 818593 5734119 1-0 0.896 45.92 891.8 75 97 88 96 298 19.4 2.921 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0969 2381.0 8.0 scans 79% 79 m/z 0.21% 0.333% 7150 1.1 334 200930 15051075 13440302 2-7 20: 79 67 95 93 108 80 81 55 91 41 107 94 121 77 109 135 69 78 59 149 0.929 46.13 -2.2 96 98 93 98 292 26.5 0.633 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN HCMIX_~1-N1022 Henicosane 46.1849 2386.1 8.7 scans 49% 57 m/z (84) 0.94% 0.0488% 7165 1.2 116 46082 2207520 1945908 0-4 19: 57 71 85 43 99 127 41 113 58 239 155 56 296 72 238 141 126 183 168 0.916 46.28 -5.6 88 93 83 91 296 11.0 0.895 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4369 2400.6 8.6 scans 3.9% 195 m/z (113) 14% 0.00268% 7207 0.5 30 2943 121362 111813 4-3 1: 195 0.268 46.49 -3.4 68 81 20 75 290 8.7 0.000 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7569 2419.0 7.6 scans 64% 74 m/z (256) 0.70% 0.0570% 7262 1.2 138 61511 2575092 2445912 2-4 13: 74 87 298 143 255 75 199 267 88 59 101 129 213 0.938 46.76 923.9 75 98 93 97 298 28.0 4.146 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4995 2461.8 7.7 scans 12% 138 m/z (355) 7.2% 0.00339% 7388 1.2 32 5948 153095 135746 1-4 6: 138 120 121 306 139 65 0.502 47.50 949.0 60 95 48 91 168 4.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9293 2544.1 8.0 scans 43% 73 m/z 2.6% 0.0117% 7630 1.1 63 16635 530141 502357 2-3 20: 73 429 147 355 356 281 221 431 357 207 283 222 401 267 282 295 265 430 358 149 0.667 48.95 993.7 70 97 64 96 429 21.1 11.161 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8455 2711.8 8.5 scans 44% 73 m/z 2.9% 0.0130% 8124 1.2 62 14699 590354 513176 4-4 18: 73 147 221 355 281 429 205 283 222 430 369 503 356 327 341 148 357 296 0.707 51.86 1080.9 73 96 69 93 503 10.8 2.972 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8799 3059.0 >21 scans 38% 221 m/z (295) 6.9% 0.00856% 9147 1.1 39 6196 386598 351148 4-4 4: 221 73 147 281 0.578 45.81 1582.5 61 90 65 87 503 5.4 1.900 12.068 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1098 771.3 5.0 scans 86% 77 m/z 0.054% 0.211% 38 3.1 295 800428 0.213% 7843194 6710826 7893426 2-8 17: 77 45 78 79 62 76 59 75 63 47 61 46 92 60 64 58 80 0.993 4.37 17.3 100 100 99 100 77 252.0 73.057 -0.261 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1016 ?? Pivalic acid 6.2061 825.8 12.1 scans 45% 57 m/z (44) 1.0% 0.0331% 393 0.7 83 39893 1227623 1098305 1-6 11: 57 41 39 87 59 102 58 38 85 37 65 0.735 6.03 -135.8 66 94 83 94 102 9.4 0.000 0.173 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5904 835.8 16.9 scans 71% 207 m/z 0.50% 0.0649% 458 2.6 106 86456 2406812 2263741 1-2 20: 207 208 191 192 177 178 193 147 103 163 119 117 179 115 161 210 73 89 104 211 0.830 6.53 -141.0 80 100 83 99 207 82.8 60.697 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6849 864.3 8.7 scans 92% 41 m/z (108) 0.23% 0.484% 643 2.0 348 183250 17936975 15543029 2-3 20: 41 55 69 83 39 42 57 98 70 97 56 43 80 53 54 40 79 68 51 38 0.991 7.71 9.0 99 100 100 100 98 68.8 3.902 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8467 998.7 9.0 scans 57% 281 m/z (100) 0.60% 0.100% 1518 2.0 160 71132 3715413 3360943 1-3 20: 281 43 108 41 282 69 55 283 111 134 191 58 93 39 265 249 67 133 193 68 0.701 12.22 52.4 82 91 42 99 281 75.1 22.013 0.627 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1022 ? Octanal 13.4843 1015.9 7.8 scans 67% 84 m/z (103) 2.3% 0.0489% 1626 1.5 126 18560 1813908 1669159 1-4 16: 84 41 57 56 43 55 44 69 82 68 42 100 39 85 110 71 0.926 12.96 -158.9 71 93 89 99 110 14.6 0.000 0.529 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.7676 1023.6 10.1 scans 89% 81 m/z 0.083% 0.437% 1674 1.8 325 517548 16206092 14802819 2-3 20: 81 110 53 39 67 41 79 68 77 65 82 51 50 66 40 95 54 109 63 52 0.970 13.22 60.0 89 98 98 98 110 88.8 7.482 0.546 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.2216 1035.9 8.5 scans 50% 119 m/z (110) 1.5% 0.0156% 1751 1.1 70 28031 578823 529784 2-2 16: 119 134 91 115 120 92 117 95 103 93 102 118 105 66 104 135 0.881 13.76 -163.6 76 99 87 99 134 25.8 13.763 0.465 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1016 Limonene 14.3822 1040.3 8.2 scans 86% 68 m/z 0.21% 0.323% 1778 1.4 320 201081 11995980 11006798 2-3 20: 68 93 67 79 94 136 121 92 107 91 53 77 39 41 81 80 124 95 65 105 0.951 13.89 65.0 84 93 91 99 136 63.7 3.969 0.490 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5439 1044.6 9.7 scans 69% 108 m/z 0.48% 0.108% 1805 1.6 178 90171 4023930 3528097 2-3 18: 108 79 107 77 51 91 89 78 90 50 80 63 65 52 76 74 109 105 0.948 14.11 65.6 88 99 93 99 108 81.3 20.920 0.435 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8798 1053.7 9.4 scans 85% TIC 0.14% 0.177% 1862 1.5 222 303395 6565661 5560543 4-6 0.972 14.44 68.9 88 99 97 99 120 72.2 10.599 0.438 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5581 1072.1 11.0 scans 87% 105 m/z 0.11% 0.400% 1977 2.1 288 377093 14835871 13673945 2-1 20: 105 77 123 51 46 50 106 78 124 74 76 75 52 94 79 73 38 63 49 66 0.969 15.17 74.7 86 99 96 99 123 103.8 12.997 0.388 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN 98-86-2 ? Acetophenone 15.6283 1074.0 >9 scans 58% TIC 0.34% 0.0605% 1989 4.8 157 124819 0.241% 2243012 2136600 8931059 0-1 0.862 15.29 -171.7 76 96 91 98 120 41.5 6.974 0.335 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7842 1078.2 8.6 scans 60% TIC 0.20% 0.169% 2015 1.9 230 206686 6294478 5801377 1-2 0.708 15.43 76.5 79 100 81 99 124 74.0 10.364 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.5333 1098.5 11.0 scans 50% TIC 2.2% 0.0149% 2142 1.2 79 19632 553403 507415 2-0 0.803 16.25 -176.1 77 99 81 98 132 39.5 25.245 0.279 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0534 1119.7 8.5 scans 88% TIC 0.18% 0.503% 2230 0.8 393 239044 18650328 16556884 3-5 0.971 16.82 97.3 76 95 95 95 124 5.4 0.000 0.238 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0540 1119.7 8.3 scans 86% 57 m/z 0.18% 0.472% 2230 1.1 390 232930 17512568 15384139 6-5 20: 57 41 56 43 55 98 70 44 69 82 68 95 81 96 67 39 42 71 54 114 0.977 16.82 -171.7 78 98 96 97 124 22.7 0.000 0.239 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2423 1127.7 9.0 scans 79% TIC 0.34% 0.151% 2262 1.4 221 125259 0.180% 5596907 5446854 6670501 1-0 0.935 16.97 103.0 78 99 94 99 128 53.3 5.808 0.274 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3190 1130.9 9.9 scans 54% 91 m/z (83) 0.62% 0.0555% 2275 1.4 116 69258 2059565 1817328 6-3 8: 91 92 122 65 89 102 90 103 0.917 17.05 104.9 77 99 97 99 122 37.6 10.500 0.267 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2565 1170.5 8.7 scans 71% 73 m/z 0.48% 0.0860% 2434 1.4 162 89802 3187368 2897485 8-2 20: 73 355 267 356 268 357 269 74 193 75 323 154 223 133 59 179 177 155 339 170 0.903 18.13 -161.2 79 99 86 99 355 68.6 17.848 0.125 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3911 1176.2 9.0 scans 7.2% 281 m/z (60) 7.4% 0.00271% 2457 1.6 27 5838 100609 92190 1-3 8: 281 148 193 283 282 49 191 265 0.568 12.25 23.1 78 90 52 89 281 21.5 62.495 6.140 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.4176 1177.3 10.2 scans 27% 60 m/z (281) 5.2% 0.0139% 2462 0.6 60 8208 517527 479681 0-5 8: 60 85 73 101 115 93 45 88 0.655 19.87 109.0 63 94 68 94 144 2.2 0.000 -1.453 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9059 1198.0 8.3 scans 57% TIC 2.2% 0.0246% 2544 1.0 111 18857 913763 853948 1-0 0.848 18.71 147.2 75 98 84 96 153 2.4 0.000 0.200 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3002 1214.6 >11 scans 41% TIC 1.8% 0.0113% 2611 1.2 76 22972 420211 399397 1-0 0.823 19.12 157.5 69 92 82 95 97 15.1 3.938 0.179 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN M4942-N1004 Hyacinthin 19.4301 1220.1 10.8 scans 3.4% 91 m/z (60) 5.0% 0.00461% 2633 1.0 34 8669 171071 159062 2-1 7: 91 39 102 134 135 120 89 0.114 14.47 -1.0 84 91 76 93 120 8.7 6.436 4.956 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9543 1242.3 10.3 scans 53% 57 m/z (91) 0.83% 0.0711% 2721 1.6 133 51669 2636906 2351339 5-3 19: 57 45 41 75 87 56 101 89 72 100 59 58 73 46 85 60 44 61 132 0.964 19.81 174.8 73 96 91 99 144 1.9 0.000 0.140 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4419 1261.4 11.5 scans 28% 71 m/z (107) 3.5% 0.0155% 2804 1.7 60 12274 576959 539163 1-1 11: 71 43 57 42 56 113 60 70 73 58 170 0.861 20.32 3.7 86 95 83 92 170 6.9 0.000 0.122 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1034 ? Decanal 20.6526 1267.7 8.0 scans 81% 57 m/z 0.43% 0.243% 2840 1.0 295 100142 9014406 8385435 5-2 20: 57 41 43 55 82 70 71 68 67 44 83 56 81 112 69 96 95 42 39 84 0.921 20.57 -139.3 76 94 96 99 138 15.6 0.278 0.084 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0659 1280.1 12.6 scans 71% 94 m/z (137) 0.24% 0.143% 2910 1.2 187 177596 5322411 4844396 7-1 12: 94 138 77 66 51 45 76 63 50 74 139 64 0.981 20.98 195.1 76 97 96 99 152 4.4 0.000 0.083 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1208 1281.7 8.9 scans 78% 137 m/z (94) 0.28% 0.315% 2919 1.1 309 149768 11688563 10960939 3-3 16: 137 152 109 123 81 67 91 79 41 93 55 53 119 153 124 110 0.991 21.00 196.4 64 85 83 85 155 0.0 0.000 0.120 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1024 ?? Hexadecane 21.1946 1283.9 8.3 scans 7.7% 71 m/z (281) 4.0% 0.0118% 2932 0.8 61 10612 437328 410698 1-1 8: 71 85 70 140 179 148 113 112 0.431 33.32 16.9 62 71 64 72 226 0.0 0.000 -12.124 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1042 ? Phytol 21.3699 1289.2 >10 scans 51% TIC 3.3% 0.0232% 2962 999.0 106 12844 0.0407% 863087 791502 1508274 0-3 0.922 35.35 -8.2 76 81 82 81 196 0.0 0.000 -13.977 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9779 1337.5 8.4 scans 33% 109 m/z (85) 0.34% 0.142% 3234 0.9 211 124674 5280109 4897206 3-5 4: 109 86 110 128 0.868 22.91 223.9 69 95 86 94 127 25.8 1.493 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.1474 1342.6 >16 scans 83% 60 m/z 0.22% 0.494% 3263 0.2 313 190908 18334386 15878906 2-10 20: 60 73 115 57 55 41 43 129 69 87 98 39 45 61 74 56 42 70 83 101 0.977 25.35 193.4 77 96 94 99 162 0.0 0.000 -2.207 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.1474 1342.6 >16 scans 82% 60 m/z (110) 0.21% 0.537% 3263 0.2 312 200637 19920390 17252500 2-10 20: 60 73 115 57 55 41 43 129 69 87 98 39 45 61 74 56 42 70 83 101 0.988 22.70 -132.7 73 93 93 98 158 22.2 0.506 0.451 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1006 ? Tridecane 23.8894 1364.9 9.8 scans 38% 57 m/z (43) 1.2% 0.0403% 3388 1.3 98 34859 1495297 1352649 2-2 11: 57 71 85 69 70 84 56 184 98 154 141 0.777 23.86 0.9 79 88 70 86 184 13.1 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1297 1372.9 7.3 scans 55% 73 m/z 0.25% 0.129% 3429 1.1 222 169321 4804344 4455888 2-5 18: 73 341 429 342 147 325 343 430 431 74 326 207 327 344 148 75 45 191 0.920 24.17 -150.9 79 99 88 98 429 62.6 7.939 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.5937 1388.4 7.7 scans 72% 71 m/z 0.64% 0.0681% 3507 1.0 166 67261 2524701 2379157 1-2 20: 71 57 85 43 41 84 70 55 113 127 99 56 69 169 42 126 98 86 112 83 0.933 24.54 251.1 78 99 94 98 169 18.3 0.000 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2301 1409.7 7.8 scans 49% 43 m/z 0.33% 0.0518% 3615 1.1 134 130713 0.0546% 1920321 1694509 2023385 5-2 10: 43 103 145 116 115 86 74 73 61 146 0.913 25.24 -150.2 79 100 93 99 145 50.2 13.973 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N406_R~1-N1090 ?? UNK 42.45min 25.4184 1416.0 7.8 scans 17% 159 m/z (127) 4.7% 0.0109% 3648 1.3 61 9153 406826 366276 1-1 18: 159 187 160 117 115 104 99 173 88 105 141 53 78 143 174 203 91 139 0.762 42.45 5.4 62 65 44 77 272 0.0 0.000 -17.028 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1004 ?? Nicotine 25.5601 1420.7 19.9 scans 32% 84 m/z 0.62% 0.0476% 3671 1.2 115 68845 0.0801% 1766350 1655225 2968373 0-2 19: 84 162 133 59 99 161 98 130 44 51 120 117 141 153 50 64 40 65 75 0.629 25.89 263.7 68 90 62 89 162 33.2 8.383 -0.332 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1097 1472.5 6.6 scans 38% 221 m/z (178) 2.3% 0.0159% 3934 1.0 81 18462 590944 535444 2-2 19: 221 147 73 281 222 267 355 205 148 149 357 282 74 131 356 191 443 268 444 0.902 27.12 297.6 73 96 86 95 355 14.4 3.157 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1976 1475.4 8.6 scans 68% 57 m/z (186) 0.53% 0.0846% 3949 0.9 169 81348 0.153% 3138145 3042250 5669926 1-0 19: 57 71 85 43 41 56 55 84 99 198 70 170 42 112 98 154 113 72 126 0.978 27.21 -0.4 94 97 96 97 198 21.0 1.551 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 28.0005 1505.6 8.9 scans 94% 161 m/z 0.067% 2.35% 4085 0.7 867 642873 87320471 82893531 2-2 20: 161 119 91 93 105 204 69 79 189 41 120 148 81 77 107 133 92 123 109 121 0.995 45.98 25.9 78 78 81 80 204 167.6 3.735 -17.975 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4049 1520.8 8.8 scans 18% 80 m/z 2.0% 0.0101% 4153 1.0 58 20872 376993 342120 3-4 10: 80 171 172 104 103 165 51 163 149 173 0.662 28.39 327.4 71 94 70 93 171 29.3 25.492 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6776 1531.0 8.1 scans 75% 43 m/z 0.10% 0.441% 4199 1.0 381 426774 16355565 13971804 8-11 20: 43 69 41 151 107 136 67 125 93 109 53 83 39 81 121 68 108 79 77 91 0.931 28.67 333.6 78 98 91 97 194 24.9 0.429 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1073 1547.2 7.6 scans 72% 71 m/z 0.12% 0.376% 4272 1.1 390 339367 0.489% 13939359 13338732 18121527 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 69 42 140 72 127 0.881 29.10 343.3 69 92 90 90 227 7.9 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1073 1547.2 7.6 scans 80% 71 m/z (179) 0.12% 0.484% 4272 1.1 412 341134 0.630% 17963415 17189398 23346752 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 69 42 140 72 127 0.948 29.09 343.5 70 93 88 94 220 38.0 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5218 1562.7 8.1 scans 90% TIC 0.016% 3.46% 4342 0.8 1098 2687729 128533265 122898555 1-2 0.957 29.61 -150.4 80 99 94 99 503 164.3 2.242 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7738 1572.2 8.0 scans 66% 123 m/z 0.054% 0.348% 4385 0.9 353 788998 12930839 11687850 1-3 15: 123 135 124 107 95 109 79 91 77 81 53 193 67 93 125 0.935 29.77 358.2 78 98 92 98 193 30.2 0.734 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1010 Pentadecane 29.8157 1573.8 9.2 scans 65% 85 m/z (123) 0.35% 0.219% 4392 0.9 253 122740 8122062 7483059 2-0 17: 85 57 71 99 127 84 183 113 56 141 70 155 86 126 58 140 72 0.977 30.38 -21.1 80 83 93 84 212 4.3 0.000 -0.561 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9509 1578.9 8.9 scans 63% 71 m/z 0.10% 0.466% 4415 0.8 366 396364 17284335 15404648 1-3 19: 71 85 57 43 99 113 55 84 70 69 155 56 83 169 126 42 112 72 197 0.798 29.94 362.5 72 96 79 93 254 10.8 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5035 1600.2 7.9 scans 80% 191 m/z 0.043% 0.460% 4509 1.1 413 988198 17066012 16119808 1-6 20: 191 206 192 57 163 74 175 91 115 107 41 73 207 77 88 128 147 133 161 105 0.953 30.50 375.4 80 99 94 99 206 112.2 7.393 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8305 1614.0 8.1 scans 18% 124 m/z (71) 3.6% 0.0137% 4564 1.0 67 11739 510579 453432 4-4 5: 124 137 59 180 201 0.927 30.81 384.6 62 85 67 90 180 17.4 6.852 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8884 1616.4 9.1 scans 57% 162 m/z (202) 0.68% 0.0920% 4574 1.0 166 63400 3410237 3240280 1-2 19: 162 147 161 105 163 91 145 77 119 63 133 204 51 115 66 149 79 103 131 0.911 30.88 0.4 86 88 77 92 204 18.8 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2160 1630.2 9.8 scans 75% 111 m/z (71) 0.10% 0.645% 4629 0.7 421 427092 23902911 22095845 2-2 19: 111 109 137 180 67 110 124 152 95 79 77 39 81 112 93 65 165 91 138 0.969 31.20 394.8 73 96 94 96 180 91.5 4.716 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2160 1630.2 9.8 scans 63% 111 m/z 0.10% 0.506% 4629 0.7 387 427255 18774022 17354702 2-2 19: 111 109 137 180 67 110 124 152 95 79 77 39 81 112 93 65 165 91 138 0.905 31.18 395.2 74 94 81 96 180 91.5 5.605 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5112 1642.6 9.8 scans 67% 43 m/z (185) 0.59% 0.121% 4680 1.5 184 73263 4499502 4259322 1-1 20: 43 85 98 111 55 127 166 151 68 67 99 82 84 126 83 107 56 39 123 183 0.969 31.52 -0.1 87 88 89 92 166 27.9 2.299 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9179 1659.7 8.0 scans 56% 71 m/z (143) 1.0% 0.0821% 4749 0.7 154 41247 3043794 2671297 3-1 20: 71 57 85 43 55 99 69 41 113 70 84 127 155 141 112 42 97 126 169 184 0.952 31.92 -0.0 72 77 86 82 219 2.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0401 1664.8 6.7 scans 26% 221 m/z 1.1% 0.0288% 4769 1.1 111 38163 1070820 1030106 1-2 15: 221 73 147 207 295 222 355 223 341 148 209 296 74 325 281 0.584 32.08 -1.6 92 97 85 96 355 17.8 2.593 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2343 1672.9 8.7 scans 56% 57 m/z (155) 0.46% 0.151% 4802 1.4 203 93056 5601596 5195301 1-1 20: 57 43 71 85 41 55 81 183 99 56 149 121 69 220 113 107 105 182 42 82 0.870 32.24 -0.2 86 94 93 94 226 10.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4421 1681.7 11.3 scans 32% TIC 1.0% 0.0257% 4837 1.1 111 39472 953299 927923 1-0 0.604 32.44 -0.0 78 84 62 80 226 4.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6735 1691.4 9.7 scans 55% TIC 2.1% 0.0697% 4876 1.0 169 20130 2583709 2453292 1-1 0.810 32.67 -0.1 90 94 77 94 220 17.7 1.100 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9345 1702.4 8.1 scans 76% 71 m/z (149) 0.081% 0.282% 4920 1.0 305 534026 10484996 9601645 6-3 12: 71 43 111 159 56 72 155 173 143 89 98 73 0.990 32.93 0.1 93 92 86 99 243 45.0 2.182 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0897 1708.9 7.7 scans 24% 83 m/z 3.7% 0.0119% 4947 1.0 87 11514 444056 420688 1-1 20: 83 55 57 97 43 69 70 111 41 56 85 84 167 82 98 71 95 159 54 96 0.699 33.09 0.2 84 94 74 91 224 2.6 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.5 scans 65% TIC 0.40% 0.0911% 4984 0.9 209 107209 3377553 3063264 2-1 0.884 33.37 -2.8 91 94 94 97 226 23.3 1.243 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8943 1728.3 7.4 scans 42% 71 m/z 1.1% 0.0331% 5083 1.0 128 37650 1227263 1152500 2-0 20: 71 43 57 70 85 197 41 55 113 99 56 127 42 69 141 72 84 39 98 196 0.860 33.90 -0.0 89 93 87 91 197 24.4 3.664 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2704 1733.6 6.5 scans 9.4% 57 m/z (219) 4.3% 0.00519% 5147 1.1 48 10040 192675 192675 0-0 13: 57 71 43 211 41 141 127 42 85 182 181 210 39 0.764 34.27 0.0 79 89 69 86 211 10.6 4.801 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3944 1735.4 20.1 scans 86% TIC 0.010% 11.3% 5168 0.5 1408 3982678 13.1% 419539782 395746026 485464212 2-0 0.999 34.39 452.4 80 100 99 100 415 159.6 1.288 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8200 1741.5 14.4 scans 89% 91 m/z 0.036% 1.66% 5240 0.2 585 1190721 61881737 58328251 1-2 20: 91 155 199 90 65 184 89 92 44 120 137 63 106 77 39 64 51 156 134 78 0.991 34.79 452.5 80 100 98 99 199 161.7 7.643 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9079 1742.8 7.8 scans 24% 68 m/z (71) 2.3% 0.0332% 5255 1.1 104 18559 1231829 1174597 0-2 2: 68 224 0.854 34.90 0.1 87 93 90 98 224 13.5 1.682 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N407_R~1-N1122 ?? Longipinocarvone 35.0685 1745.1 12.3 scans 11% TIC 1.6% 0.0374% 5282 1.3 108 26774 1386111 1327229 1-1 0.183 32.60 488.9 65 92 17 87 218 41.1 0.000 2.473 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9357 1757.5 9.9 scans 32% 91 m/z (200) 0.56% 0.111% 5428 1.6 169 76736 4149427 3817389 2-3 17: 91 155 184 65 148 105 92 220 109 82 44 119 133 117 97 89 120 0.637 35.94 451.1 68 95 63 94 238 6.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2061 1775.6 7.9 scans 81% TIC 0.052% 0.677% 5644 0.9 505 822673 25123282 22760425 4-1 0.954 37.20 449.3 80 99 97 99 224 156.2 9.573 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0562 1787.8 8.4 scans 58% 57 m/z (173) 0.75% 0.0838% 5788 1.0 161 57227 3106372 2831032 2-2 20: 57 71 85 43 56 41 225 99 55 127 224 113 70 239 69 98 155 83 141 58 0.932 38.06 448.1 72 98 95 98 225 26.8 2.789 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5727 1795.2 10.7 scans 96% 73 m/z 0.011% 6.75% 5876 0.5 1357 3728335 250453655 238448938 2-2 20: 73 147 355 207 356 431 401 342 267 343 283 208 475 265 205 131 403 415 249 59 0.998 38.59 447.1 80 99 99 100 429 373.0 7.569 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8242 1798.8 11.4 scans 48% 57 m/z (239) 1.0% 0.0644% 5918 0.7 127 42515 2387482 2266476 1-1 18: 57 85 43 41 70 126 113 84 197 72 112 69 98 182 140 154 39 114 0.949 38.91 -1.2 88 95 91 93 254 11.0 0.000 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.7770 1907.5 8.2 scans 95% 68 m/z 0.049% 2.41% 6080 0.7 930 884616 89590762 86339701 1-1 20: 68 95 82 123 57 69 55 43 81 83 67 41 97 71 96 109 124 111 79 56 0.997 39.94 538.4 80 99 99 99 278 46.1 0.246 -0.159 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8868 1921.1 7.8 scans 66% 43 m/z (153) 0.53% 0.150% 6098 1.5 222 80614 5584492 5065276 1-2 18: 43 58 71 59 85 109 55 110 41 95 69 124 83 70 56 113 250 111 0.950 39.88 552.8 72 97 94 97 250 21.4 0.926 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3077 1973.3 8.0 scans 51% 149 m/z (281) 0.16% 0.0890% 6169 1.0 173 259466 3300482 3120633 2-1 13: 149 150 104 223 76 167 205 50 121 65 224 161 206 0.912 40.31 598.4 75 98 80 98 223 38.4 4.912 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN N406_R~1-N1110 Phytol 40.4382 1989.5 10.2 scans 94% 81 m/z 0.027% 5.30% 6192 0.4 1231 1573613 196697800 186018372 2-2 20: 81 82 95 68 123 57 43 69 79 83 55 67 41 96 71 124 109 97 111 110 0.997 40.66 -27.7 97 98 99 98 278 134.8 1.198 -0.224 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5952 2008.9 7.0 scans 36% 221 m/z (93) 1.1% 0.0397% 6218 1.1 124 38336 1472141 1392270 2-4 19: 221 73 147 295 207 222 281 369 223 296 148 74 282 149 355 401 341 75 208 0.907 40.63 628.8 75 99 96 99 369 18.4 2.208 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1254 Phytol 40.8673 2042.7 8.5 scans 84% TIC 0.064% 1.75% 6264 0.8 779 672554 64902092 62537151 1-2 0.892 40.87 -0.0 99 99 89 99 278 106.6 1.873 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9996 2059.1 8.1 scans 45% 138 m/z 1.0% 0.0516% 6287 0.9 143 39437 1915525 1802038 1-2 12: 138 120 109 69 121 124 139 92 65 262 93 39 0.912 41.00 673.3 79 100 94 99 262 17.5 1.500 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4417 2113.9 8.4 scans 69% 205 m/z (114) 0.40% 0.343% 6361 0.8 334 106798 12714933 11927986 3-2 20: 205 217 175 189 177 220 55 232 91 261 191 192 203 115 161 77 109 79 163 233 0.854 41.49 -82.7 82 99 90 99 276 21.0 0.396 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8325 2138.6 8.5 scans 43% 71 m/z (252) 2.5% 0.0353% 6428 0.8 111 17193 1311619 1311619 0-0 20: 71 57 113 85 43 84 99 70 41 83 69 55 97 111 125 197 187 224 140 121 0.905 41.48 19.6 64 71 82 74 268 0.0 0.000 0.349 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9943 2147.7 8.0 scans 61% 74 m/z 0.26% 0.148% 6455 1.0 231 164537 5496954 5113544 2-4 17: 74 87 43 75 143 55 41 227 270 69 239 59 129 101 88 171 199 0.846 42.01 745.7 76 97 83 96 272 7.1 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3178 2165.9 8.5 scans 87% 73 m/z 0.093% 0.508% 6510 1.0 408 465273 18846137 17702810 2-3 20: 73 147 281 221 355 207 282 429 341 503 148 74 222 283 356 430 295 504 415 223 0.969 42.37 756.9 77 95 97 100 503 53.5 1.716 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8479 2251.8 8.6 scans 48% 71 m/z (220) 1.9% 0.0392% 6769 1.5 108 22349 1453903 1319611 2-2 18: 71 57 85 127 267 55 239 113 99 69 126 84 70 169 141 268 128 58 0.906 43.94 -4.9 61 65 83 82 282 4.4 0.169 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2883 2277.0 6.9 scans 23% 221 m/z 4.2% 0.00713% 6844 1.0 54 10239 264285 232191 2-10 16: 221 73 147 295 207 281 369 223 355 222 297 149 296 283 148 371 0.687 44.32 829.7 70 98 65 94 369 11.2 4.286 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1234 ? Thunbergol 45.1561 2326.9 9.1 scans 20% TIC 5.9% 0.00854% 6991 1.5 58 7350 0.0101% 316462 285879 374289 2-0 0.338 44.90 14.7 79 86 25 81 272 6.6 0.000 0.255 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7871 2363.2 8.4 scans 48% TIC 1.4% 0.0220% 7098 1.4 95 30525 817690 723316 2-2 0.777 45.78 0.6 91 93 72 91 503 8.2 0.745 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0917 2380.8 10.5 scans 26% TIC 6.1% 0.00413% 7149 1.2 54 7058 153312 134706 2-1 0.591 46.13 -2.4 80 88 52 84 292 5.1 0.913 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN HCMIX_~1-N1022 Henicosane 46.1833 2386.0 8.2 scans 52% 57 m/z (191) 2.0% 0.0256% 7165 1.0 89 20910 951749 833256 1-5 13: 57 71 85 43 99 41 168 56 169 155 125 141 126 0.895 46.28 -5.7 88 94 83 90 296 7.5 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N444_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9342 2544.4 7.4 scans 31% 73 m/z 4.4% 0.00487% 7631 1.0 42 9660 180706 158490 2-11 16: 73 281 295 207 431 221 357 355 74 223 283 222 341 356 267 149 0.517 48.95 994.0 73 97 49 93 429 13.1 9.856 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0803 770.5 7.4 scans 70% 77 m/z 0.080% 0.166% 33 3.8 229 545308 7595130 6441313 8-4 17: 77 55 45 78 79 76 62 84 59 63 75 46 47 56 92 64 37 0.869 4.37 16.5 99 99 98 99 77 197.3 73.946 -0.291 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.2061 825.8 13.6 scans 51% 57 m/z 0.52% 0.0460% 393 0.2 105 84017 2106151 1878535 1-9 13: 57 59 87 39 102 86 53 38 37 69 50 54 51 0.652 6.03 -135.8 73 98 79 97 102 11.5 1.207 0.173 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5496 834.8 15.6 scans 75% 207 m/z 0.44% 0.0608% 451 2.7 113 99774 2780218 2623303 1-1 20: 207 208 96 133 191 210 192 209 119 163 103 161 147 149 115 178 193 165 176 134 0.899 6.53 -142.0 80 100 89 99 207 84.4 56.211 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6547 863.5 8.7 scans 83% 55 m/z 0.85% 0.106% 638 2.6 178 51639 4888606 4285195 2-2 20: 55 69 41 83 39 42 57 98 70 97 53 43 56 80 81 54 79 40 68 52 0.967 7.71 8.2 99 99 96 98 98 41.6 5.463 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2168 982.3 8.6 scans 55% 43 m/z (134) 0.42% 0.120% 1411 1.7 188 102732 5520345 4705547 4-5 20: 43 281 108 41 55 69 282 111 283 67 39 93 58 265 68 126 83 249 193 163 0.624 12.22 36.0 84 89 37 100 281 85.7 20.794 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6666 994.0 9.8 scans 87% 81 m/z (93) 0.18% 0.189% 1487 2.1 220 237202 8671949 7716532 3-2 19: 81 110 53 39 41 79 67 68 77 65 51 82 95 66 50 40 54 109 52 0.992 13.22 30.4 93 96 96 99 110 63.6 8.341 -0.555 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1022 ? Octanal 12.9240 1000.8 8.0 scans 67% 84 m/z (71 59) 2.2% 0.0435% 1531 1.4 124 19414 1989540 1825203 2-3 15: 84 56 57 43 44 41 55 69 82 42 68 85 100 67 58 0.914 12.96 -174.0 71 97 94 98 110 15.2 1.510 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1024 ? p-Cymene 13.7275 1022.5 >14 scans 27% TIC 3.4% 0.00334% 1667 1.0 41 12818 0.00518% 153041 140871 236726 2-0 0.610 13.76 -177.0 74 97 76 97 134 15.9 14.764 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1016 Limonene 13.8992 1027.2 8.2 scans 53% 68 m/z 1.0% 0.0425% 1696 1.2 128 42236 1942342 1789684 2-5 18: 68 93 67 136 94 79 92 81 107 91 53 41 39 80 95 121 51 65 0.762 13.89 51.9 88 98 81 96 136 27.1 4.474 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0763 1032.0 10.1 scans 83% 79 m/z 0.24% 0.200% 1726 1.7 237 177342 9140213 8503428 1-3 20: 79 108 107 77 51 91 78 50 80 90 89 63 65 53 52 74 62 64 61 76 0.952 14.11 53.0 92 100 95 100 108 107.1 20.478 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4424 1041.9 9.3 scans 90% TIC 0.078% 0.259% 1788 1.3 288 559244 11873991 10737668 4-3 0.986 14.44 57.1 91 99 98 100 120 92.7 10.345 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1708 1061.6 11.5 scans 84% 105 m/z 0.087% 0.459% 1911 2.2 320 504406 20997342 19121186 2-1 20: 105 77 123 51 46 50 94 78 74 76 52 106 79 39 63 53 38 49 64 62 0.942 15.17 64.2 89 99 98 99 123 113.6 12.627 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN 98-86-2 ? Acetophenone 15.2600 1064.0 >11 scans 61% 120 m/z 0.26% 0.0944% 1927 2.0 178 163092 4315630 4032226 0-2 18: 120 105 77 121 43 63 107 51 78 50 106 89 65 74 96 62 61 37 0.970 15.29 -181.7 78 97 95 99 120 55.0 9.566 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4264 1068.6 8.9 scans 76% TIC 0.13% 0.230% 1955 1.3 296 321052 10520760 9982092 1-1 0.910 15.43 66.9 87 99 94 100 124 86.5 8.533 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2015 1089.6 >13 scans 15% 117 m/z (133) 11% 0.00315% 2087 1.0 31 3694 144382 144382 0-0 6: 117 115 92 91 118 99 0.713 16.25 -185.0 60 90 65 90 132 16.2 27.297 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1002 Undecane 16.6059 1100.8 8.2 scans 59% 57 m/z 0.91% 0.0444% 2155 1.1 132 47870 2029302 1852616 2-1 20: 57 43 71 41 85 56 55 70 156 69 111 84 98 42 82 99 154 39 113 112 0.859 16.59 0.8 89 97 92 96 156 15.7 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1016 Nonanal 16.7783 1108.1 8.3 scans 89% TIC 0.16% 0.412% 2184 1.0 389 267971 0.458% 18832442 16876751 20930561 0-5 0.981 16.82 85.7 81 98 97 97 124 23.8 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9595 1115.7 9.5 scans 89% TIC 0.15% 0.256% 2214 1.0 311 279220 11709248 10315868 2-1 0.975 16.97 91.0 80 96 95 100 128 72.9 5.504 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0463 1119.4 9.2 scans 86% 91 m/z 0.047% 0.522% 2229 1.3 405 928576 23877660 22163021 7-4 20: 91 92 122 65 77 63 51 93 89 39 78 103 104 50 123 90 62 64 52 74 0.975 17.05 93.4 82 100 99 100 122 136.4 11.346 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0676 1162.5 8.3 scans 73% 73 m/z 0.29% 0.115% 2403 1.5 200 150182 5295387 5097701 1-3 20: 73 355 267 356 268 357 269 74 193 358 253 251 339 179 154 323 75 359 59 325 0.927 18.13 -169.2 80 99 88 99 355 84.3 17.819 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN M4942-N1002 ? Pyranone 18.1236 1164.9 9.3 scans 66% 43 m/z (73) 0.43% 0.116% 2412 1.2 187 101423 5309341 4738929 3-3 18: 43 144 44 101 72 55 45 115 87 42 145 71 58 113 70 53 56 102 0.924 20.04 -225.6 74 97 88 97 144 79.3 18.027 -1.918 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1018 Contamination 12.25min 18.2258 1169.2 9.1 scans 8.7% 281 m/z (68) 4.9% 0.00388% 2428 2.0 33 8899 177680 166330 3-2 8: 281 282 283 193 265 191 207 249 0.541 12.25 16.1 87 95 57 94 281 25.2 57.937 5.975 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7045 1189.5 8.3 scans 77% 98 m/z 0.82% 0.0873% 2510 1.0 189 53358 3990091 3835663 1-1 20: 98 55 69 111 82 43 41 67 125 70 39 97 95 83 107 53 80 81 79 71 0.946 18.71 138.7 77 97 93 99 153 7.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8232 1194.5 8.9 scans 58% 70 m/z 1.2% 0.0616% 2530 1.2 152 36212 2817178 2548029 1-3 20: 70 55 83 41 43 69 57 84 39 81 96 56 67 98 42 68 72 93 54 94 0.802 18.83 141.8 71 94 83 98 122 4.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1189 1207.0 8.2 scans 48% 82 m/z 0.90% 0.0208% 2580 1.2 96 48310 951315 896033 1-1 10: 82 81 54 43 39 53 83 97 38 98 0.879 19.12 149.9 77 100 87 99 97 15.9 2.749 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8020 1235.8 9.7 scans 86% 57 m/z 0.093% 0.466% 2696 1.5 376 470853 21312533 19947320 7-4 20: 57 45 41 75 87 56 89 72 101 100 43 59 85 60 73 71 44 58 55 132 0.955 19.81 168.3 79 98 96 100 144 8.6 0.052 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3138 1257.4 9.7 scans 49% 57 m/z (131) 1.7% 0.0243% 2783 1.2 86 25062 1114683 1016168 4-2 13: 57 43 71 85 41 56 170 98 140 42 72 127 113 0.895 20.32 -0.3 93 98 90 97 170 11.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1034 ? Decanal 20.5257 1263.9 8.1 scans 82% 57 m/z 0.35% 0.233% 2818 0.9 297 122172 10690763 9761152 5-2 19: 57 41 43 55 70 82 71 68 83 56 44 67 112 81 69 96 42 84 39 0.949 20.57 -143.1 79 99 98 99 138 15.4 0.271 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9360 1276.2 11.1 scans 74% 94 m/z (81) 0.24% 0.134% 2888 1.8 187 179402 6154321 5613641 2-2 5: 94 138 66 45 139 0.964 20.98 191.2 73 93 91 100 152 12.7 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9903 1277.8 8.6 scans 74% 137 m/z 0.24% 0.269% 2898 1.1 317 181682 12309241 11351117 3-1 15: 137 152 109 123 81 67 91 79 41 93 55 39 119 53 153 0.933 21.00 192.5 61 81 71 80 155 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2630 1286.0 >6 scans 41% TIC 2.9% 0.00984% 2943 4.5 99 14709 449875 429531 0-2 0.877 16.82 -5.4 78 81 76 81 124 3.1 0.000 4.448 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4431 1291.4 6.6 scans 13% 147 m/z 3.7% 0.00561% 2974 1.0 53 11695 256590 239009 2-1 13: 147 281 73 282 207 249 369 283 371 370 74 265 191 0.728 21.56 -147.3 75 98 70 96 369 14.2 0.000 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0057 1308.3 8.4 scans 13% 175 m/z (138 98) 0.99% 0.0203% 3070 1.0 85 44030 930273 858343 2-3 8: 175 190 176 115 66 64 159 116 0.641 22.01 207.9 67 94 66 96 190 22.6 7.097 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9006 1335.1 8.9 scans 45% 69 m/z (60) 0.14% 0.298% 3221 1.1 301 293386 13642362 12011256 5-5 10: 69 43 109 86 110 128 67 127 95 111 0.904 22.91 221.5 70 95 87 94 127 35.3 1.373 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1040 ?? Nonanoic acid 22.9466 1336.5 18.2 scans 47% 60 m/z (102) 0.29% 0.356% 3229 0.2 253 146839 16270918 14782257 1-4 19: 60 57 73 115 55 85 129 71 87 98 61 45 99 84 101 74 70 56 130 0.608 22.70 -138.8 63 89 72 97 158 17.3 0.468 0.251 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8345 1363.2 10.1 scans 27% 57 m/z (72) 1.5% 0.0283% 3379 1.1 86 28713 1294535 1209780 2-2 7: 57 85 71 70 184 56 154 0.792 23.86 -0.8 80 88 68 86 184 11.2 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0836 1371.4 8.0 scans 77% TIC 0.097% 0.330% 3421 1.1 357 450153 0.367% 15092756 13614614 16771868 0-4 0.910 24.17 -152.4 79 99 90 99 429 103.0 8.335 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.5411 1386.7 7.7 scans 52% 71 m/z 0.68% 0.0418% 3499 1.4 133 64458 1912069 1761090 1-2 15: 71 57 85 43 84 70 113 127 99 56 126 72 169 112 86 0.806 20.36 -13.5 68 74 67 73 170 6.5 0.000 4.183 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5417 1386.7 7.4 scans 63% TIC 0.69% 0.0350% 3499 1.3 146 63038 0.0460% 1603276 1494771 2102196 1-0 0.893 24.54 249.4 78 99 89 98 169 16.8 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1923 1408.4 7.7 scans 44% 43 m/z 0.41% 0.0315% 3609 1.0 114 106309 1442290 1278359 5-5 13: 43 103 145 116 115 86 61 44 73 74 146 117 104 0.916 25.24 -151.5 78 100 94 99 145 40.4 12.458 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4119 1415.8 15.3 scans 82% TIC 0.061% 0.653% 3646 2.5 380 711330 29874628 28617826 1-1 0.946 25.89 258.8 76 95 88 95 162 95.8 6.342 -0.480 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4680 1451.0 8.3 scans 46% 189 m/z (267) 2.5% 0.0296% 3826 1.1 103 17515 1354295 1237998 0-2 15: 189 69 204 121 190 91 105 77 161 159 145 119 205 147 160 0.849 45.98 -28.7 61 66 47 69 204 28.3 7.503 -19.507 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0984 1472.1 6.6 scans 53% 221 m/z 0.92% 0.0311% 3932 1.0 122 47355 1421665 1300010 2-3 20: 221 73 147 281 267 223 355 148 224 282 222 283 74 191 149 339 356 268 75 269 0.881 27.12 297.2 77 98 85 97 355 22.3 3.357 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 8.0 scans 75% 57 m/z (149) 0.30% 0.123% 3944 1.0 216 142072 0.184% 5639917 5319867 8408784 2-0 18: 57 71 43 85 41 56 55 70 113 99 198 84 42 141 98 112 72 127 0.973 27.21 -1.3 94 96 97 98 198 24.2 1.258 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2071 1513.3 8.1 scans 56% 121 m/z 0.56% 0.0772% 4120 1.0 179 77992 3531483 3185353 2-2 20: 121 161 93 123 136 43 176 119 95 105 79 91 179 81 107 77 109 106 122 133 0.835 27.02 339.9 68 88 64 88 208 2.0 0.000 1.190 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6593 1530.3 8.1 scans 85% 43 m/z (166) 0.055% 0.729% 4196 1.0 512 793856 33345845 30444321 8-9 19: 43 69 41 151 136 107 67 125 93 109 83 53 121 39 68 81 108 91 77 0.995 28.67 332.9 78 99 99 100 194 30.0 0.344 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0926 1546.6 7.6 scans 80% 71 m/z 0.10% 0.447% 4270 1.0 441 413763 0.536% 20458918 19580498 24495154 1-0 20: 71 57 43 85 41 70 55 177 113 56 141 99 112 84 220 97 69 183 149 42 0.945 29.09 342.9 77 98 92 98 220 52.2 1.400 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5341 1563.2 11.3 scans 92% 281 m/z 0.0094% 7.26% 4345 0.3 1456 4646139 332222995 318592015 2-1 20: 281 73 147 341 221 503 328 325 74 133 191 59 117 205 295 323 402 177 85 132 0.963 29.61 -149.9 78 98 92 98 503 237.5 2.665 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6611 1568.0 8.7 scans 79% 177 m/z 0.025% 1.15% 4366 0.8 660 1743567 52853100 48387425 2-1 20: 177 43 178 135 91 93 77 121 105 107 79 149 133 122 159 41 95 119 192 109 0.909 29.68 355.5 61 83 65 81 192 78.5 1.412 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7620 1571.8 7.9 scans 82% 123 m/z 0.022% 0.765% 4383 0.9 548 1926070 34983066 31394612 1-4 20: 123 43 135 124 107 91 95 79 109 41 77 55 39 81 93 67 97 53 125 105 0.975 29.77 357.8 79 99 97 99 193 43.9 0.642 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9391 1578.4 8.6 scans 68% 71 m/z 0.12% 0.340% 4413 0.8 346 357307 15577427 14856241 1-1 20: 71 85 57 43 99 113 69 127 84 41 55 70 155 56 83 86 112 42 141 58 0.896 29.94 362.0 71 91 87 91 254 9.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1664 1587.0 7.6 scans 62% 57 m/z (82) 0.46% 0.107% 4452 1.1 207 95198 0.164% 4898922 4898922 7494786 0-0 20: 57 85 71 43 41 99 55 84 113 70 69 56 127 98 155 183 112 168 72 83 0.954 30.38 -7.9 81 85 94 85 212 2.9 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4875 1599.5 7.9 scans 83% 191 m/z 0.031% 0.554% 4506 1.1 476 1388190 25328941 23721209 2-3 20: 191 206 192 57 74 163 41 175 91 115 107 73 88 77 207 128 161 105 117 121 0.972 30.50 374.7 80 100 97 100 206 125.5 6.936 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8270 1613.8 8.5 scans 22% 124 m/z (162) 0.99% 0.0319% 4564 0.8 106 44288 1458599 1366657 4-3 4: 124 137 180 138 0.884 30.81 384.4 68 92 83 92 180 30.3 8.185 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8642 1615.4 9.4 scans 60% 162 m/z (179) 0.29% 0.148% 4570 1.1 218 148615 6765391 6428017 1-2 19: 162 147 161 163 91 77 148 145 51 103 115 131 133 63 65 89 78 66 50 0.923 30.88 -0.6 85 89 77 89 204 16.3 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2237 1630.5 11.6 scans 86% TIC 0.038% 1.50% 4631 0.6 643 1141543 1.65% 68905166 60829525 75404858 3-4 0.967 31.18 395.5 77 97 95 98 180 136.7 4.520 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5112 1642.6 10.0 scans 62% TIC 0.28% 0.103% 4679 1.3 202 156563 4730598 4559558 1-0 0.804 31.52 -0.1 95 97 82 96 166 40.4 3.992 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7892 1654.2 9.0 scans 16% 193 m/z (57) 1.3% 0.0144% 4726 0.7 69 31554 658826 585442 4-6 6: 193 208 197 175 194 195 0.779 31.80 -0.3 66 72 35 77 208 16.5 5.817 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9161 1659.6 8.1 scans 57% 71 m/z (109) 1.0% 0.0829% 4748 0.5 159 42511 3791667 3521231 1-1 19: 71 83 57 82 85 55 43 69 41 99 70 113 111 126 127 56 155 112 97 0.910 31.92 -0.1 83 90 91 90 219 2.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0495 1665.2 6.6 scans 33% 221 m/z 0.84% 0.0333% 4771 0.8 126 52011 1524588 1399567 2-1 18: 221 73 147 222 207 295 341 325 281 148 355 296 223 74 279 342 205 283 0.762 32.08 -1.2 94 97 87 96 355 21.1 2.817 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2320 1672.9 8.7 scans 68% 57 m/z (142) 0.42% 0.133% 4801 1.5 201 102925 6095265 5771130 1-2 18: 57 43 71 85 149 105 41 56 99 77 183 55 182 70 100 113 42 123 0.959 32.24 -0.2 89 92 92 96 226 7.3 0.131 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4344 1681.4 10.0 scans 53% 57 m/z (73) 0.68% 0.0904% 4836 0.7 159 64078 0.104% 4133628 3779230 4752791 0-2 17: 57 85 71 43 56 41 197 55 196 113 127 95 70 141 83 168 198 0.868 32.44 -0.3 84 92 87 91 226 5.4 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6664 1691.1 8.8 scans 72% 205 m/z (111) 1.1% 0.168% 4875 1.1 242 39351 7683459 7325796 1-1 19: 205 91 119 105 93 43 159 79 107 162 77 147 187 135 131 146 67 133 106 0.955 32.67 -0.4 94 96 93 98 220 13.6 0.315 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8719 1699.7 >11 scans 32% 109 m/z (149) 1.0% 0.0521% 4910 0.9 132 42372 0.118% 2382118 2382118 5392590 0-0 20: 109 145 91 135 120 81 116 107 134 165 69 83 160 166 79 131 66 148 41 119 0.872 32.87 0.2 69 75 78 81 186 4.8 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9315 1702.2 7.8 scans 65% 71 m/z 0.084% 0.178% 4920 0.9 266 522746 8135323 7157165 7-4 13: 71 43 159 111 56 243 72 155 173 143 98 89 73 0.911 32.93 -0.1 96 97 94 98 243 39.3 2.183 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0891 1708.9 7.8 scans 42% 179 m/z (180) 3.2% 0.0315% 4947 1.0 109 13403 1441693 1287600 2-1 8: 179 111 70 56 84 98 161 168 0.892 33.09 0.2 89 96 96 98 224 4.6 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3046 1717.9 7.5 scans 72% 57 m/z (121) 0.30% 0.133% 4983 0.8 223 143967 6116588 5466402 3-2 18: 57 71 43 85 41 55 99 56 70 113 226 84 42 112 155 141 72 58 0.970 33.37 -2.9 86 87 95 98 226 23.7 1.134 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8335 1727.4 7.6 scans 14% 232 m/z (131) 1.4% 0.0130% 5072 0.8 70 29795 596942 554792 3-2 7: 232 218 233 219 129 87 201 0.803 33.83 452.7 68 91 66 95 232 29.0 16.956 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8896 1728.2 7.5 scans 40% TIC 1.2% 0.0137% 5082 1.1 111 35042 0.0384% 630539 593033 1754877 0-1 0.831 33.90 -0.1 92 96 80 92 197 22.1 3.982 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2538 1733.4 >11 scans 28% 181 m/z (174) 1.8% 0.0256% 5144 1.5 89 24299 1169896 993706 1-1 16: 181 183 56 113 41 163 128 54 97 63 169 82 114 39 79 196 0.820 34.27 -0.2 80 88 76 93 211 14.1 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4286 1735.9 >4 scans 92% TIC 0.0083% 3.23% 5174 0.7 1510 5272130 12.2% 147974512 141800742 557538953 0-1 0.997 34.39 452.9 81 100 99 100 415 183.6 1.482 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7987 1741.2 13.8 scans 88% 91 m/z 0.027% 1.71% 5236 0.3 638 1607663 78288863 71644793 1-2 20: 91 155 90 199 65 184 92 44 89 120 137 63 106 39 77 64 156 51 200 134 0.986 34.79 452.2 81 100 98 100 199 173.1 7.362 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9014 1742.7 8.3 scans 30% 68 m/z (71) 1.5% 0.0426% 5254 1.1 124 28745 1951335 1822830 1-5 1: 68 0.906 34.90 -0.0 92 96 96 98 224 14.1 1.288 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3495 1749.1 8.4 scans 75% 57 m/z (73) 0.31% 0.254% 5329 0.8 297 137958 11623678 10601351 3-1 20: 57 71 43 69 56 55 41 70 95 81 126 83 111 82 67 96 137 97 109 112 0.964 35.35 451.7 76 97 98 99 196 23.5 0.625 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6942 1754.0 9.1 scans 33% 123 m/z (57) 0.85% 0.0496% 5388 1.1 127 51575 2269755 2101274 2-2 16: 123 193 209 195 181 210 165 131 124 105 167 224 77 175 166 211 0.915 35.70 451.3 71 94 82 95 224 14.5 1.310 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9292 1757.4 9.5 scans 58% 55 m/z (85 198) 0.46% 0.209% 5428 1.6 235 95434 9571843 9110607 1-2 20: 55 97 83 65 220 69 105 119 92 44 41 93 111 67 70 82 159 56 133 109 0.906 35.94 451.0 70 96 85 96 238 6.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.4983 1765.5 6.7 scans 9.6% 221 m/z 1.4% 0.0178% 5524 1.2 92 30598 816055 764275 2-3 18: 221 73 147 295 197 281 222 296 212 297 223 341 208 148 327 342 371 213 0.540 36.58 449.0 66 96 68 93 369 15.8 2.947 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1943 1775.5 8.4 scans 22% 209 m/z (85) 1.3% 0.0244% 5642 1.2 94 32403 1115927 1023681 2-2 15: 209 224 181 166 167 189 105 103 179 191 194 193 89 178 104 0.833 37.20 449.2 72 95 85 99 224 29.0 9.443 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3011 1777.0 9.2 scans 60% 71 m/z (220) 0.66% 0.107% 5660 1.2 180 66377 0.157% 4904380 4488126 7174887 0-3 18: 71 85 57 43 99 113 55 41 84 69 127 169 70 56 155 141 111 112 0.955 38.91 -23.0 79 84 94 83 254 0.0 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0597 1787.8 8.3 scans 53% 57 m/z 0.54% 0.0598% 5789 0.9 163 81209 2733477 2611682 1-1 20: 57 71 85 43 56 41 55 99 113 224 127 69 70 226 83 141 98 86 225 58 0.823 38.06 448.1 76 98 82 96 225 29.3 3.236 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5609 1795.0 8.9 scans 78% 73 m/z 0.024% 3.61% 5874 0.9 1117 1781809 165107094 149267445 2-4 20: 73 429 147 221 355 430 281 341 431 207 356 148 295 267 282 325 459 327 283 402 0.836 38.59 446.9 80 99 79 99 429 356.7 10.211 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8041 1798.5 10.6 scans 50% 71 m/z (176) 1.0% 0.0645% 5915 1.5 138 43681 2951700 2814871 1-1 20: 71 85 239 127 55 41 126 211 99 69 113 240 84 212 141 59 155 83 210 238 0.911 36.21 -52.4 69 85 89 84 240 12.5 0.821 2.593 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4517 1867.2 7.9 scans 53% 74 m/z 0.57% 0.0600% 6025 1.0 157 76177 2743308 2576358 2-3 16: 74 87 43 75 143 213 228 60 256 59 199 129 101 185 73 211 0.831 39.45 505.7 77 99 83 99 256 20.7 1.736 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8531 1916.9 15.1 scans 97% TIC 0.014% 12.0% 6093 0.2 1649 2971502 12.2% 550486260 542606791 557538953 1-2 0.996 39.94 547.8 81 100 99 100 278 95.9 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9169 1924.8 6.5 scans 69% 58 m/z (189) 0.37% 0.147% 6103 1.3 262 118545 6732011 6372051 0-2 13: 58 43 59 71 55 85 109 110 95 124 56 250 113 0.984 39.88 556.5 76 98 98 99 250 24.5 0.876 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3183 1974.6 7.8 scans 55% 149 m/z 0.13% 0.0858% 6171 1.0 187 319410 3924983 3644300 2-3 14: 149 150 223 104 76 167 205 65 105 121 132 50 151 224 0.873 40.31 599.7 78 98 84 98 223 40.1 4.614 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N406_R~1-N1110 ? Phytol 40.3915 1983.7 8.2 scans 44% 81 m/z (138 132) 2.1% 0.0477% 6183 1.0 127 20186 0.0616% 2182470 2004583 2815115 4-0 12: 81 95 82 123 79 68 124 110 137 67 96 53 0.916 40.66 -33.5 75 87 89 92 278 12.0 0.895 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1254 Phytol 40.8514 2040.7 7.7 scans 71% 82 m/z (197) 1.0% 0.0931% 6262 0.9 190 41508 4256199 4078299 1-2 19: 82 81 95 68 123 57 43 69 71 83 67 55 79 41 97 124 278 109 53 0.969 40.87 -2.0 95 99 97 98 278 20.8 1.194 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0013 2059.3 7.8 scans 31% 138 m/z 1.5% 0.0242% 6287 1.0 102 28401 1107124 1041571 1-2 12: 138 109 120 121 124 139 65 262 93 110 140 263 0.740 41.00 673.5 76 99 75 98 262 14.2 1.953 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2475 2089.8 8.0 scans 42% 79 m/z 1.1% 0.0469% 6328 1.0 142 39542 2146131 1931776 2-2 18: 79 67 93 95 80 108 121 91 81 94 107 77 134 83 135 122 59 87 0.671 41.26 -1.2 92 95 73 92 264 10.6 0.553 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4559 2115.6 8.7 scans 90% TIC 0.14% 0.788% 6364 0.7 540 309663 36019310 34548956 4-1 0.975 41.49 -81.0 85 100 97 100 276 34.0 0.397 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6330 2127.4 9.8 scans 53% 69 m/z (136) 0.44% 0.107% 6394 0.8 183 97669 4904646 4544764 5-2 14: 69 41 81 67 107 95 79 68 121 91 53 161 94 123 0.888 41.75 729.9 64 91 83 93 272 6.5 0.000 -0.117 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.6737 2129.7 >7 scans 3.4% 92 m/z 13% 0.00118% 6400 999.0 31 3323 0.00275% 54356 54356 125675 0-0 5: 92 80 97 52 96 0.048 42.05 -20.9 65 91 12 88 272 4.6 2.318 -0.371 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0155 2148.9 8.5 scans 95% 74 m/z 0.016% 2.39% 6459 0.7 945 2624480 109316669 104264294 2-2 20: 74 87 43 55 143 75 41 227 69 270 57 83 129 59 97 185 101 88 171 199 0.993 42.01 746.9 81 100 99 100 272 21.5 0.052 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3431 2167.3 8.5 scans 81% 73 m/z 0.14% 0.256% 6514 1.3 307 295302 11731459 10977003 2-3 20: 73 147 221 281 355 429 207 341 282 148 222 74 283 430 356 504 503 295 431 505 0.954 42.37 758.3 76 96 96 99 503 46.2 2.259 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2759 2219.6 >10 scans 9.7% TIC 7.6% 0.000537% 6672 0.0 29 5716 0.000949% 24525 24525 43369 0-0 0.423 43.31 -1.8 62 67 15 66 278 10.3 12.451 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3131 2278.4 7.1 scans 12% 221 m/z (109) 12% 0.00191% 6848 1.0 29 3536 87465 79975 3-2 11: 221 73 295 207 74 222 147 282 369 223 149 0.555 44.32 831.1 68 98 59 94 369 6.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8066 2364.3 7.4 scans 52% 73 m/z 1.4% 0.0186% 7101 1.2 88 29555 851795 794181 2-1 20: 73 355 147 221 281 283 356 357 399 207 295 429 282 430 74 358 503 415 148 461 0.773 45.78 1.7 92 93 72 91 503 9.2 1.082 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9152 2370.6 16.8 scans 23% 74 m/z (67) 4.0% 0.00740% 7120 1.2 50 10864 0.0116% 338256 331021 530119 1-0 10: 74 87 255 75 143 185 101 199 213 298 0.771 45.92 891.9 60 88 63 86 298 9.3 3.481 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1012 2381.3 8.2 scans 80% 79 m/z 0.34% 0.209% 7151 1.1 283 127104 9567728 8806626 1-7 20: 79 67 95 93 80 81 108 55 41 91 94 107 77 121 69 109 59 68 149 122 0.928 46.13 -1.9 97 99 93 98 292 19.5 0.477 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN HCMIX_~1-N1022 ? Henicosane 46.1838 2386.0 8.8 scans 27% 57 m/z (84) 2.8% 0.0128% 7165 1.3 60 15347 0.0196% 586381 447080 895718 3-4 13: 57 71 43 85 169 99 155 113 127 140 58 141 168 0.859 46.28 -5.7 70 76 57 72 296 5.5 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4259 2400.0 8.6 scans 18% 177 m/z (105) 10% 0.00420% 7206 1.0 37 4223 192248 162738 2-2 5: 177 121 107 133 178 0.518 46.49 -4.0 79 87 44 83 290 5.7 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7588 2419.1 9.1 scans 32% TIC 1.7% 0.0115% 7262 1.1 68 24454 526280 481889 2-4 0.551 46.76 924.0 72 94 52 92 298 15.4 5.124 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9519 2545.4 7.9 scans 48% 73 m/z 3.1% 0.00820% 7633 1.3 56 13842 375016 339132 3-7 20: 73 147 355 429 221 281 430 356 283 222 223 341 325 208 74 401 415 267 431 205 0.678 48.95 995.0 74 99 66 96 429 17.1 9.195 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6379 2872.5 8.2 scans 36% 73 m/z (71) 9.9% 0.00323% 8597 1.1 34 4429 147966 137900 2-0 7: 73 147 355 221 295 356 148 0.684 45.81 1396.0 66 93 69 90 503 5.8 2.922 8.826 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1027 771.1 5.4 scans 85% 77 m/z (56) 0.057% 0.182% 37 3.7 269 761421 0.192% 7508988 6915518 7881134 0-7 14: 77 45 78 79 62 76 59 75 63 47 46 92 58 64 0.995 4.37 17.1 99 100 100 100 77 229.2 72.646 -0.268 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.1765 825.1 9.1 scans 68% 57 m/z (72) 1.1% 0.0204% 388 0.3 74 39012 0.0302% 840230 784203 1239637 1-0 11: 57 41 39 59 45 56 58 83 102 87 55 0.929 6.03 -136.5 76 99 96 99 102 8.8 1.401 0.144 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5933 835.9 15.7 scans 78% 207 m/z 0.43% 0.0692% 459 2.8 110 99471 2842093 2665173 1-2 20: 207 208 209 96 191 133 177 87 163 193 119 134 147 75 115 161 194 176 135 81 0.891 6.53 -140.9 80 100 89 99 207 82.8 56.568 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6901 864.5 8.6 scans 84% 69 m/z (96) 1.2% 0.0684% 644 1.8 141 34344 0.0847% 2810192 2725686 3476730 1-0 19: 69 55 41 83 42 39 57 98 70 97 43 56 53 79 54 51 65 38 68 0.981 7.71 9.2 98 100 98 99 98 28.8 4.169 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2286 982.6 9.3 scans 38% 281 m/z 0.42% 0.0512% 1413 2.4 120 103131 2105200 2029788 0-3 20: 281 282 283 108 284 41 125 177 55 249 191 193 69 72 68 266 133 58 134 93 0.515 12.22 36.3 92 99 77 99 281 84.3 49.783 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6802 994.4 9.2 scans 85% 81 m/z (121) 0.28% 0.124% 1489 1.8 174 152407 5124839 4640821 2-3 19: 81 110 53 39 41 79 67 68 65 77 82 51 66 95 50 63 54 40 109 0.983 13.22 30.8 93 96 96 99 110 50.7 8.479 -0.542 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1022 ? Octanal 12.9358 1001.1 7.6 scans 62% 57 m/z (103) 2.8% 0.0340% 1533 1.4 102 14985 1396922 1223547 3-4 16: 57 43 84 56 44 41 55 69 42 82 68 85 39 67 72 108 0.859 12.96 -173.7 72 99 92 99 110 11.4 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1016 Limonene 13.9093 1027.5 8.2 scans 48% 68 m/z 1.9% 0.0251% 1698 1.2 92 22773 1033393 967907 1-3 16: 68 93 67 136 79 94 53 107 92 57 123 80 121 91 81 82 0.644 13.89 52.2 84 98 78 97 136 19.3 4.375 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1289 1033.4 11.3 scans 93% 79 m/z 0.025% 2.46% 1735 0.6 744 1696062 101128246 87199152 3-7 20: 79 108 107 77 51 91 78 50 80 90 89 109 39 65 63 53 52 105 74 76 0.996 14.11 54.4 92 100 100 100 108 329.0 19.531 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4571 1042.3 8.9 scans 83% 91 m/z 0.10% 0.205% 1791 1.4 244 421016 8446774 7463175 2-5 19: 91 92 120 65 63 39 89 51 62 50 90 121 64 74 38 52 61 41 76 0.981 14.44 57.5 91 100 99 100 120 79.3 10.545 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1797 1061.9 10.0 scans 89% 105 m/z 0.081% 0.449% 1913 1.8 320 529990 18448031 17045009 2-2 20: 105 77 123 51 46 106 50 78 74 124 76 75 94 52 67 79 109 66 39 53 0.969 15.17 64.5 89 100 98 100 123 113.2 12.522 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4335 1068.7 8.8 scans 64% 95 m/z 0.45% 0.0759% 1956 1.2 157 96042 3117059 2821922 2-1 19: 95 81 124 43 79 53 109 39 82 41 65 67 96 66 51 63 110 125 50 0.870 15.43 67.0 87 100 94 100 124 46.7 8.846 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1002 Undecane 16.6106 1101.0 8.3 scans 47% 57 m/z 1.6% 0.0215% 2156 1.0 87 25596 884926 786601 2-1 19: 57 43 71 85 41 56 55 70 284 253 93 84 99 252 269 98 127 194 42 0.840 16.59 1.0 90 97 87 96 156 11.8 1.844 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1016 Nonanal 16.7865 1108.4 9.0 scans 82% 57 m/z 0.38% 0.210% 2185 1.2 245 113942 8625845 7592390 6-4 19: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 42 39 54 83 0.960 16.82 86.0 81 98 95 97 124 15.2 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9678 1116.1 >7 scans 76% TIC 0.64% 0.0456% 2216 0.5 150 67680 1874306 1787834 1-0 0.970 16.97 91.4 79 97 95 99 128 34.3 5.212 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0900 1121.2 11.0 scans 94% 91 m/z 0.012% 2.55% 2237 0.6 783 3371458 104759400 97202240 2-6 20: 91 92 122 65 77 51 63 39 78 93 89 103 104 123 50 62 90 52 79 74 0.996 17.05 95.2 82 99 97 100 122 264.8 11.450 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0717 1162.7 8.0 scans 47% 355 m/z 0.41% 0.0851% 2403 1.6 162 105501 3496406 3248285 2-2 17: 355 267 356 357 268 269 251 358 193 323 191 270 223 75 253 207 265 0.664 18.13 -169.0 79 99 56 98 355 85.3 27.593 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN M4942-N1002 ? Pyranone 18.1248 1165.0 >9 scans 86% 73 m/z 0.31% 0.132% 2412 2.2 229 136406 0.400% 5445459 5257038 16419030 0-1 20: 73 223 154 71 104 122 137 103 163 65 70 40 84 265 177 50 81 99 121 110 0.971 20.04 -225.5 78 97 96 99 144 93.0 16.508 -1.917 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1018 ? Pyranone 18.1419 1165.7 9.1 scans 70% 144 m/z (146) 0.31% 0.173% 2415 0.9 216 138355 7120732 6238248 2-5 18: 144 43 101 44 72 55 45 115 42 58 53 102 56 54 104 145 116 67 0.979 18.22 122.2 73 95 89 96 144 96.3 19.839 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1018 Contamination 12.25min 18.2204 1169.0 9.4 scans 6.6% 281 m/z (146) 5.4% 0.00332% 2428 1.2 33 7934 0.00407% 136335 131389 167064 1-0 5: 281 283 193 282 249 0.548 12.25 15.9 86 93 59 92 281 23.4 51.608 5.969 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.2494 1170.2 10.5 scans 46% 60 m/z (281) 2.8% 0.0380% 2433 0.9 96 15056 1559978 1344341 1-5 16: 60 85 69 41 97 55 88 56 87 73 98 89 40 70 45 61 0.786 19.87 101.9 68 91 84 94 144 3.9 0.000 -1.622 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2494 1170.2 10.5 scans 50% 60 m/z (110) 2.9% 0.0406% 2433 0.9 100 14627 1668772 1438097 1-5 16: 60 85 69 41 97 55 88 56 87 73 98 89 40 70 45 61 0.836 22.03 -138.9 61 78 88 97 175 0.0 0.000 -3.785 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7092 1189.7 8.6 scans 38% 43 m/z (121) 2.7% 0.0267% 2511 0.8 90 15773 1096528 997458 1-1 16: 43 98 111 69 82 100 97 95 125 126 70 110 85 71 112 63 0.630 18.71 138.9 70 95 78 97 153 3.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8297 1194.7 8.5 scans 64% 70 m/z 1.1% 0.0746% 2531 1.2 158 36759 3064423 2813145 2-3 20: 70 55 83 41 43 69 57 84 39 56 96 81 42 67 98 97 53 111 68 54 0.866 18.83 142.0 71 92 92 99 122 24.8 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.0133 1202.5 24.0 scans 39% TIC 1.3% 0.0285% 2562 0.5 81 31466 1173329 1107517 1-1 0.763 20.03 131.8 71 95 84 95 122 43.5 29.081 -1.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1236 1207.2 7.9 scans 26% 82 m/z 3.0% 0.00535% 2581 1.1 49 14138 219741 203506 1-1 7: 82 81 54 43 39 95 97 0.836 19.12 150.1 77 99 80 97 97 10.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1012 ?? Nicotine 19.7081 1231.8 8.8 scans 2.5% 133 m/z 15% 0.000512% 2680 1.3 14 2776 20997 18805 0-3 1: 133 1.000 25.78 76.5 61 100 100 100 162 0.0 0.000 -6.070 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7594 1234.0 12.4 scans 27% 119 m/z (126) 2.5% 0.0141% 2689 1.2 52 16856 579652 509085 4-2 4: 119 91 65 134 0.785 13.76 34.5 71 79 67 80 134 19.1 13.306 6.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8120 1236.2 10.0 scans 66% 57 m/z 0.45% 0.0946% 2698 2.0 158 94566 3886647 3472405 2-3 18: 57 45 41 75 87 56 89 100 59 72 101 60 85 33 58 73 44 132 0.891 19.81 168.7 78 99 92 99 144 4.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3155 1257.5 9.0 scans 51% 57 m/z (131) 2.3% 0.0182% 2783 1.2 73 18346 749610 711710 4-1 16: 57 71 43 85 41 170 56 98 70 84 113 127 112 42 140 86 0.924 20.32 -0.2 94 98 91 97 170 9.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1034 ? Decanal 20.5245 1263.8 8.2 scans 74% 57 m/z 0.43% 0.199% 2818 0.8 251 100182 8179947 7410941 3-3 19: 57 41 55 70 82 71 68 56 83 44 112 67 81 69 96 42 84 39 45 0.912 20.57 -143.2 78 99 92 98 138 13.7 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1024 ?? Hexadecane 20.7760 1271.4 7.7 scans 31% 57 m/z (45) 3.1% 0.00960% 2861 0.8 55 13990 394359 348881 2-1 9: 57 71 41 99 150 98 56 70 113 0.726 33.32 4.4 64 76 77 74 226 0.0 0.000 -12.543 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9407 1276.3 >9 scans 78% TIC 0.19% 0.108% 2889 0.8 197 217366 0.221% 4449312 4069058 9071514 8-0 0.975 20.98 191.3 78 97 94 99 152 3.7 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2784 1286.5 8.6 scans 18% 56 m/z (283) 3.9% 0.0164% 2946 0.9 71 10997 673440 632025 0-1 9: 56 57 70 71 85 55 111 72 67 0.880 16.82 -4.9 60 68 54 69 124 4.9 0.000 4.463 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4395 1291.3 6.8 scans 11% 147 m/z 3.5% 0.00736% 2973 1.1 54 12091 302269 287330 1-2 12: 147 281 73 369 282 148 265 283 191 370 249 371 0.752 21.56 -147.4 74 97 74 96 369 14.8 7.468 -0.118 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0092 1308.4 8.2 scans 10% 175 m/z 1.2% 0.0100% 3070 1.0 58 35344 414073 393904 2-1 7: 175 190 176 116 64 159 191 0.603 22.01 208.0 70 96 57 95 190 20.4 12.463 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9012 1335.2 8.2 scans 20% 109 m/z (83) 0.63% 0.0762% 3221 1.0 150 68864 3128729 2746075 5-7 5: 109 86 110 128 170 0.961 22.91 221.6 68 92 90 92 127 16.3 1.185 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1016 ?? Nicotine 23.2814 1346.6 >1 scans 9.3% 73 m/z 0.52% 0.0140% 3285 0.2 132 82537 0.142% 578548 534037 5828756 1-0 17: 73 60 61 96 97 98 116 102 68 141 117 88 72 100 127 37 138 0.570 25.35 197.4 60 86 46 83 162 0.0 0.000 -2.073 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.3014 1347.2 >21 scans 87% 60 m/z 0.10% 1.16% 3289 0.1 418 398094 47755369 43376131 1-7 20: 60 73 57 41 55 43 115 129 98 87 61 69 56 42 45 83 101 39 70 84 0.990 22.70 -128.1 77 94 94 99 158 28.3 0.459 0.605 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1006 ? Tridecane 23.8321 1363.1 8.9 scans 41% 57 m/z (123) 2.4% 0.0271% 3379 1.2 81 17656 1116210 972847 2-3 11: 57 85 71 69 184 56 84 70 83 147 141 0.804 23.86 -0.9 79 90 80 89 184 8.8 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0807 1371.3 7.2 scans 77% 73 m/z 0.098% 0.351% 3421 1.0 363 442456 14434870 13398638 2-4 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 45 75 148 432 251 191 0.921 24.17 -152.5 80 99 93 99 429 109.7 9.111 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5423 1386.7 6.5 scans 43% TIC 1.1% 0.0128% 3499 1.3 102 36238 0.0189% 528028 489691 775799 1-0 0.799 24.54 249.4 72 96 78 92 169 12.1 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6834 1391.4 7.9 scans 62% 43 m/z 0.89% 0.0441% 3523 0.9 133 48748 1811348 1640578 1-7 20: 43 83 69 41 142 82 58 113 56 85 111 71 39 127 70 67 93 57 128 42 0.918 24.70 251.8 71 90 83 97 170 4.3 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1940 1408.5 7.9 scans 40% 43 m/z (85) 0.88% 0.0222% 3610 1.0 81 49017 911364 817865 5-5 7: 43 103 115 86 61 74 146 0.935 25.24 -151.4 77 99 98 100 145 29.7 13.600 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5712 1421.1 9.1 scans 76% 84 m/z 0.15% 0.177% 3673 1.4 228 277014 7296552 6897974 1-3 20: 84 133 162 42 119 118 161 92 82 130 78 65 117 134 51 85 163 120 39 159 0.932 25.89 264.1 74 94 85 93 162 60.5 7.044 -0.321 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7867 1428.3 7.7 scans 56% 93 m/z (85) 0.68% 0.0560% 3710 1.1 139 63383 2300588 2118311 2-1 16: 93 136 121 43 91 194 77 81 79 94 123 107 108 137 122 125 0.956 25.78 273.0 76 99 93 99 194 20.8 2.239 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5063 1452.3 7.4 scans 22% 355 m/z (154) 4.4% 0.0116% 3831 1.2 63 9725 478666 453452 1-4 10: 355 73 267 68 356 358 268 357 163 249 0.730 18.09 410.7 61 87 45 96 355 21.0 11.065 8.414 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0978 1472.1 6.7 scans 61% 221 m/z 0.81% 0.0410% 3932 1.1 129 53273 1683929 1608717 1-2 19: 221 73 147 281 222 267 355 223 148 282 249 443 283 268 149 205 444 284 356 0.871 27.12 297.2 77 98 85 97 355 24.9 3.726 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1681 1474.4 7.8 scans 82% 57 m/z (163) 0.29% 0.153% 3944 1.1 223 148109 0.209% 6300999 5900341 8578943 2-0 20: 57 71 43 85 41 56 55 99 70 86 84 98 42 112 69 113 127 83 126 199 0.987 27.21 -1.4 96 98 98 98 198 24.5 1.206 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1032 ?? Myosmine 28.0376 1507.0 9.3 scans 21% 118 m/z 2.7% 0.0116% 4091 1.6 59 15774 478025 438139 2-2 10: 118 146 145 105 117 131 190 132 142 134 0.730 27.93 320.3 60 81 60 87 146 28.9 23.965 0.107 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6575 1530.3 7.9 scans 80% 43 m/z (163) 0.13% 0.339% 4196 1.0 324 326319 13934576 12213258 8-10 18: 43 69 41 151 136 107 125 67 93 109 53 39 81 121 79 108 91 77 0.987 28.67 332.9 78 99 99 99 194 19.5 0.364 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0896 1546.5 7.5 scans 59% 71 m/z 0.15% 0.300% 4269 1.2 335 282690 0.335% 12336069 11838354 13750937 1-0 20: 71 57 43 85 177 41 70 55 220 141 113 56 99 112 135 149 84 69 183 67 0.705 29.09 342.8 73 99 74 95 220 58.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5052 1562.1 8.4 scans 93% TIC 0.021% 2.58% 4340 1.1 912 2036715 106120951 102190613 1-2 0.981 29.61 -151.0 80 99 97 99 503 152.7 2.802 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7531 1571.4 8.1 scans 64% 123 m/z 0.090% 0.186% 4382 0.9 253 481690 7641841 6961126 1-4 14: 123 135 124 107 91 95 79 109 77 81 93 125 105 193 0.895 29.77 357.4 79 99 90 98 193 22.0 0.755 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9350 1578.3 8.7 scans 72% 71 m/z (181) 0.21% 0.280% 4412 1.0 270 200650 11531070 10876867 1-1 15: 71 85 57 43 99 113 127 84 70 155 69 169 56 112 100 0.987 29.94 361.9 76 98 97 99 254 7.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 30.1634 1586.9 7.4 scans 45% 57 m/z (164) 0.86% 0.0603% 4451 1.3 147 49981 0.0904% 2479246 2479246 3710701 0-0 20: 57 71 85 43 41 99 56 84 70 113 154 55 98 127 155 183 169 42 126 197 0.897 30.38 -8.0 78 82 92 83 212 1.9 0.000 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4934 1599.8 8.2 scans 90% TIC 0.020% 0.942% 4507 0.9 576 2090514 38707466 36514513 2-6 0.988 30.50 375.0 81 100 99 100 206 152.6 7.019 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8128 1613.2 8.6 scans 33% 124 m/z (99) 1.0% 0.0399% 4561 1.0 110 40980 1641723 1557431 2-2 6: 124 137 180 125 138 168 0.618 30.81 383.8 71 95 85 95 180 28.9 6.914 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8718 1615.7 9.0 scans 25% TIC 0.46% 0.0510% 4571 0.9 134 93156 2096725 1504123 10-2 0.374 30.88 -0.3 86 94 38 88 204 42.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1959 1629.3 9.2 scans 76% TIC 0.11% 0.412% 4626 0.8 370 391843 16924321 15840557 2-0 0.962 31.18 394.3 78 98 95 98 180 80.3 4.707 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5052 1642.3 9.8 scans 57% 43 m/z (165) 0.51% 0.0908% 4679 1.2 156 83647 3728483 3505541 1-1 20: 43 98 111 127 151 55 85 71 82 123 83 68 41 99 107 67 58 166 81 39 0.930 31.52 -0.4 94 98 92 98 166 31.2 3.986 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6327 1647.7 9.0 scans 46% 71 m/z (122) 1.1% 0.0610% 4700 1.3 132 38413 2506615 2288675 1-2 19: 71 57 85 43 99 84 113 41 211 127 155 55 183 70 69 42 56 169 58 0.828 31.63 -0.0 69 91 79 87 429 8.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8093 1655.1 7.6 scans 14% 93 m/z (85) 4.7% 0.0115% 4729 0.7 64 9108 476010 476010 0-0 18: 93 59 161 162 163 78 67 91 121 107 68 95 81 109 137 135 119 131 0.657 31.80 0.6 67 72 46 93 208 9.7 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9220 1659.8 7.9 scans 52% 83 m/z (143) 0.55% 0.0781% 4749 0.9 160 78214 3206437 2920362 4-1 6: 83 82 55 210 155 54 0.977 31.92 0.1 73 76 86 81 219 4.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0672 1665.9 6.9 scans 27% 221 m/z 0.91% 0.0317% 4773 0.9 112 47623 1302543 1200371 4-2 19: 221 73 147 207 295 222 341 355 223 167 281 342 325 296 148 356 74 283 267 0.855 32.08 -0.5 95 97 82 96 355 20.7 3.426 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4368 1681.5 8.2 scans 70% 57 m/z (105) 0.32% 0.165% 4836 1.1 228 133640 6806107 6323828 1-2 20: 57 71 85 56 43 41 197 55 196 99 113 69 70 127 111 83 168 141 42 97 0.952 32.44 -0.2 85 90 92 90 226 9.3 0.164 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6759 1691.5 8.5 scans 85% 205 m/z (153) 0.44% 0.449% 4877 0.9 373 96565 18460057 17480334 2-1 20: 205 91 119 105 43 159 93 79 162 107 147 77 41 187 131 106 145 133 69 146 0.984 32.67 0.0 94 94 93 98 220 22.7 0.371 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8612 1699.3 8.1 scans 46% 70 m/z (149 59) 0.47% 0.121% 4908 1.4 188 90471 4994485 4485828 6-3 4: 70 97 96 195 0.863 32.87 -0.2 75 82 85 86 186 2.7 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9285 1702.1 8.1 scans 48% 71 m/z (177 59) 0.17% 0.114% 4920 0.6 181 249365 4718154 4376269 2-1 12: 71 43 159 155 243 72 173 143 89 244 215 229 0.939 32.93 -0.2 94 97 98 100 243 28.4 2.467 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0838 1708.6 8.1 scans 38% 83 m/z (114) 2.0% 0.0613% 4946 1.0 123 21672 2519267 2028103 2-7 18: 83 97 55 70 69 57 56 41 43 84 98 82 68 151 39 125 42 54 0.875 33.09 -0.1 89 98 90 97 224 6.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 8.3 scans 68% TIC 0.29% 0.109% 4984 0.9 220 147724 0.161% 4480511 4167996 6608659 0-2 0.953 33.37 -2.8 87 89 92 91 226 25.1 1.299 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8908 1728.2 6.2 scans 21% 71 m/z (208) 2.7% 0.0137% 5083 0.9 78 15638 564149 564149 0-0 20: 71 85 57 43 70 225 113 196 99 168 41 124 55 69 56 42 84 220 97 83 0.784 33.90 -0.1 87 98 89 96 197 15.4 3.895 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.4 scans 43% 57 m/z (173) 0.70% 0.0591% 5147 1.0 147 62024 2428657 2343059 1-1 16: 57 71 85 43 211 41 98 210 56 182 113 127 183 162 202 119 0.913 34.27 0.1 88 92 90 98 211 25.6 3.049 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3725 1735.1 9.2 scans 83% 355 m/z 0.010% 5.29% 5164 0.7 1268 4239634 217539801 209435232 2-1 20: 355 73 221 147 356 281 401 282 222 415 327 267 283 207 403 148 74 385 325 149 0.860 34.39 452.1 81 100 82 100 415 166.7 1.731 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8961 1742.6 >22 scans 84% 91 m/z 0.016% 4.22% 5253 0.2 821 2660385 173548941 163135811 1-2 20: 91 155 199 90 65 92 89 44 137 63 106 39 77 200 51 134 78 107 66 62 0.993 34.79 453.6 80 99 98 99 199 232.7 8.039 0.110 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3512 1749.1 8.2 scans 74% TIC 0.26% 0.285% 5330 0.9 329 163130 11738174 10596724 3-1 0.937 35.35 451.7 78 100 95 99 196 30.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.5278 1751.6 12.7 scans 17% 82 m/z (195) 4.1% 0.0312% 5360 0.6 78 10504 1282340 1269330 0-1 15: 82 83 70 69 97 54 56 238 40 111 112 239 43 81 125 0.790 34.90 8.9 71 76 82 76 224 0.0 0.000 0.627 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6942 1754.0 9.0 scans 24% 123 m/z (177) 1.4% 0.0334% 5388 1.2 96 29738 1372866 1291369 2-4 16: 123 193 195 209 165 124 210 181 167 184 224 166 103 178 175 131 0.793 35.70 451.3 66 92 75 92 224 12.3 1.630 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1931 1775.4 8.4 scans 9.0% 209 m/z 1.8% 0.00876% 5642 1.1 56 22892 359841 338590 2-1 9: 209 167 152 210 239 165 178 179 212 0.504 37.20 449.1 69 94 47 91 224 24.6 19.551 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3100 1777.1 10.2 scans 52% 57 m/z (213) 0.92% 0.0984% 5662 1.0 153 47037 4040464 3513073 1-4 19: 57 71 43 84 55 225 41 224 113 69 83 70 56 210 169 211 72 97 111 0.910 38.91 -22.9 77 84 92 83 254 1.9 0.000 -1.600 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 8.0 scans 66% TIC 0.36% 0.100% 5788 1.0 209 118018 4137147 3953527 1-1 0.931 38.06 448.1 77 98 94 97 225 39.4 3.545 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5697 1795.1 9.3 scans 90% 73 m/z 0.032% 1.64% 5875 1.2 695 1344917 67725991 63156314 2-2 20: 73 147 221 355 430 281 341 431 207 222 74 148 342 282 267 295 325 223 459 343 0.981 38.59 447.0 80 100 98 100 429 199.3 8.236 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8047 1798.5 10.5 scans 46% 71 m/z (177) 0.76% 0.0828% 5915 1.4 147 57065 3400916 3143514 1-1 20: 71 85 43 55 99 210 69 113 197 84 70 142 141 83 183 155 86 169 58 128 0.790 36.21 -52.4 69 88 88 87 240 16.1 1.200 2.594 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4529 1867.3 8.1 scans 32% 74 m/z 0.97% 0.0302% 6024 1.1 101 44486 1241663 1187212 1-2 15: 74 87 75 143 256 213 157 171 199 59 225 129 88 102 257 0.690 39.45 505.8 72 97 66 93 256 16.9 2.786 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8035 1910.8 >7 scans 5.0% 250 m/z 0.26% 0.266% 6084 0.0 306 164969 0.922% 10943907 9854300 37845863 2-0 11: 250 280 37 265 62 149 182 192 100 142 205 0.147 40.66 530.3 60 84 15 82 278 65.2 4.547 -0.858 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8868 1921.1 19.9 scans 96% TIC 0.014% 17.0% 6098 0.2 1646 3022282 698822513 681057883 0-8 1.000 39.94 552.0 81 100 100 100 278 105.2 0.409 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9387 1927.5 5.8 scans 58% 58 m/z (218) 0.53% 0.0980% 6107 1.6 214 81309 4022952 3721751 0-10 11: 58 43 59 71 109 110 250 124 125 165 251 0.978 39.88 559.2 73 96 97 97 250 21.3 0.997 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3283 1975.8 7.8 scans 55% 149 m/z 0.12% 0.0983% 6173 1.1 186 344349 4037628 3908806 1-2 12: 149 150 223 104 76 167 205 65 105 132 50 151 0.863 40.31 600.9 78 99 80 98 223 41.9 5.093 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N406_R~1-N1110 ? Phytol 40.3927 1983.8 8.0 scans 35% 81 m/z (161) 1.6% 0.0456% 6184 1.1 117 26423 0.0573% 1872058 1679571 2352026 4-0 16: 81 95 82 123 68 79 124 109 96 67 278 137 94 110 53 163 0.775 40.66 -33.4 77 92 68 91 278 15.9 1.859 -0.269 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6176 2011.7 6.9 scans 27% 221 m/z 2.1% 0.0156% 6222 1.0 79 20337 640781 574351 2-4 20: 221 73 147 295 281 207 222 369 148 282 356 223 370 401 355 415 297 283 267 74 0.809 40.63 631.6 73 96 78 95 369 14.0 3.102 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1254 Phytol 40.8531 2040.9 7.9 scans 76% 82 m/z (165) 0.69% 0.141% 6262 1.1 213 62574 5819786 5400635 1-3 17: 82 95 81 68 123 57 43 83 71 69 67 79 96 41 109 124 110 0.972 40.87 -1.8 96 99 97 99 278 24.5 1.322 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0019 2059.4 8.3 scans 32% 138 m/z (97) 2.2% 0.0280% 6287 1.1 93 19671 1150671 1071125 2-2 13: 138 92 109 121 124 91 262 120 139 65 93 133 104 0.763 41.00 673.6 72 96 89 99 262 12.0 1.673 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2416 2089.1 7.8 scans 65% 79 m/z (191) 0.89% 0.0977% 6328 1.0 183 48309 4010442 3814182 1-1 18: 79 93 67 95 80 108 91 81 41 121 77 94 107 135 68 78 87 59 0.854 41.26 -1.9 93 97 90 98 264 11.8 0.421 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4381 2113.4 8.2 scans 72% 205 m/z 0.40% 0.253% 6361 0.8 296 106673 10412595 9643382 3-2 20: 205 57 217 175 177 189 220 55 232 91 41 203 191 192 109 77 233 161 67 115 0.877 41.49 -83.2 84 99 88 99 276 20.0 0.456 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6383 2127.7 9.6 scans 48% 69 m/z (43) 0.73% 0.0722% 6395 0.6 137 59281 2967665 2866485 2-1 15: 69 93 81 41 133 67 79 68 91 92 121 53 77 132 161 0.886 41.75 730.2 69 96 86 93 272 2.8 0.000 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0114 2148.7 8.2 scans 94% 74 m/z 0.021% 1.99% 6458 0.8 815 1984373 81804069 77109021 2-2 20: 74 87 143 43 55 75 41 227 270 69 129 239 59 97 101 185 88 199 171 241 0.992 42.01 746.7 80 100 99 100 272 18.7 0.052 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3526 2167.8 7.9 scans 73% 73 m/z 0.31% 0.127% 6516 1.0 210 137943 5236822 4943332 2-3 20: 73 147 281 221 355 429 503 207 282 222 148 283 74 430 356 504 415 295 267 505 0.923 42.37 758.8 76 97 93 99 503 34.6 2.719 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9901 2203.6 8.5 scans 41% TIC 0.65% 0.0237% 6624 1.0 102 66785 974001 929933 1-1 0.682 43.03 781.5 61 84 68 82 292 13.3 1.679 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8514 2252.0 8.8 scans 46% 57 m/z (149) 2.2% 0.0314% 6770 1.2 95 19413 1292920 1158220 1-4 19: 57 71 85 127 43 99 128 126 239 56 267 97 69 268 70 84 72 155 86 0.909 43.94 -4.7 61 62 81 82 282 3.9 0.171 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8025 2364.1 8.4 scans 62% TIC 1.2% 0.0301% 7100 1.2 106 35731 1239341 1158962 3-1 0.869 45.78 1.5 95 95 83 94 503 10.2 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.0994 2381.2 8.1 scans 85% 79 m/z 0.18% 0.438% 7151 1.0 384 231620 17981840 16488467 2-6 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 69 135 109 78 59 149 0.950 46.13 -2.0 96 97 96 99 292 28.3 0.543 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN HCMIX_~1-N1022 ?? Henicosane 46.1820 2385.9 >9 scans 21% 57 m/z (264) 4.4% 0.00730% 7165 1.9 49 9770 0.00949% 300011 300011 389541 0-0 11: 57 85 71 43 99 112 127 58 70 126 168 0.799 46.28 -5.8 66 80 58 74 296 4.7 0.000 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7617 2419.3 7.7 scans 62% 74 m/z (228) 1.1% 0.0350% 7263 0.9 108 38420 1439569 1365506 2-4 13: 74 87 75 143 298 255 199 59 88 97 101 299 129 0.889 46.76 924.2 74 99 90 97 298 19.7 3.297 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5044 2462.1 7.8 scans 33% 120 m/z (85) 4.8% 0.00808% 7388 0.9 51 8888 332004 309907 4-3 10: 120 121 138 139 110 93 65 122 92 140 0.735 47.50 949.3 64 92 69 90 168 6.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9454 2545.0 7.5 scans 61% 73 m/z (145) 2.0% 0.0192% 7633 1.0 80 21426 789935 716089 2-5 19: 73 355 221 207 281 430 356 147 431 357 341 222 429 295 74 325 148 296 149 0.807 48.95 994.6 71 98 83 98 429 21.6 7.315 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8575 2712.5 7.9 scans 53% 73 m/z 2.8% 0.0114% 8126 1.3 63 15190 470112 444342 4-5 20: 73 147 221 429 281 207 356 283 149 430 341 503 327 296 74 208 357 369 148 505 0.709 51.86 1081.6 72 95 68 92 503 10.0 2.541 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1014 771.0 5.6 scans 81% 77 m/z (86) 0.068% 0.168% 36 4.0 238 627974 0.178% 6926785 6470397 7322947 1-4 13: 77 45 78 79 62 76 59 61 75 63 47 46 64 0.991 4.37 17.0 99 100 100 100 77 202.8 72.363 -0.270 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2407 826.7 >24 scans 63% 41 m/z (44) 0.58% 0.0608% 398 0.7 100 72948 2503754 2255522 2-5 5: 41 39 42 40 53 0.917 6.03 -134.9 74 98 92 98 102 11.4 1.311 0.208 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5849 835.7 17.2 scans 74% 207 m/z 0.50% 0.0604% 457 2.8 98 85936 2487311 2306264 1-2 19: 207 208 209 191 163 133 177 193 210 192 147 103 119 75 105 89 149 211 161 0.874 6.53 -141.1 80 100 86 99 207 75.0 58.096 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6858 864.4 8.4 scans 78% 69 m/z 1.7% 0.0435% 643 1.7 116 25092 0.0596% 1792419 1740074 2451953 1-0 20: 69 41 55 83 39 42 57 70 97 43 53 79 56 81 68 50 40 54 99 37 0.910 7.71 9.1 98 98 90 98 98 29.0 6.248 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2562 983.3 >11 scans 25% 193 m/z (95) 1.2% 0.0141% 1418 8.8 74 34422 0.0673% 581374 522289 2768732 0-3 11: 193 207 235 142 284 266 208 283 251 191 178 0.373 12.22 37.0 87 94 78 98 281 47.5 41.729 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6765 994.3 9.2 scans 83% 81 m/z (84) 0.30% 0.116% 1489 2.0 161 140842 4799158 4339207 5-2 19: 81 110 53 39 67 79 41 68 65 51 77 82 50 95 66 40 54 63 52 0.961 13.22 30.7 93 96 94 99 110 47.2 8.612 -0.546 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1024 ?? p-Cymene 13.7326 1022.7 8.8 scans 18% 119 m/z (59) 6.6% 0.00282% 1668 1.7 26 6493 116092 100586 4-3 5: 119 134 117 115 120 0.623 13.76 -176.8 66 98 69 95 134 11.5 18.854 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1016 Limonene 13.9067 1027.4 8.2 scans 62% 68 m/z 0.84% 0.0651% 1698 1.3 142 50686 2680078 2413668 2-4 20: 68 93 67 124 94 79 121 92 91 136 53 107 81 39 77 43 95 80 65 105 0.796 13.89 52.1 85 97 87 97 136 28.5 4.026 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0874 1032.3 9.8 scans 84% 79 m/z 0.21% 0.244% 1728 1.6 242 196977 10055934 8857337 3-4 20: 79 108 107 77 51 91 78 90 50 89 80 63 65 52 109 39 53 105 62 74 0.967 14.11 53.3 92 100 97 100 108 108.5 20.031 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4487 1042.1 9.3 scans 86% 91 m/z 0.12% 0.176% 1789 1.3 213 337170 7276854 6554922 2-4 20: 91 92 120 65 63 39 89 51 62 50 121 38 64 93 75 66 74 52 87 37 0.974 14.44 57.3 91 100 98 100 120 69.3 10.543 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1771 1061.8 11.1 scans 89% 105 m/z 0.093% 0.390% 1912 1.2 304 461594 0.564% 16060210 14281757 23203047 3-1 20: 105 77 123 51 46 94 50 109 66 78 124 74 76 75 79 63 52 106 67 39 0.988 15.17 64.4 85 95 94 97 123 105.0 11.900 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN 98-86-2 ? Acetophenone 15.2669 1064.2 11.6 scans 75% 105 m/z 0.14% 0.205% 1928 1.4 236 306441 8445600 7884253 0-3 20: 105 77 120 51 43 50 106 78 121 74 76 63 104 49 75 39 107 38 52 102 0.970 15.29 -181.5 79 99 97 99 120 81.7 12.017 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4316 1068.7 8.8 scans 75% 95 m/z 0.16% 0.226% 1956 1.3 258 264462 9326450 8579716 2-1 19: 95 81 124 43 79 53 109 39 41 82 65 66 96 55 67 51 80 125 50 0.937 15.43 67.0 87 99 92 100 124 76.2 8.720 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1002 Undecane 16.6093 1100.9 8.5 scans 59% 57 m/z 1.3% 0.0373% 2155 1.1 109 31111 1535206 1448113 1-1 20: 57 43 71 41 56 85 55 70 69 95 99 83 112 39 84 98 97 42 113 82 0.775 16.59 0.9 87 92 83 93 156 12.5 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1016 Nonanal 16.7799 1108.1 8.7 scans 86% TIC 0.35% 0.210% 2184 1.1 252 121130 0.279% 8664901 7939788 11478103 0-4 0.973 16.82 85.7 80 96 95 96 124 15.8 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9664 1116.0 8.9 scans 90% TIC 0.12% 0.368% 2216 1.1 334 344523 0.667% 15163649 14612211 27440483 1-0 0.966 16.97 91.3 81 98 96 100 128 80.3 5.791 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0497 1119.5 9.2 scans 82% 91 m/z 0.082% 0.324% 2230 1.4 291 524555 13346142 11978027 7-4 18: 91 92 122 65 93 63 51 77 89 78 103 50 104 123 62 90 52 74 0.977 17.05 93.5 82 100 99 100 122 98.9 11.534 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN M4942-N1008 ?? Phenylethyl Alcohol 17.1223 1122.6 >5 scans 33% 89 m/z (130) 1.5% 0.0117% 2242 4.0 70 27010 485358 428912 0-7 2: 89 68 0.876 17.89 -201.6 65 88 77 93 122 22.2 9.964 -0.767 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1006 Contamination 18.13min 18.0780 1163.0 >7 scans 74% TIC 0.45% 0.0552% 2404 0.8 158 94906 0.143% 2274895 2140616 5883042 1-0 0.966 18.13 -168.7 80 99 93 99 355 66.3 17.622 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN M4942-N1002 ? Pyranone 18.1347 1165.4 9.3 scans 64% 144 m/z (355) 0.53% 0.106% 2413 1.3 159 80583 4385686 3877478 3-4 10: 144 43 101 44 72 55 45 145 115 58 0.843 20.04 -225.1 75 99 88 98 144 68.7 18.671 -1.907 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2380 1169.7 9.9 scans 16% 97 m/z (68 85) 7.2% 0.00817% 2431 0.8 46 5922 336168 305593 0-1 14: 97 283 282 133 55 70 99 41 56 124 281 193 53 77 0.577 12.25 16.6 62 72 16 74 281 14.0 9.430 5.987 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7061 1189.5 8.4 scans 79% 98 m/z 0.78% 0.110% 2511 1.1 188 55099 4562529 4161238 2-2 20: 98 55 69 111 82 43 41 125 70 67 39 97 95 107 83 126 53 71 84 81 0.951 18.71 138.7 78 98 95 100 153 7.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8259 1194.6 9.0 scans 56% 70 m/z 1.9% 0.0417% 2531 1.2 114 22367 1718873 1592604 1-3 20: 70 55 41 83 43 69 57 39 56 96 94 67 68 93 97 53 98 72 95 54 0.831 18.83 141.9 74 99 89 97 122 4.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.8691 1196.4 >12 scans 16% 122 m/z (151) 4.4% 0.0151% 2538 0.5 42 9658 621404 320140 2-14 4: 122 105 77 101 0.804 20.03 125.7 65 88 81 89 122 25.2 36.034 -1.160 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1211 1207.1 8.1 scans 44% 82 m/z 1.1% 0.0163% 2581 1.0 79 37469 671162 648398 2-0 8: 82 81 43 54 39 53 97 38 0.831 19.12 150.0 76 100 81 98 97 12.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7976 1235.6 9.5 scans 79% 57 m/z 0.17% 0.271% 2695 1.5 261 249084 11173173 9720148 9-4 20: 57 45 41 75 87 56 89 72 43 100 101 59 85 60 55 71 73 58 44 132 0.947 19.81 168.1 78 98 95 100 144 6.4 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3154 1257.5 10.1 scans 47% 57 m/z (139) 2.2% 0.0211% 2783 1.4 71 19423 870306 788403 4-2 13: 57 71 43 85 170 41 56 98 84 70 113 42 126 0.880 20.32 -0.2 92 98 87 96 170 9.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1034 ? Decanal 20.5249 1263.9 8.3 scans 81% TIC 0.59% 0.157% 2818 0.9 222 72637 6489575 5756714 4-2 0.921 20.57 -143.1 77 99 98 99 138 11.6 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5261 1263.9 8.2 scans 80% 57 m/z 0.59% 0.153% 2819 1.0 220 71871 6326460 5700042 5-2 20: 57 41 43 55 82 70 71 68 56 83 44 67 81 69 112 96 95 84 42 39 0.915 20.56 185.2 78 98 97 100 128 19.5 0.787 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 20.7746 1271.3 7.5 scans 27% 57 m/z 2.2% 0.00748% 2861 0.7 56 19553 307821 279602 2-1 13: 57 71 41 98 112 99 85 113 141 125 110 53 42 0.654 33.32 4.3 63 74 65 71 226 0.0 0.000 -12.544 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9358 1276.2 10.9 scans 71% 94 m/z (81) 0.29% 0.116% 2888 2.0 156 146485 4793825 4412232 2-2 6: 94 138 66 139 45 143 0.968 20.98 191.2 75 95 93 100 152 4.1 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9960 1278.0 8.5 scans 83% 137 m/z (125) 0.21% 0.362% 2898 1.0 325 195662 14919499 13979985 3-2 17: 137 152 123 109 81 67 91 79 41 93 55 39 119 53 107 43 153 0.994 21.00 192.7 63 84 82 85 155 0.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 21.2782 1286.5 8.6 scans 20% 56 m/z 3.8% 0.00877% 2946 1.0 58 11204 360986 321425 1-3 12: 56 57 43 71 70 55 95 85 111 67 96 42 0.717 16.82 -4.9 65 68 43 65 124 2.8 0.000 4.463 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4441 1291.4 6.8 scans 6.4% 147 m/z (123) 8.1% 0.00296% 2974 1.1 32 5307 122141 112082 3-5 6: 147 281 73 207 369 265 0.647 21.56 -147.3 65 95 59 92 369 9.0 0.000 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0078 1308.4 8.1 scans 9.5% 175 m/z 0.78% 0.0156% 3070 1.1 70 55146 645617 592573 3-3 6: 175 190 176 62 131 191 0.492 22.01 208.0 70 97 57 96 190 24.4 12.146 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 22.8148 1332.6 12.1 scans 54% 60 m/z (69) 0.74% 0.0976% 3206 0.2 144 57491 4018620 3891912 1-1 19: 60 73 57 115 129 55 41 87 61 45 98 42 56 101 39 43 83 96 84 0.982 22.70 -142.7 73 95 94 97 158 10.9 0.573 0.119 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9022 1335.2 8.6 scans 79% 69 m/z (57) 0.12% 0.397% 3221 1.1 330 338132 16365053 14843168 1-4 13: 69 43 109 86 41 110 127 128 67 95 39 58 53 0.979 22.91 221.6 75 97 96 98 127 42.8 1.682 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.6926 1358.9 6.8 scans 41% 71 m/z (134) 2.5% 0.0147% 3355 1.1 74 16979 605516 560112 1-1 17: 71 57 85 43 127 70 113 112 56 86 114 173 139 42 83 68 126 0.874 23.86 -5.1 74 81 84 80 184 0.0 0.000 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0876 1371.5 7.4 scans 74% 73 m/z 0.14% 0.262% 3422 1.1 302 304778 10796829 9954050 2-4 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 251 45 75 311 191 0.924 24.17 -152.3 79 99 89 99 429 91.9 9.293 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5421 1386.7 7.8 scans 72% TIC 0.59% 0.0522% 3499 1.3 150 71802 0.0770% 2147831 2001085 3167792 1-0 0.911 24.54 249.4 78 100 92 98 169 17.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1032 ?? Dodecane 25.1696 1407.7 10.7 scans 32% 71 m/z (141) 2.2% 0.0299% 3606 1.1 79 19374 1231440 1109019 3-1 13: 71 57 85 70 56 42 126 155 87 72 99 113 112 0.504 20.36 7.5 68 77 70 80 170 0.0 0.000 4.812 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.1862 1408.2 8.3 scans 32% 43 m/z (71) 0.86% 0.0232% 3608 0.9 80 49696 956017 876429 4-2 12: 43 103 145 116 151 86 115 74 42 44 117 137 0.817 25.24 -151.7 69 91 91 100 145 28.1 12.243 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.3993 1415.4 12.7 scans 51% TIC 0.22% 0.281% 3644 2.2 251 188984 11580970 10718427 1-3 0.580 25.89 258.4 78 98 72 98 162 83.9 11.175 -0.493 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7824 1428.1 7.5 scans 35% 93 m/z (85) 2.8% 0.0204% 3709 1.0 81 15039 841928 742435 1-3 12: 93 43 71 121 136 57 70 155 194 94 79 137 0.855 25.78 272.8 64 90 78 89 194 10.6 1.699 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0983 1472.1 6.7 scans 52% 221 m/z 1.0% 0.0301% 3932 0.9 109 41881 1241120 1155433 2-2 19: 221 73 147 281 222 267 355 148 283 443 282 268 265 205 193 191 74 223 323 0.839 27.12 297.2 76 97 81 96 355 21.8 3.994 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1673 1474.4 8.0 scans 66% 57 m/z 0.35% 0.0917% 3943 1.2 178 120859 0.141% 3775470 3513966 5800762 2-0 20: 57 71 85 43 41 84 55 56 99 70 198 42 112 69 98 127 113 141 126 83 0.894 27.21 -1.4 94 95 87 95 198 22.8 1.637 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1032 ?? Myosmine 28.0422 1507.1 11.3 scans 41% 118 m/z (147) 1.5% 0.0431% 4092 1.6 94 27491 1773693 1569468 2-2 18: 118 146 145 105 175 131 190 133 78 117 106 51 129 134 103 132 157 115 0.853 27.93 320.4 69 91 83 95 146 37.6 16.028 0.111 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6621 1530.4 8.4 scans 69% 43 m/z (148) 0.087% 0.472% 4197 0.9 364 489981 0.479% 19441869 17315731 19706134 0-9 19: 43 69 41 151 136 107 67 93 125 109 121 53 83 39 81 68 79 108 161 0.917 28.67 333.0 74 98 89 97 194 24.9 0.467 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0936 1546.7 7.5 scans 79% 71 m/z (179) 0.12% 0.444% 4270 1.1 375 331927 0.550% 18296359 16788920 22627085 2-0 20: 71 57 43 85 41 70 55 141 56 113 99 177 112 84 69 97 220 183 42 127 0.982 29.09 343.0 72 94 95 95 220 40.4 1.156 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5121 1562.4 7.6 scans 78% 73 m/z 0.068% 0.674% 4341 1.1 476 626346 27768792 26411380 2-3 20: 73 281 147 327 282 415 341 503 283 399 221 328 416 504 148 74 505 325 417 207 0.969 29.61 -150.7 79 99 96 99 503 81.6 2.937 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7701 1572.1 8.2 scans 86% 123 m/z 0.016% 1.18% 4385 0.8 616 2605051 48935614 45158609 1-3 20: 123 43 135 124 107 95 91 79 109 41 77 55 39 81 93 97 69 53 67 105 0.990 29.77 358.1 78 97 97 98 193 51.4 0.696 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9378 1578.4 9.0 scans 73% 71 m/z 0.13% 0.395% 4413 0.8 331 324208 16279828 14730279 1-2 19: 71 85 57 43 99 113 69 41 127 55 84 155 70 56 83 169 86 126 112 0.940 29.94 362.0 76 97 94 96 254 9.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.1662 1587.0 7.4 scans 40% TIC 0.54% 0.0329% 4452 0.8 159 78736 0.0556% 1354933 1354933 2287393 0-0 0.753 30.38 -7.9 80 84 77 81 212 0.0 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4991 1600.0 7.8 scans 81% 191 m/z 0.044% 0.400% 4508 1.0 368 956619 16484723 15759266 1-6 20: 191 206 192 57 163 74 175 91 115 41 107 207 147 73 77 88 128 161 105 133 0.964 30.50 375.2 80 99 95 99 206 100.5 7.452 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8345 1614.1 8.6 scans 26% 124 m/z (71) 1.2% 0.0322% 4565 0.8 94 34935 1325908 1179434 2-7 4: 124 137 180 138 0.968 30.81 384.7 69 92 81 93 180 26.4 7.827 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8817 1616.1 9.4 scans 56% 162 m/z (179) 0.39% 0.146% 4573 1.2 198 108915 6040798 5740451 1-2 18: 162 147 161 148 105 77 119 163 134 204 165 103 133 115 51 145 89 164 0.829 30.88 0.1 87 89 76 94 204 23.5 1.407 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2430 1631.3 12.3 scans 86% TIC 0.033% 1.95% 4634 0.4 663 1281719 2.15% 80493695 74503224 88451331 2-0 0.964 31.18 396.3 77 97 95 98 180 145.1 4.787 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5027 1642.2 9.6 scans 60% 43 m/z (185) 0.65% 0.0889% 4678 1.3 150 65696 3660488 3316915 1-1 20: 43 98 111 166 127 55 41 82 99 84 83 68 107 67 58 123 69 39 53 59 0.951 31.52 -0.5 91 95 91 95 166 25.6 2.914 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7855 1654.1 8.6 scans 24% 193 m/z (43 57) 0.97% 0.0267% 4726 0.9 86 44183 1098510 994478 1-5 8: 193 208 194 151 175 209 178 189 0.821 31.80 -0.4 69 77 40 83 208 19.1 4.959 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9148 1659.5 7.8 scans 54% 71 m/z (143) 1.0% 0.0764% 4748 0.6 147 40644 3144002 3116029 1-0 20: 71 57 82 55 85 43 41 69 99 113 70 84 56 155 112 126 125 111 97 127 0.880 31.92 -0.2 78 84 84 88 219 3.2 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0576 1665.5 6.5 scans 44% 221 m/z 0.50% 0.0578% 4772 1.0 152 85600 2378698 2247379 2-1 19: 221 73 147 295 222 207 341 223 296 355 281 325 267 148 74 342 297 356 357 0.909 32.08 -0.9 96 98 88 97 355 26.9 3.133 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2276 1672.7 8.4 scans 57% 57 m/z 0.40% 0.112% 4801 1.4 186 106388 4619574 4447146 1-1 19: 57 149 105 43 71 77 85 41 100 99 123 183 113 150 182 51 137 58 42 0.802 32.24 -0.4 75 78 67 79 226 6.8 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4402 1681.6 10.2 scans 38% 57 m/z 0.72% 0.0544% 4837 0.9 129 59216 2239894 2128103 1-1 17: 57 85 71 56 43 41 55 99 197 111 141 113 155 91 96 70 72 0.660 32.44 -0.1 81 86 68 83 226 5.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.9 scans 74% 205 m/z (182) 1.0% 0.215% 4875 1.1 248 42835 8869325 8417217 1-1 20: 205 91 105 119 43 93 107 159 79 162 135 77 41 121 187 131 69 123 106 120 0.942 32.67 -0.4 93 95 91 98 220 14.8 0.359 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8640 1699.4 8.9 scans 29% 70 m/z (149) 1.1% 0.0558% 4909 1.3 121 38551 0.0661% 2297711 2192728 2719364 8-0 10: 70 97 201 216 134 131 133 117 93 151 0.878 32.87 -0.1 67 75 78 78 186 2.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9284 1702.1 7.9 scans 62% 71 m/z 0.087% 0.185% 4920 0.9 247 494529 7632817 6946285 6-3 13: 71 43 159 111 243 56 72 155 173 143 89 73 244 0.905 32.93 -0.2 96 97 91 98 243 40.2 2.640 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0748 1708.3 7.5 scans 33% 70 m/z (159) 4.3% 0.0233% 4945 1.6 89 9918 958956 857918 3-2 13: 70 112 85 125 84 82 68 39 54 154 127 42 152 0.852 33.09 -0.4 90 96 95 95 224 4.8 0.292 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3050 1717.9 7.4 scans 72% 57 m/z (135) 0.32% 0.135% 4984 0.7 210 134438 5559302 5184889 3-1 17: 57 71 85 43 41 99 55 56 70 113 226 42 84 98 112 141 72 0.978 33.37 -2.9 94 97 97 98 226 23.4 1.233 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.4 scans 31% 71 m/z 1.4% 0.0172% 5083 1.0 93 28846 708103 669396 1-1 19: 71 57 43 70 85 197 196 99 55 41 168 56 113 127 84 141 42 208 97 0.744 33.90 -0.1 88 94 74 91 197 20.2 4.698 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2655 1733.6 6.7 scans 13% 57 m/z (173) 4.0% 0.00915% 5146 1.3 58 10632 376437 337319 1-1 20: 57 85 210 71 59 43 93 162 127 202 41 182 123 98 67 183 91 79 141 105 0.593 34.27 -0.0 73 90 61 89 211 11.6 4.002 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3942 1735.4 12.7 scans 95% TIC 0.0084% 9.87% 5168 0.4 1469 5121607 406351136 392539223 2-1 0.989 34.39 452.4 80 99 98 100 415 179.4 1.493 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8003 1741.2 14.2 scans 90% 91 m/z 0.031% 1.71% 5237 0.3 574 1379356 70712135 68232829 1-1 20: 91 155 199 90 65 184 92 89 44 120 106 137 63 39 77 134 64 51 200 156 0.988 34.79 452.2 80 100 98 100 199 162.7 8.032 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9036 1742.7 7.9 scans 26% 68 m/z (71) 1.7% 0.0394% 5254 1.1 107 24007 1621801 1472487 3-6 2: 68 224 0.881 34.90 -0.0 89 94 89 97 224 14.2 1.769 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1042 ? Phytol 35.3446 1749.0 8.0 scans 72% 57 m/z (73) 0.36% 0.239% 5329 0.8 263 116572 9849461 8682388 4-1 20: 57 71 43 69 85 55 56 41 126 70 81 95 111 82 83 96 67 137 97 58 0.953 35.35 451.6 76 98 98 99 196 21.7 0.682 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6876 1753.9 9.3 scans 31% 123 m/z (135) 0.93% 0.0541% 5387 1.3 116 46055 2227937 2015750 4-4 14: 123 193 167 105 124 181 122 211 166 77 175 182 194 157 0.866 35.70 451.2 69 94 79 93 224 19.7 2.869 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9302 1757.4 16.1 scans 50% TIC 0.46% 0.119% 5428 1.3 205 93501 0.156% 4908563 4507693 6417864 2-0 0.721 35.94 451.0 76 98 75 96 238 8.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4928 1765.4 6.9 scans 23% 221 m/z 0.51% 0.0757% 5523 1.2 169 82943 3117552 2927418 1-7 20: 221 73 147 295 207 281 222 369 341 223 296 148 74 327 355 370 297 342 208 325 0.871 36.58 448.9 76 99 89 98 369 27.3 2.625 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1982 1775.5 8.6 scans 22% 209 m/z (253) 1.2% 0.0281% 5643 0.9 91 34434 1157102 1106111 2-2 14: 209 224 165 181 210 167 178 193 194 179 103 115 182 89 0.730 37.20 449.2 73 98 85 98 224 28.6 9.821 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0548 1787.8 8.4 scans 49% 57 m/z 0.57% 0.0618% 5788 1.1 150 74240 2544915 2424888 1-1 20: 57 71 85 43 56 225 41 55 99 224 113 226 69 70 127 58 114 141 84 42 0.810 38.06 448.1 75 97 81 95 225 30.0 3.980 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5761 1795.2 10.2 scans 95% 73 m/z 0.011% 7.02% 5876 0.6 1353 3901213 289017912 271792164 2-3 20: 73 429 147 355 430 401 357 295 342 267 282 325 223 283 327 475 403 265 191 205 0.995 38.59 447.1 80 99 98 99 429 404.7 8.954 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1016 Octadecane 38.8287 1798.8 11.2 scans 44% 57 m/z (250) 0.92% 0.0699% 5919 0.9 125 46414 2878661 2613827 1-1 19: 57 71 43 99 41 254 55 169 429 113 56 154 68 98 70 140 72 168 42 0.888 38.91 -1.2 84 95 89 92 254 10.8 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4486 1866.8 7.8 scans 55% 74 m/z 0.39% 0.0870% 6024 1.1 174 107788 3580238 3253895 2-2 16: 74 87 143 55 75 41 213 256 102 129 59 185 101 88 199 225 0.845 39.45 505.3 74 96 82 96 256 26.8 2.371 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8612 1917.9 16.0 scans 96% 68 m/z 0.016% 12.4% 6094 0.2 1496 2634978 12.6% 511649764 495862991 518365941 1-4 20: 68 82 123 69 55 81 57 67 43 83 41 71 109 124 111 79 56 110 70 85 1.000 39.94 548.8 81 100 100 100 278 93.1 0.387 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9244 1925.8 6.6 scans 69% TIC 0.32% 0.144% 6105 1.2 258 133264 5951865 5405324 0-9 0.937 39.88 557.5 74 95 90 94 250 26.9 1.090 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3223 1975.1 7.8 scans 66% 149 m/z 0.089% 0.155% 6172 1.0 229 479406 6398327 6066881 2-2 15: 149 150 223 104 76 167 56 205 65 105 121 132 50 224 122 0.960 40.31 600.2 78 98 94 98 223 48.4 4.452 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N406_R~1-N1110 ? Phytol 40.3866 1983.1 8.1 scans 32% 81 m/z (147) 2.1% 0.0428% 6183 1.1 105 20007 0.0524% 1761708 1558839 2155744 4-0 14: 81 82 95 123 79 68 124 53 67 109 179 356 110 137 0.757 40.66 -34.1 75 93 71 90 278 14.7 0.000 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6056 2010.2 7.0 scans 60% 221 m/z (69) 0.55% 0.0766% 6220 1.0 166 78237 3151491 3039068 2-2 20: 221 73 147 295 281 207 222 369 296 223 148 282 355 370 283 297 401 74 341 208 0.912 40.63 630.1 76 98 97 99 369 27.3 2.713 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1254 Phytol 40.8506 2040.6 7.7 scans 59% 82 m/z (179) 1.3% 0.0854% 6261 1.2 162 32940 3514908 3152751 2-4 11: 82 81 95 123 68 79 67 96 278 124 109 0.926 40.87 -2.1 92 97 95 97 278 21.8 1.816 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2432 2089.3 7.6 scans 74% 79 m/z (191) 0.35% 0.236% 6328 1.0 275 122954 9738387 8776962 2-1 20: 79 67 93 95 80 55 108 91 41 121 81 77 94 107 135 59 87 78 105 122 0.926 41.26 -1.7 94 98 94 99 264 19.2 0.489 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4350 2113.1 9.2 scans 59% TIC 0.57% 0.177% 6361 0.8 231 75325 7289811 6710281 2-2 0.791 41.49 -83.5 82 98 77 98 276 16.4 0.505 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6428 2128.0 9.1 scans 51% 69 m/z (43) 0.47% 0.112% 6396 0.7 172 89778 4646405 4271118 3-2 19: 69 93 81 41 133 67 79 120 95 68 91 119 77 53 132 161 188 109 134 0.901 41.75 730.5 71 97 89 94 272 9.0 0.000 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0372 2150.1 9.5 scans 95% 74 m/z 0.012% 4.43% 6463 0.5 1107 3584601 182656223 171765098 2-2 20: 74 87 143 55 43 227 75 270 41 57 239 129 83 59 185 97 171 199 101 71 0.997 42.01 748.1 80 99 99 99 272 27.9 0.064 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3247 2166.2 8.5 scans 90% 73 m/z 0.070% 0.728% 6511 1.1 468 610192 29952310 28375645 2-3 20: 73 147 281 221 355 429 503 207 341 282 430 222 148 283 356 415 74 504 295 431 0.979 42.37 757.2 74 91 94 99 503 76.6 2.676 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8530 2252.0 8.6 scans 47% 57 m/z (205) 2.0% 0.0310% 6770 1.0 94 20979 1278044 1153683 1-4 20: 57 71 85 127 43 267 72 113 55 126 238 86 69 41 154 155 70 141 239 266 0.882 43.94 -4.7 68 85 85 82 282 4.2 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2964 2277.4 7.1 scans 61% TIC 0.97% 0.0324% 6845 1.1 122 44117 1332938 1258596 2-1 0.868 44.32 830.1 76 97 91 99 369 22.9 3.531 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7881 2363.3 7.9 scans 81% 73 m/z (95) 0.39% 0.118% 7098 1.1 194 109240 4885172 4635904 2-2 20: 73 355 147 221 281 356 357 207 282 429 222 341 295 148 283 74 415 223 358 503 0.942 45.78 0.7 97 99 92 98 503 18.3 0.888 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9139 2370.5 9.2 scans 46% 74 m/z (266) 0.80% 0.0488% 7119 1.4 116 53663 0.0669% 2011038 1898826 2752276 2-0 17: 74 87 255 75 298 256 88 157 143 241 213 129 185 101 200 243 227 0.889 45.92 891.8 72 96 78 94 298 21.9 3.548 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1057 2381.6 8.2 scans 87% 79 m/z 0.11% 0.705% 7152 0.9 472 361761 29007559 26766510 2-6 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 135 69 109 78 59 149 0.957 46.13 -1.6 97 97 96 99 292 35.5 0.566 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN HCMIX_~1-N1022 ? Henicosane 46.1842 2386.1 9.9 scans 29% 57 m/z (112) 2.4% 0.0199% 7166 1.0 69 17424 821251 636062 0-7 17: 57 71 85 113 72 43 99 155 296 140 58 126 127 154 197 169 141 0.872 46.28 -5.6 78 86 71 83 296 6.6 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7604 2419.2 7.7 scans 63% 74 m/z 0.58% 0.0593% 7263 1.0 143 73634 2443106 2236986 3-3 20: 74 87 75 143 43 298 55 255 41 69 199 57 59 88 101 83 97 129 267 299 0.834 46.76 924.1 78 99 82 97 298 28.2 3.918 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5007 2461.9 7.7 scans 19% 120 m/z (83) 10% 0.00434% 7389 1.0 35 4163 178542 148625 2-8 2: 120 138 0.526 47.50 949.1 65 97 62 94 168 4.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9346 2544.4 8.4 scans 72% 73 m/z 0.96% 0.0482% 7631 1.4 118 44405 1985831 1822326 2-5 20: 73 147 355 429 221 222 281 430 431 207 325 358 356 282 327 415 459 357 283 296 0.847 48.95 994.0 73 96 87 99 429 32.8 7.751 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8579 2712.6 9.0 scans 48% TIC 2.0% 0.0163% 8126 1.7 70 20812 671130 597549 2-3 0.624 51.86 1081.7 74 97 63 94 503 13.0 3.463 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1009 771.0 5.1 scans 84% 77 m/z (55) 0.047% 0.179% 36 3.3 292 991690 0.195% 9841986 8908166 10697362 0-6 14: 77 45 78 79 76 62 59 75 63 61 47 46 92 64 0.991 4.37 17.0 99 100 99 100 77 249.3 72.899 -0.270 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1016 ? Pivalic acid 6.2527 827.0 12.3 scans 53% 57 m/z (129) 0.69% 0.0401% 400 0.2 95 67305 2202982 1996038 1-6 7: 57 59 87 58 102 100 45 0.675 6.03 -134.6 70 96 84 98 102 9.2 0.922 0.220 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5921 835.9 15.4 scans 61% 207 m/z 0.44% 0.0476% 458 2.4 102 104748 2612304 2345651 2-2 20: 207 208 96 209 191 133 192 177 161 89 67 178 135 81 163 82 103 147 132 50 0.728 6.53 -140.9 79 100 80 99 207 81.0 62.950 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6854 864.3 8.8 scans 86% 69 m/z 0.70% 0.115% 643 2.6 189 66558 6363288 5990055 1-2 20: 69 41 55 83 39 42 57 98 70 97 56 43 53 80 81 40 54 51 79 68 0.962 7.71 9.0 100 99 97 99 98 43.5 5.304 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.6548 993.7 8.5 scans 48% 43 m/z (134) 0.42% 0.0697% 1485 1.8 151 110802 3826527 3411558 1-4 19: 43 281 71 108 41 55 69 283 111 68 39 67 58 93 193 265 249 72 126 0.644 12.22 47.4 82 92 29 99 281 65.3 18.722 0.435 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.0769 1004.9 10.1 scans 85% 81 m/z (45) 0.19% 0.163% 1557 2.0 206 237770 8971146 8035762 2-2 20: 81 110 53 39 79 67 41 68 65 82 77 51 95 66 50 55 54 40 52 109 0.977 13.22 41.3 90 96 95 99 110 60.2 8.565 -0.145 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1022 ? Octanal 13.3119 1011.3 7.7 scans 60% 84 m/z (59) 2.0% 0.0407% 1597 1.4 123 23176 2233546 2036706 2-4 15: 84 56 57 43 41 44 55 69 82 85 42 67 68 100 71 0.900 12.96 -163.5 72 99 91 99 110 13.7 0.000 0.357 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1024 ? p-Cymene 14.0680 1031.8 >12 scans 43% TIC 2.1% 0.00672% 1725 0.7 55 21465 0.00966% 368893 368893 529931 0-0 0.854 13.76 -167.7 76 97 86 97 134 19.9 13.272 0.311 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1016 Limonene 14.2316 1036.2 8.2 scans 83% 68 m/z 0.33% 0.155% 1753 1.2 247 140833 8553631 7790031 2-4 20: 68 93 67 79 94 121 136 92 107 53 91 124 77 39 81 41 123 95 80 43 0.948 13.89 60.9 82 89 89 99 136 47.7 3.734 0.340 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4004 1040.8 9.9 scans 77% 79 m/z 0.32% 0.123% 1781 1.7 198 141698 6775801 6057784 2-3 20: 79 108 107 77 51 89 91 78 90 50 80 65 63 74 109 105 39 52 53 62 0.957 14.11 61.8 90 100 95 99 108 89.8 20.571 0.291 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.7505 1050.2 9.5 scans 93% 91 m/z 0.033% 0.577% 1840 1.3 428 1394687 31672086 28692780 2-5 20: 91 92 120 65 63 39 89 51 50 62 121 64 93 66 74 38 61 52 90 41 0.992 14.44 65.4 89 100 99 100 120 139.5 10.626 0.308 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN M4942-N1006 ? 2-Acetylpyrrole 15.4246 1068.5 12.0 scans 4.6% 94 m/z (105) 1.9% 0.0183% 1955 1.9 67 24014 1005385 921684 2-2 9: 94 109 66 47 64 68 103 110 37 0.693 16.11 -201.7 70 96 80 97 109 34.8 27.247 -0.684 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4424 1069.0 12.0 scans 84% 105 m/z 0.089% 0.396% 1957 2.1 299 519813 21743985 19964405 2-1 20: 105 77 123 51 46 106 50 78 74 124 109 76 75 79 63 49 39 73 67 62 0.949 15.17 71.6 87 99 97 99 123 106.8 12.723 0.272 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN 98-86-2 ? Acetophenone 15.5161 1071.0 >11 scans 68% 105 m/z 0.22% 0.100% 1970 2.5 185 206595 0.307% 5532988 5270407 16841487 0-2 16: 105 77 107 51 75 106 78 53 50 121 125 96 64 140 90 73 0.973 15.29 -174.7 79 98 98 99 120 50.8 7.528 0.223 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.6738 1075.3 8.8 scans 62% TIC 0.15% 0.175% 1997 1.9 249 307670 9604438 8933460 1-3 0.735 15.43 73.6 79 95 78 99 124 79.7 10.260 0.241 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.4306 1095.8 8.6 scans 19% 132 m/z 3.6% 0.00545% 2125 1.2 48 12638 299457 283700 1-1 18: 132 117 115 99 91 51 102 92 65 64 73 63 118 103 116 89 131 129 0.667 16.25 -178.8 72 94 65 93 132 28.1 33.839 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1016 ? Nonanal 16.9690 1116.1 8.4 scans 89% 57 m/z (112) 0.17% 0.386% 2216 1.1 366 259447 21180639 18868983 5-5 20: 57 41 56 55 43 98 70 44 69 82 68 95 81 96 67 39 42 71 54 45 0.994 16.82 93.7 79 99 99 99 124 23.8 0.421 0.154 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1561 1124.0 >10 scans 78% TIC 0.36% 0.0909% 2248 0.9 199 129479 0.289% 4989432 4613116 15854038 2-0 0.958 16.97 99.3 78 97 94 99 128 47.2 5.632 0.188 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.2334 1127.3 9.4 scans 80% 91 m/z 0.092% 0.241% 2261 1.4 279 505749 13269053 11691998 7-4 20: 91 92 122 65 77 51 93 63 89 78 39 103 123 104 50 52 62 90 64 38 0.965 17.05 101.3 80 100 98 100 122 94.6 11.519 0.181 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2051 1168.4 >9 scans 67% TIC 0.50% 0.0386% 2425 1.1 146 92606 0.136% 2120412 2120412 7460724 0-0 0.855 18.13 -163.3 79 99 82 98 355 66.6 20.802 0.074 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN M4942-N1002 ? Pyranone 18.2883 1171.9 9.7 scans 82% 43 m/z (154) 0.37% 0.142% 2439 1.0 206 124028 7811422 6767976 3-7 14: 43 144 101 44 72 55 45 115 42 71 53 39 56 54 0.968 20.04 -218.6 77 99 97 99 144 85.2 17.090 -1.754 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.8515 1195.7 8.2 scans 54% 98 m/z 2.1% 0.0221% 2535 0.8 105 21852 1215362 1123770 1-1 16: 98 111 41 100 107 70 39 126 125 124 71 72 99 85 81 56 0.813 18.71 144.9 77 100 83 98 153 4.3 0.000 0.146 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.9548 1200.0 8.9 scans 58% TIC 1.6% 0.0348% 2552 1.1 131 28264 1909178 1789527 1-0 0.854 18.83 147.3 75 96 94 98 122 4.9 0.000 0.125 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 19.0546 1204.2 10.7 scans 31% 105 m/z (134) 1.5% 0.0255% 2569 0.9 77 29999 1402413 1225716 1-1 11: 105 122 77 106 51 135 65 64 76 38 61 0.923 20.03 133.5 70 94 89 94 122 39.5 26.610 -0.974 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2358 1211.9 8.6 scans 44% 82 m/z (77) 1.3% 0.0166% 2600 1.1 79 35658 913193 860117 1-0 9: 82 81 39 54 43 97 53 127 38 0.915 19.12 154.8 74 98 95 99 97 11.8 2.271 0.115 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9052 1240.2 9.6 scans 81% 57 m/z 0.11% 0.319% 2713 1.3 323 406095 17511612 16466360 2-3 19: 57 45 75 41 87 56 89 72 59 101 100 85 60 73 44 71 58 55 62 0.935 19.81 172.7 79 99 96 100 144 7.4 0.000 0.091 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4053 1260.3 11.1 scans 34% 57 m/z (107) 2.8% 0.0145% 2798 1.4 65 16249 798373 741133 2-1 10: 57 71 43 41 85 140 98 58 56 112 0.826 20.32 2.6 87 96 85 94 170 7.2 0.000 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.6131 1266.5 8.0 scans 90% 57 m/z (129) 0.34% 0.243% 2833 1.0 307 134866 13382808 12193782 5-2 20: 57 41 43 55 71 70 82 68 83 44 56 81 67 112 69 96 95 42 84 39 0.993 16.82 -24.9 71 74 86 76 124 6.5 0.000 3.798 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1034 ? Decanal 20.6131 1266.5 8.0 scans 87% 57 m/z 0.34% 0.222% 2833 1.0 302 135402 12204704 11120349 5-2 20: 57 41 43 55 71 70 82 68 83 44 56 81 67 112 69 96 95 42 84 39 0.967 20.57 -140.5 75 92 95 99 138 16.2 0.286 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0245 1278.8 10.6 scans 75% 94 m/z (137) 0.21% 0.124% 2903 1.5 188 220472 6839893 6383806 2-1 6: 94 138 66 45 139 62 0.976 20.98 193.8 76 97 95 100 152 3.6 0.000 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.1916 1283.9 >10 scans 24% TIC 1.2% 0.0128% 2931 0.0 96 37913 0.0397% 703200 703200 2177873 0-0 0.609 12.25 130.8 66 83 55 94 281 48.8 25.629 8.941 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9537 1336.7 8.8 scans 41% 69 m/z (71 136) 0.23% 0.179% 3230 1.0 240 200894 9854691 8902125 5-3 6: 69 43 109 86 110 67 0.733 22.91 223.1 66 94 86 94 127 28.0 1.356 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8752 1364.4 9.6 scans 41% 57 m/z (72) 1.0% 0.0396% 3386 1.0 107 43154 2173380 1924940 2-3 9: 57 71 85 56 184 113 70 185 120 0.902 23.86 0.4 85 91 83 89 184 13.9 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1173 1372.5 7.5 scans 53% 73 m/z 0.26% 0.105% 3427 1.1 216 173630 5791249 5408374 2-5 19: 73 341 429 342 325 147 343 430 431 326 74 207 327 149 45 251 311 191 148 0.881 24.17 -151.3 79 99 87 98 429 67.8 9.880 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5771 1387.9 7.6 scans 74% TIC 0.51% 0.0496% 3505 1.3 169 90592 0.0693% 2724791 2567604 3801678 1-0 0.948 24.54 250.6 79 100 95 99 169 18.3 0.000 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7135 1392.4 8.0 scans 62% 43 m/z 0.78% 0.0389% 3528 1.0 141 59444 0.0430% 2134882 2053916 2358905 1-5 20: 43 69 83 41 82 55 58 142 113 85 56 111 70 39 71 93 127 67 57 128 0.906 24.70 252.8 67 87 81 96 170 5.4 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2165 1409.2 7.7 scans 39% 43 m/z 0.43% 0.0282% 3613 1.0 109 107548 1548826 1380746 4-5 13: 43 145 103 116 115 86 73 155 44 127 146 61 74 0.893 25.24 -150.7 77 100 94 100 145 39.8 13.352 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1004 ?? Nicotine 25.5163 1419.3 15.7 scans 42% 84 m/z (57) 0.56% 0.0686% 3664 2.1 117 82095 3763640 3320788 3-4 15: 84 133 161 162 42 92 118 51 78 117 134 64 50 119 120 0.758 25.89 262.3 64 88 72 88 162 31.3 7.164 -0.376 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1026 1472.2 6.6 scans 42% 221 m/z 1.5% 0.0165% 3932 1.0 92 30311 905992 858565 1-1 19: 221 73 147 281 267 355 223 148 222 282 443 224 249 193 356 189 284 131 205 0.859 27.12 297.3 76 97 81 95 355 18.9 4.240 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1870 1475.1 8.3 scans 73% 57 m/z (178) 0.45% 0.0734% 3947 1.0 171 102750 0.132% 4031927 3901692 7241291 1-0 19: 57 71 85 43 41 56 55 70 99 198 112 42 98 84 127 72 126 113 39 0.982 27.21 -0.7 95 98 96 98 198 19.5 1.299 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6740 1530.9 7.9 scans 83% 43 m/z (166) 0.079% 0.491% 4199 0.9 424 588869 26969700 22850629 7-12 20: 43 69 41 151 136 107 67 125 93 109 83 121 39 53 81 68 79 108 55 91 0.994 28.67 333.5 78 99 99 99 194 26.8 0.401 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1032 1547.0 8.0 scans 76% 71 m/z (151) 0.12% 0.364% 4271 1.2 380 386613 0.490% 20017031 19217970 26880549 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 97 69 183 42 220 140 127 0.962 29.10 343.1 72 95 94 95 227 7.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5129 1562.4 7.9 scans 90% 73 m/z 0.024% 1.80% 4341 0.9 872 1915811 99020023 93594891 2-2 20: 73 147 327 282 415 341 503 283 399 221 148 504 329 325 417 505 207 383 149 75 0.988 29.61 -150.7 79 99 97 99 503 149.6 2.945 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7703 1572.1 8.0 scans 69% 123 m/z 0.038% 0.362% 4385 0.9 388 1197311 19905629 18420998 1-3 17: 123 135 124 107 95 91 79 109 77 193 39 53 93 81 67 125 105 0.932 29.77 358.1 78 98 91 98 193 33.1 0.727 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9497 1578.8 8.6 scans 76% 71 m/z 0.074% 0.554% 4415 0.7 451 628118 30421088 27759272 1-2 20: 71 85 57 43 99 113 69 41 55 127 155 84 70 56 83 169 126 86 112 42 0.921 29.94 362.4 78 99 94 97 254 12.9 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1740 1587.3 7.8 scans 74% 57 m/z (153) 0.26% 0.171% 4453 1.2 266 177031 0.270% 9388614 9094854 14811731 1-0 20: 57 85 71 43 41 99 55 84 70 113 56 127 69 98 155 183 141 83 86 42 0.948 30.38 -7.6 80 82 93 86 212 4.1 0.000 -0.203 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4993 1600.0 7.7 scans 79% 191 m/z 0.044% 0.318% 4508 0.9 375 1037476 17474443 16296453 2-7 19: 191 206 192 57 163 74 175 91 115 107 88 207 73 77 147 128 161 133 117 0.970 30.50 375.2 80 99 96 99 206 101.6 7.332 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8311 1614.0 8.7 scans 45% 124 m/z (71) 0.61% 0.0600% 4564 1.0 147 75635 3296315 3080581 2-5 8: 124 137 180 54 96 181 138 152 0.981 30.81 384.6 75 96 91 98 180 38.5 6.863 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8783 1616.0 22.8 scans 66% TIC 0.26% 0.111% 4572 0.7 217 174734 0.178% 6094406 5793888 9764771 0-1 0.935 30.88 -0.0 86 87 78 88 204 16.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2236 1630.5 10.0 scans 81% 111 m/z (71) 0.061% 0.790% 4631 0.5 498 759182 43380540 39357844 3-2 18: 111 109 137 180 67 110 124 95 152 79 81 77 39 91 112 165 93 65 0.974 31.18 395.5 75 96 96 99 180 108.5 4.744 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5147 1642.7 10.1 scans 69% 43 m/z (155) 0.41% 0.123% 4680 1.3 198 112548 6767654 6381376 1-1 20: 43 98 85 57 71 166 111 55 41 82 127 99 151 183 84 69 67 83 68 81 0.960 31.52 0.0 89 92 92 94 166 32.2 2.648 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9202 1659.8 7.7 scans 62% 71 m/z (143) 0.65% 0.0824% 4749 0.8 175 71624 4522286 3967100 6-1 19: 71 57 85 43 83 55 69 41 113 99 70 84 56 127 111 155 169 126 141 0.974 31.92 0.1 71 75 87 81 219 2.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0578 1665.5 6.6 scans 33% 221 m/z 0.66% 0.0358% 4772 1.0 134 70129 1963965 1819562 2-1 19: 221 73 147 295 207 341 355 223 222 296 325 267 281 265 148 326 74 356 208 0.780 32.08 -0.9 94 97 87 97 355 24.1 3.260 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2355 1673.0 9.1 scans 73% 57 m/z (200) 0.33% 0.145% 4802 1.2 219 137810 0.166% 7994446 7568544 9106472 1-0 20: 57 71 43 85 41 183 56 99 55 113 70 42 69 141 149 105 97 83 211 98 0.975 32.24 -0.1 92 95 96 96 226 10.2 0.217 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4468 1681.9 14.0 scans 22% 57 m/z 0.85% 0.0230% 4838 0.7 93 54607 1262056 1186916 0-1 20: 57 55 56 165 99 109 123 198 141 91 95 142 166 114 42 83 97 70 108 77 0.407 32.44 0.2 77 83 43 79 226 4.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6723 1691.4 9.0 scans 57% 205 m/z (165) 2.2% 0.0671% 4876 1.0 155 20966 3683111 3527167 1-2 14: 205 119 91 105 131 93 159 162 147 187 135 146 149 133 0.898 32.67 -0.1 90 95 85 96 220 9.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9327 1702.3 8.0 scans 81% 71 m/z 0.043% 0.343% 4920 0.9 378 1063155 18864920 17446023 7-2 18: 71 43 159 111 41 56 243 72 155 69 173 83 55 143 89 98 73 42 0.972 32.93 -0.0 94 92 87 98 243 58.5 2.395 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0850 1708.7 7.7 scans 42% 97 m/z (180) 2.8% 0.0287% 4946 1.0 109 16607 1578561 1498602 1-1 19: 97 83 57 55 70 69 56 41 125 84 112 82 39 224 98 68 101 67 42 0.915 33.09 -0.0 87 89 94 98 224 6.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3081 1718.1 7.1 scans 73% 57 m/z (59) 0.31% 0.107% 4984 0.9 219 150500 5899115 5564629 2-1 20: 57 71 85 43 41 55 99 56 113 70 69 226 84 98 42 83 72 112 127 126 0.981 33.37 -2.7 94 96 98 99 226 24.0 1.198 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8937 1728.2 7.6 scans 58% 71 m/z 0.66% 0.0511% 5083 1.0 158 70184 2804193 2497836 11-1 19: 71 57 43 85 70 197 41 55 99 196 56 113 168 127 141 69 42 72 84 0.876 33.90 -0.1 91 95 88 95 197 30.3 3.684 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2763 1733.7 8.7 scans 13% 57 m/z (95) 3.3% 0.00711% 5148 0.8 54 13786 390285 342181 0-2 19: 57 85 41 210 71 98 182 196 93 43 183 91 162 146 142 159 140 54 67 0.764 34.27 0.1 71 80 60 80 211 12.8 5.700 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.4102 1735.6 16.5 scans 93% TIC 0.0090% 9.53% 5171 0.4 1432 5143731 523124317 512130422 1-1 0.966 34.39 452.6 80 99 96 99 415 174.8 1.492 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8253 1741.6 15.4 scans 91% 91 m/z 0.027% 1.68% 5241 0.2 623 1697860 92245917 89074130 1-1 20: 91 155 199 90 65 92 89 44 120 63 137 106 39 64 134 78 185 121 50 58 0.989 34.79 452.6 80 100 98 99 199 175.3 7.918 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9138 1742.8 13.6 scans 27% 83 m/z (127) 1.5% 0.0560% 5256 1.5 121 30458 3075282 2890835 0-1 19: 83 69 97 84 125 67 82 55 224 98 123 154 96 133 79 54 81 152 220 0.828 34.90 0.1 89 93 94 98 224 15.0 1.526 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3518 1749.1 8.2 scans 64% 57 m/z (198) 0.17% 0.326% 5330 0.7 348 273445 17912465 16399613 3-1 20: 57 71 43 69 55 85 56 41 81 70 95 126 111 83 82 67 96 137 109 97 0.773 35.35 451.7 70 96 80 98 196 29.2 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6848 1753.9 8.9 scans 53% 123 m/z (71) 0.36% 0.151% 5387 1.3 228 126788 8297380 7463008 3-3 9: 123 77 175 131 194 106 225 192 179 0.956 35.70 451.2 67 88 88 91 224 43.7 3.669 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9292 1757.4 9.2 scans 32% 91 m/z (222) 0.34% 0.104% 5428 1.2 188 133553 5752847 5215434 2-5 9: 91 65 199 159 220 105 63 135 93 0.700 35.94 451.0 67 93 64 92 238 7.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2037 1775.6 8.4 scans 57% 209 m/z 0.12% 0.213% 5644 0.9 291 368801 11707101 11025710 2-2 19: 209 224 181 165 210 167 105 178 179 103 194 77 91 115 193 152 119 89 166 0.935 37.20 449.3 79 99 92 99 224 93.4 10.332 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 9.1 scans 61% 57 m/z (195) 0.54% 0.0950% 5788 1.0 177 85720 5214470 4683563 2-2 20: 57 71 85 43 56 225 41 99 55 155 224 127 113 98 69 141 197 83 169 42 0.943 38.06 448.1 74 99 96 99 225 30.3 2.916 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5886 1795.4 11.9 scans 96% 73 m/z 0.011% 6.51% 5878 0.4 1385 4200101 357419832 338239471 2-2 20: 73 147 221 341 207 267 223 325 191 343 133 205 279 45 59 251 145 403 117 415 0.983 38.59 447.3 80 99 97 99 429 410.4 8.783 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8289 1798.8 11.3 scans 50% 57 m/z (127) 0.68% 0.0688% 5919 0.7 143 68186 3775464 3580033 1-1 19: 57 71 85 43 41 56 113 182 183 196 111 42 70 72 69 155 141 98 100 0.958 38.91 -1.2 90 95 92 93 254 14.2 0.986 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4546 1867.5 8.2 scans 51% 74 m/z 0.40% 0.0683% 6025 0.9 169 114073 3747929 3433711 3-3 15: 74 87 143 55 75 213 256 199 59 129 225 88 157 60 101 0.807 39.45 506.0 71 97 81 95 256 25.9 2.350 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7858 1908.6 >5 scans 6.5% 155 m/z 0.23% 0.0897% 6081 0.2 283 195144 4921748 4581948 2-0 12: 155 239 167 237 181 238 355 211 64 147 49 115 0.105 40.66 528.1 63 87 14 86 278 57.4 4.125 -0.876 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.9186 1925.0 >22 scans 95% 95 m/z 0.015% 13.1% 6104 0.1 1578 3040362 13.6% 721769166 716750684 746072394 0-1 20: 95 82 123 81 55 67 69 43 57 83 41 97 124 109 96 111 79 110 137 56 0.999 39.94 555.9 81 100 100 100 278 107.6 0.465 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 39.9629 1930.5 5.7 scans 48% 58 m/z 0.21% 0.124% 6111 1.3 287 215988 6848676 6462146 0-3 11: 58 43 59 71 109 110 124 250 56 165 125 0.824 39.98 560.8 65 84 79 96 268 10.8 0.141 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9635 1930.6 >5 scans 73% TIC 0.19% 0.169% 6111 2.0 353 244987 9301796 8640998 0-9 0.953 39.88 562.3 76 96 94 96 250 34.8 0.973 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3366 1976.9 7.6 scans 44% 149 m/z (99) 0.16% 0.0654% 6174 1.0 164 290252 3592918 3343563 2-2 10: 149 150 223 104 76 167 205 105 132 50 0.897 40.31 602.0 74 97 81 98 223 36.3 4.898 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1110 Phytol 40.3992 1984.6 7.4 scans 51% 81 m/z 0.39% 0.127% 6185 1.2 244 117681 0.138% 6994636 6319233 7570440 3-0 16: 81 82 95 68 123 67 43 79 69 96 83 124 109 97 278 110 0.732 40.66 -32.6 87 92 67 90 278 32.1 1.723 -0.263 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6135 2011.2 >7 scans 34% TIC 1.7% 0.00640% 6221 0.0 99 26603 0.0211% 351224 319500 1157509 3-0 0.853 40.63 631.1 72 93 89 99 369 15.7 2.500 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1254 Phytol 40.8578 2041.5 8.3 scans 77% 82 m/z (197) 0.28% 0.260% 6263 1.2 310 162257 14297235 13554873 1-3 19: 82 95 81 123 57 68 43 71 67 79 96 41 83 55 69 109 278 124 97 0.973 40.87 -1.2 95 98 97 99 278 41.3 1.774 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0113 2060.5 8.5 scans 42% 138 m/z 0.64% 0.0562% 6289 1.1 157 72865 3086109 2914820 1-1 14: 138 120 109 69 121 124 83 139 65 92 93 262 82 68 0.841 41.00 674.7 79 100 83 99 262 21.6 1.885 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1123 2073.0 9.9 scans 42% 81 m/z (266) 1.6% 0.0832% 6306 1.0 164 27601 4566072 4078912 1-2 20: 81 109 95 262 191 229 123 107 177 121 82 106 137 93 263 91 83 149 161 122 0.926 41.13 685.2 73 96 87 96 262 29.3 3.167 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2498 2090.1 7.9 scans 75% 79 m/z 0.20% 0.289% 6329 0.9 353 232817 15859380 15242226 1-2 20: 79 93 67 95 80 91 108 55 121 41 81 77 94 107 87 135 59 78 122 53 0.891 41.26 -0.9 98 100 90 98 264 25.0 0.501 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4399 2113.7 8.9 scans 65% TIC 0.43% 0.204% 6361 0.9 288 106653 11209164 10368132 2-2 0.863 41.49 -82.9 83 99 87 98 276 19.2 0.443 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5680 2123.8 8.1 scans 13% 187 m/z (238) 2.2% 0.0149% 6383 1.4 75 20996 0.0160% 818418 745969 877732 1-0 6: 187 272 160 273 131 188 0.825 41.76 726.1 63 87 55 89 272 27.8 13.922 -0.193 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0432 2150.4 9.6 scans 95% 74 m/z 0.011% 3.80% 6464 0.4 1150 4028070 208880330 199271428 3-1 20: 74 87 143 43 55 75 227 270 41 69 57 239 129 83 59 185 97 171 101 71 0.995 42.01 748.4 80 99 99 99 272 29.8 0.000 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3136 2165.6 9.4 scans 89% 73 m/z 0.053% 0.877% 6509 1.1 554 879675 48161622 44361362 2-3 20: 73 147 281 355 429 503 341 207 282 430 222 148 356 504 283 415 74 295 357 431 0.981 42.37 756.6 74 91 94 99 503 91.9 2.747 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 42.5308 2177.8 8.0 scans 22% 85 m/z (159) 3.7% 0.0111% 6546 0.9 68 12389 614008 574776 0-1 19: 85 169 57 113 155 43 99 153 127 182 211 125 69 55 141 140 210 108 197 0.638 41.48 58.8 62 87 70 83 268 2.6 0.000 1.048 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9954 2203.9 7.8 scans 45% 82 m/z 0.33% 0.0439% 6625 0.8 141 140925 2412555 2235776 2-2 10: 82 81 95 292 96 108 94 53 137 149 0.756 43.03 781.8 64 89 75 87 292 19.8 1.988 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1112 Phyllocladene 43.1613 2213.2 8.1 scans 14% 187 m/z (98) 4.1% 0.0127% 6653 0.9 65 11336 700256 548278 4-2 11: 187 119 134 161 272 105 131 59 160 257 173 0.555 43.24 -4.2 89 97 72 96 272 15.9 5.923 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2688 2219.2 8.7 scans 19% 159 m/z (110) 2.3% 0.00994% 6672 1.3 56 20058 545362 484181 0-5 12: 159 160 271 129 186 157 144 128 87 142 199 131 0.678 43.31 791.6 68 98 73 96 270 12.0 4.690 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1020 ? Icosane 43.8514 2252.0 8.8 scans 46% 71 m/z (205) 1.4% 0.0380% 6770 1.2 115 32390 2085473 1965079 0-2 17: 71 57 85 43 127 267 239 55 99 41 126 169 113 70 72 84 268 0.880 43.94 -4.7 70 88 86 85 282 5.5 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2947 2277.3 6.6 scans 20% 221 m/z (257) 4.3% 0.00766% 6845 1.1 56 10658 420600 333532 12-9 15: 221 73 147 295 185 281 222 296 369 207 208 148 158 370 341 0.669 44.32 830.0 68 98 81 98 369 10.7 3.680 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1584 2327.0 9.1 scans 29% TIC 1.7% 0.0375% 6991 1.3 117 27133 2059518 1870356 2-3 0.392 44.90 14.8 85 91 36 86 272 12.3 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7859 2363.2 7.8 scans 63% 73 m/z 0.58% 0.0597% 7097 1.1 158 79745 3277099 3028756 2-3 20: 73 355 147 221 356 357 207 281 429 222 341 282 148 358 415 283 401 503 149 267 0.884 45.78 0.6 97 98 86 97 503 15.8 1.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9170 2370.7 10.3 scans 27% 74 m/z (160) 1.7% 0.0172% 7119 1.1 78 26982 0.0247% 945689 881592 1354999 2-0 16: 74 87 255 75 143 298 241 199 256 213 88 129 130 144 185 227 0.817 45.92 892.0 69 93 66 91 298 16.3 4.343 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1029 2381.4 7.9 scans 88% 79 m/z 0.10% 0.640% 7151 1.0 519 457499 35126294 32918797 1-4 20: 79 67 95 93 80 108 81 55 41 91 94 107 77 121 69 135 109 59 78 87 0.965 46.13 -1.8 97 96 97 99 292 37.9 0.532 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN HCMIX_~1-N1022 ?? Henicosane 46.1891 2386.4 >9 scans 17% 71 m/z (140) 3.9% 0.00974% 7165 1.6 54 11862 534397 421635 0-3 8: 71 85 113 99 169 43 72 197 0.902 46.28 -5.3 66 73 58 69 296 5.0 0.000 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.4205 2399.7 8.7 scans 8.1% 177 m/z (71) 8.5% 0.00357% 7205 1.3 34 5455 0.00369% 196115 171980 202427 5-1 4: 177 195 178 290 0.467 46.49 -4.3 75 86 32 80 290 6.6 3.654 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7576 2419.1 7.8 scans 74% 74 m/z 0.28% 0.110% 7262 1.0 219 164993 6070528 5679236 2-3 20: 74 87 75 43 143 55 298 255 41 199 69 57 101 129 83 59 97 88 267 213 0.916 46.76 924.0 78 99 91 98 298 40.7 3.446 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.4997 2461.8 7.8 scans 52% 138 m/z 1.0% 0.0278% 7388 1.1 112 45367 1525422 1423976 1-7 17: 138 120 121 57 43 139 55 70 306 110 111 92 56 168 93 65 84 0.784 47.50 949.0 75 96 74 95 168 15.8 1.996 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9342 2544.4 8.0 scans 49% 73 m/z 2.7% 0.0104% 7631 1.0 66 17106 573515 553896 2-4 19: 73 147 355 429 221 356 281 430 222 267 431 357 283 207 358 265 295 327 342 0.733 48.95 994.0 71 97 71 96 429 20.2 9.483 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8569 2712.5 8.4 scans 25% 207 m/z 4.4% 0.00334% 8126 1.0 38 10490 183578 180673 0-4 15: 207 429 341 356 295 503 222 148 431 282 504 71 133 369 401 0.397 51.86 1081.6 67 92 39 87 503 8.5 5.105 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6202 2871.5 9.5 scans 42% 356 m/z (57) 5.7% 0.00654% 8594 1.2 46 8075 358822 325117 2-8 16: 356 73 355 221 147 295 222 429 369 357 341 148 74 401 415 296 0.684 45.81 1395.0 67 95 71 92 503 6.8 2.246 8.808 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1279 771.7 4.9 scans 90% 77 m/z (72) 0.033% 0.373% 41 2.7 328 1257305 12465676 10542751 0-9 17: 77 45 78 79 62 76 59 75 63 47 61 46 92 60 58 64 48 1.000 4.37 17.7 99 100 99 100 77 279.3 72.535 -0.243 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.2431 826.8 12.0 scans 51% 57 m/z (91) 0.64% 0.0616% 399 0.2 94 64967 2057943 1792607 1-8 9: 57 39 59 87 58 102 38 50 100 0.691 6.03 -134.8 71 96 87 97 102 9.6 1.043 0.210 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5896 835.8 >20 scans 69% TIC 0.40% 0.0747% 458 2.8 104 102843 0.0846% 2497187 2411519 2825188 1-0 0.805 6.53 -141.0 80 100 85 99 207 79.9 58.614 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6864 864.4 8.7 scans 93% TIC 0.23% 0.493% 644 2.3 300 174240 16474598 15157188 1-3 0.990 7.71 9.1 100 100 99 100 98 61.5 4.183 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2751 983.8 >12 scans 15% 251 m/z (79) 1.9% 0.0134% 1419 35.6 57 21527 0.0543% 448913 448913 1813330 0-0 7: 251 195 283 206 161 178 203 0.380 12.22 37.5 83 93 74 95 281 36.6 41.111 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6824 994.4 9.9 scans 72% 81 m/z 0.20% 0.171% 1490 2.2 171 202007 5737809 5395798 1-2 18: 81 110 53 39 41 67 79 68 65 82 51 95 91 66 40 50 54 111 0.825 13.22 30.8 93 96 80 98 110 55.4 10.421 -0.540 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1022 ? Octanal 12.9380 1001.1 7.8 scans 68% 57 m/z (59) 1.9% 0.0612% 1533 1.5 117 20982 2045801 1829692 2-5 19: 57 84 56 43 44 41 55 82 69 42 68 85 67 100 95 54 99 58 101 0.962 12.96 -173.7 74 97 93 98 110 10.5 0.807 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1016 Limonene 13.9121 1027.5 8.2 scans 84% TIC 0.28% 0.243% 1698 1.3 243 146726 8147560 7302556 2-3 0.942 13.89 52.2 91 100 97 99 136 48.5 3.980 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0968 1032.5 10.0 scans 91% 79 m/z 0.090% 0.763% 1730 1.4 366 462063 25485926 23274138 2-4 20: 79 108 107 77 51 91 78 50 80 89 90 63 109 39 65 52 53 105 74 62 0.990 14.11 53.5 92 100 99 100 108 162.6 19.756 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4569 1042.3 9.5 scans 90% 91 m/z 0.051% 0.555% 1791 1.4 322 812921 18550076 16143252 2-7 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 38 66 74 41 52 75 0.981 14.44 57.5 91 100 98 100 120 105.6 10.758 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0178 1057.5 8.3 scans 38% TIC 2.4% 0.0207% 1886 1.2 80 16905 693169 644278 1-1 0.589 18.83 4.8 70 83 64 82 122 2.3 0.000 -3.812 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1836 1062.0 12.9 scans 89% 105 m/z 0.068% 0.614% 1914 1.3 327 611555 0.991% 20521439 19645085 33094100 2-0 19: 105 77 123 51 46 106 50 78 74 76 79 94 52 75 104 64 39 62 38 0.979 15.17 64.6 89 99 97 100 123 119.1 13.228 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN 98-86-2 ? Acetophenone 15.2710 1064.3 >13 scans 81% TIC 0.079% 0.446% 1928 1.3 301 525148 0.841% 14922073 13731481 28084902 0-3 0.989 15.29 -181.4 79 98 98 99 120 101.1 11.257 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4333 1068.7 9.0 scans 68% 95 m/z (120) 0.36% 0.142% 1956 1.3 170 113877 4746126 4255088 1-2 19: 95 81 124 43 91 119 109 53 39 65 82 96 41 92 66 123 63 52 51 0.937 15.43 67.0 82 95 91 99 124 47.6 7.851 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2185 1090.0 8.8 scans 40% 132 m/z (119) 2.7% 0.0173% 2089 1.5 61 15412 580067 558043 1-1 13: 132 117 131 115 92 116 118 129 99 89 63 75 128 0.843 16.25 -184.6 73 97 81 98 132 30.9 25.409 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1002 ? Undecane 16.6081 1100.9 9.7 scans 46% TIC 0.90% 0.0550% 2155 1.2 111 46416 1838903 1665646 2-1 0.563 16.59 0.9 77 94 64 92 156 14.0 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7864 1108.4 8.5 scans 79% 57 m/z (107) 0.17% 0.566% 2185 1.0 339 245757 18917113 17072789 3-4 16: 57 41 56 55 98 70 44 69 68 95 96 81 42 54 45 114 0.905 16.82 86.0 79 99 90 99 124 24.2 0.509 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9635 1115.9 8.5 scans 57% 71 m/z 0.78% 0.0538% 2215 1.2 115 53296 1799781 1656304 1-9 17: 71 95 110 43 58 128 84 85 55 72 57 69 70 96 111 113 56 0.886 16.97 91.2 77 97 86 96 128 30.8 7.154 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0621 1120.1 9.5 scans 91% 91 m/z 0.030% 1.12% 2232 1.1 467 1370408 37657553 34015037 3-4 20: 91 92 122 65 51 77 63 39 93 89 78 103 104 123 50 62 90 52 64 74 0.988 17.05 94.1 82 99 98 100 122 157.4 11.369 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1024 ? p-Cymene 17.7037 1147.2 8.5 scans 80% TIC 0.44% 0.138% 2341 1.0 179 94830 4632977 4073221 2-3 0.938 13.76 -52.3 78 84 74 90 134 60.9 11.521 3.947 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0780 1163.0 9.4 scans 63% 355 m/z 0.66% 0.0730% 2404 1.6 123 62406 2438298 2257294 2-2 20: 355 73 267 356 357 268 269 251 249 74 323 339 121 203 75 253 119 237 179 359 0.841 18.13 -168.7 78 98 80 98 355 57.2 21.490 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN M4942-N1002 ?? Pyranone 18.1353 1165.4 10.5 scans 35% 101 m/z (355) 2.1% 0.0307% 2413 1.3 73 19786 1027642 947609 2-3 4: 101 144 145 55 0.845 20.04 -225.1 69 95 81 95 144 33.1 20.279 -1.907 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7091 1189.6 8.1 scans 59% 98 m/z (124) 3.5% 0.0284% 2511 0.9 84 11926 950874 943705 0-1 18: 98 111 55 69 82 43 95 83 39 97 71 107 70 110 81 135 80 84 0.919 18.71 138.8 73 97 92 99 153 3.5 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1064 ?? Benzoic acid 18.8927 1197.4 >16 scans 19% 105 m/z 2.5% 0.0133% 2542 0.0 44 16164 0.0218% 445968 407248 728003 2-0 4: 105 104 113 106 0.555 20.03 126.7 65 91 55 90 122 28.3 42.089 -1.136 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1217 1207.1 8.3 scans 29% 82 m/z 2.8% 0.00686% 2581 1.0 47 14652 229397 206544 1-1 8: 82 81 54 43 39 53 107 111 0.899 19.12 150.0 72 95 80 94 97 8.8 3.496 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1012 ?? Nicotine 19.7026 1231.6 >9 scans 3.6% 105 m/z 10% 0.000553% 2679 1.0 16 3932 18484 16815 1-0 3: 105 133 57 0.460 25.78 76.3 62 100 100 100 162 0.0 0.000 -6.075 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8024 1235.8 9.9 scans 84% 57 m/z 0.15% 0.374% 2696 1.5 270 275259 12498960 11460814 2-2 20: 57 45 41 75 87 56 89 72 100 59 101 85 60 43 73 71 44 58 61 132 0.959 19.81 168.3 77 97 92 100 144 7.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1026 ?? Limonene 20.1513 1250.6 9.4 scans 32% 93 m/z (139) 4.6% 0.0178% 2755 0.9 57 8896 596705 532573 1-1 11: 93 136 121 68 92 41 91 105 96 65 81 0.561 13.94 45.7 62 81 48 83 136 17.4 9.372 6.216 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3213 1257.7 10.3 scans 42% 57 m/z (91) 2.5% 0.0213% 2784 1.1 62 16321 713869 636901 5-3 11: 57 71 85 170 41 54 70 56 42 140 168 0.845 20.32 0.0 86 94 84 94 170 7.9 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1034 ? Decanal 20.5255 1263.9 8.2 scans 86% TIC 0.30% 0.401% 2819 0.9 301 138858 13406666 11790926 3-8 0.945 20.57 -143.1 79 99 98 99 138 16.2 0.289 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1024 ? Hexadecane 20.7752 1271.4 9.4 scans 43% TIC 1.4% 0.0262% 2861 1.0 83 28780 877183 802909 1-1 0.644 33.32 4.4 72 80 85 81 226 0.0 0.000 -12.544 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9417 1276.4 12.0 scans 50% 94 m/z (137) 0.62% 0.0637% 2889 1.7 98 66896 2127658 1935709 6-2 4: 94 138 139 66 0.950 20.98 191.4 74 96 89 98 152 4.1 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9724 1277.3 >11 scans 3.5% 136 m/z 2.3% 0.00544% 2895 1.0 40 17496 181864 163543 1-1 6: 136 154 111 150 97 70 0.041 32.87 17.0 64 73 6 68 206 0.0 0.000 -11.901 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9943 1277.9 8.6 scans 75% 137 m/z (94) 0.50% 0.193% 2898 1.0 206 82104 6473141 6042209 2-2 18: 137 152 109 123 81 67 91 93 79 41 55 83 39 107 121 53 119 153 0.970 21.00 192.6 62 85 78 84 155 1.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.0899 1280.8 7.2 scans 14% 281 m/z 0.75% 0.0200% 2915 1.1 74 55228 669869 614169 0-5 15: 281 152 282 283 193 138 165 265 249 207 133 250 251 267 209 0.470 12.25 127.7 70 98 60 96 281 58.5 61.980 8.839 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2688 1286.2 >11 scans 40% TIC 3.0% 0.0186% 2944 0.9 88 13595 622593 585559 0-2 0.851 16.82 -5.2 74 79 73 79 124 7.4 0.000 4.454 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4435 1291.4 6.7 scans 4.5% 281 m/z (139) 12% 0.00244% 2974 0.9 25 3369 81599 71450 2-1 6: 281 147 369 148 73 283 0.532 21.56 -147.3 62 94 60 90 369 8.3 0.000 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1030 ?? Contamination 21.50min 21.4435 1291.4 6.7 scans 4.5% 281 m/z (139 164) 12% 0.00246% 2974 0.9 25 3437 82186 71963 2-1 6: 281 147 369 148 73 283 0.487 21.50 198.6 60 95 61 91 369 6.7 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 22.7900 1331.8 13.9 scans 64% 73 m/z (99) 0.68% 0.165% 3202 0.2 154 60611 5537817 5198340 1-1 19: 73 60 57 55 129 115 41 43 98 61 39 87 96 45 56 83 101 42 70 0.924 22.70 -143.5 72 93 92 97 158 10.2 0.437 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1016 ? Nicotine 22.7900 1331.8 13.9 scans 59% 73 m/z (69) 0.67% 0.154% 3202 0.2 148 62376 5164756 4848148 1-1 19: 73 60 57 55 129 115 41 43 98 61 39 87 96 45 56 83 101 42 70 0.941 25.35 182.6 72 96 88 96 162 0.0 0.000 -2.564 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8969 1335.0 9.1 scans 62% 69 m/z (57) 0.46% 0.137% 3220 1.6 162 89764 4589497 4290340 2-2 9: 69 109 43 86 110 59 128 95 67 0.941 22.91 221.4 72 95 94 96 127 20.1 1.537 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8337 1363.2 9.7 scans 39% 57 m/z (72) 1.1% 0.0450% 3379 1.0 90 36878 1502928 1447032 1-1 10: 57 85 71 84 56 70 184 98 154 113 0.772 23.86 -0.8 85 91 68 88 184 12.6 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0870 1371.5 7.3 scans 57% 73 m/z 0.36% 0.126% 3422 1.1 186 114782 4212976 3901302 2-4 17: 73 341 429 342 325 147 343 430 431 82 326 432 344 74 207 68 96 0.829 24.17 -152.3 78 98 75 98 429 55.2 8.814 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5398 1386.6 7.8 scans 73% TIC 0.54% 0.0732% 3499 1.5 154 76755 0.0979% 2446287 2264040 3269336 1-0 0.922 24.54 249.3 78 99 93 98 169 17.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1004 ?? Nicotine 25.4631 1417.5 19.4 scans 53% 84 m/z (105) 0.47% 0.155% 3655 2.6 132 87962 5198262 4811940 2-0 18: 84 133 162 93 55 144 163 91 102 117 51 76 69 157 160 54 39 147 0.807 25.89 260.5 63 87 71 87 162 32.8 6.163 -0.429 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1080 ?? Solanone 25.7818 1428.1 8.1 scans 17% TIC 2.7% 0.00557% 3709 1.3 53 15469 186265 176201 0-1 0.419 25.78 272.8 66 91 46 88 194 9.6 3.281 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0918 1471.9 6.6 scans 42% 221 m/z 1.6% 0.0192% 3931 0.9 77 24815 641362 623113 1-2 19: 221 147 73 267 281 222 355 282 223 148 149 443 356 283 268 251 249 269 445 0.763 27.12 297.0 74 96 72 94 355 16.8 4.781 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 8.1 scans 76% 57 m/z 0.32% 0.132% 3944 1.0 186 130256 0.224% 4414288 4234550 7480402 1-0 20: 57 71 43 85 41 55 56 99 70 84 98 42 97 69 112 113 127 126 198 141 0.954 27.21 -1.4 97 97 91 96 198 23.8 1.641 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8332 1499.3 8.2 scans 54% 71 m/z (159) 0.60% 0.132% 4057 1.6 168 68706 4428052 4162886 2-2 15: 71 57 43 85 70 41 169 55 99 56 113 79 153 140 42 0.756 27.84 314.0 61 94 78 95 212 8.3 0.242 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6556 1530.2 8.5 scans 79% TIC 0.11% 0.420% 4196 0.9 316 361826 14038700 12494620 4-1 0.940 28.67 332.8 78 98 92 97 194 21.1 0.445 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0912 1546.6 7.7 scans 84% 71 m/z (166) 0.094% 0.698% 4269 1.0 414 443910 0.847% 23324051 22289857 28285270 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 69 42 177 140 127 0.982 29.10 342.7 70 92 95 95 227 8.5 0.042 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0912 1546.6 7.7 scans 85% 71 m/z (59) 0.093% 0.703% 4269 1.0 416 446825 0.853% 23483073 22441828 28485638 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 183 69 42 177 140 127 0.985 29.09 342.9 67 89 93 90 220 32.8 0.623 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5174 1562.6 7.5 scans 55% 73 m/z 0.23% 0.221% 4342 1.1 243 176842 7412642 6819431 2-2 20: 73 281 147 327 282 415 503 341 163 283 328 399 221 74 504 416 148 329 342 326 0.892 29.61 -150.5 77 97 87 98 503 42.5 3.064 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7536 1571.5 15.0 scans 73% TIC 0.076% 0.253% 4382 1.4 272 549822 0.390% 8461590 8461590 13023914 0-0 0.967 29.77 357.5 78 98 94 98 193 22.6 0.686 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9372 1578.4 8.7 scans 71% 71 m/z 0.10% 0.582% 4413 0.8 358 411606 19466755 17871258 1-2 20: 71 85 57 43 99 113 69 41 127 55 70 84 155 56 83 169 72 126 86 42 0.898 29.94 362.0 76 97 89 96 254 10.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3179 1592.7 8.4 scans 36% 57 m/z (168) 0.74% 0.0614% 4477 1.3 124 56396 0.0881% 2052764 2040474 2942069 1-0 20: 57 71 43 85 212 41 56 55 84 70 213 99 42 69 98 72 83 151 58 154 0.919 30.38 -2.2 83 92 91 89 212 17.4 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4838 1599.4 8.2 scans 83% 191 m/z 0.033% 0.687% 4505 1.1 413 1260807 22945323 21783326 2-4 20: 191 206 192 57 163 74 175 91 115 41 207 107 88 73 77 147 128 161 121 105 0.965 30.50 374.6 80 100 96 100 206 112.2 7.365 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8156 1613.3 8.4 scans 30% 137 m/z (71) 1.1% 0.0422% 4561 0.9 97 37977 1411659 1293151 3-2 6: 137 124 180 138 54 181 0.899 30.81 383.9 72 95 85 95 180 27.1 7.847 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8723 1615.7 8.9 scans 32% TIC 0.65% 0.0436% 4571 1.1 122 63689 1457653 1314809 1-2 0.496 30.88 -0.3 84 91 41 88 204 33.2 7.339 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1887 1629.0 9.1 scans 72% 111 m/z (183) 0.10% 0.639% 4625 0.8 364 402765 21364676 19528734 2-1 20: 111 109 137 43 180 67 110 152 124 41 95 79 39 77 81 69 112 55 341 53 0.858 31.18 394.0 76 97 95 100 180 77.3 4.518 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5069 1642.4 10.1 scans 39% TIC 0.43% 0.0671% 4679 1.2 133 96089 2243611 2109355 1-1 0.565 31.52 -0.3 91 96 63 93 166 30.6 5.327 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9148 1659.5 8.0 scans 58% 71 m/z (143) 0.88% 0.128% 4748 0.6 159 47021 4288520 4062066 1-1 20: 71 83 57 82 85 43 55 69 41 111 99 70 113 84 56 155 112 97 72 125 0.947 31.92 -0.2 80 88 92 89 219 5.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0582 1665.5 6.5 scans 58% 221 m/z (71) 0.30% 0.129% 4772 1.0 195 135747 4313234 4080722 2-1 20: 221 73 147 222 295 207 341 355 223 325 281 296 148 297 191 342 74 356 208 343 0.938 32.08 -0.9 95 97 94 98 355 33.6 2.980 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2300 1672.8 8.4 scans 59% 57 m/z (121) 0.45% 0.150% 4801 1.6 175 91265 5013781 4730669 1-1 18: 57 71 43 85 41 56 99 183 55 149 70 113 182 140 42 141 69 83 0.911 32.24 -0.3 93 99 94 98 226 8.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4349 1681.4 9.4 scans 62% 57 m/z (327) 0.46% 0.150% 4836 0.9 172 90035 5016611 4598925 1-2 20: 57 71 85 56 43 197 41 196 55 99 113 97 111 70 98 127 141 83 168 58 0.933 32.44 -0.3 85 91 90 90 226 6.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.5 scans 76% 205 m/z (153) 1.1% 0.202% 4875 1.0 213 35657 6763392 6177184 2-2 20: 205 119 91 93 105 159 43 107 162 79 147 131 41 77 106 121 123 146 145 67 0.977 32.67 -0.4 93 95 93 98 220 12.9 0.366 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8605 1699.3 7.5 scans 26% 70 m/z (149) 0.74% 0.0483% 4908 1.6 105 56393 1615444 1466139 9-2 2: 70 195 0.768 32.87 -0.2 70 79 68 81 186 1.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9266 1702.0 7.7 scans 54% 71 m/z 0.12% 0.145% 4919 0.8 192 339926 4867822 4510946 3-1 11: 71 43 159 111 243 173 155 72 143 89 73 0.883 32.93 -0.3 95 97 92 96 243 33.1 2.980 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0795 1708.5 7.4 scans 43% 83 m/z (216) 2.5% 0.0486% 4946 1.1 111 16290 1625852 1525382 9-0 20: 83 97 55 70 69 57 41 43 56 84 85 98 68 71 39 182 96 125 126 42 0.903 33.09 -0.2 90 95 96 98 224 5.7 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3062 1718.0 7.7 scans 68% 57 m/z 0.29% 0.150% 4983 0.8 206 142804 0.173% 5039759 4660802 5777275 0-9 19: 57 71 43 85 41 56 99 55 70 226 42 113 84 69 98 112 83 140 58 0.935 33.37 -2.8 90 93 90 92 226 25.1 1.479 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8883 1728.2 7.5 scans 49% 71 m/z (142) 1.1% 0.0644% 5082 1.1 122 36425 2151764 1845967 11-0 18: 71 57 43 85 70 197 41 196 99 55 113 56 141 127 140 42 225 84 0.923 33.90 -0.1 92 97 94 98 197 23.0 3.572 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2708 1733.6 7.6 scans 47% 57 m/z (174) 0.89% 0.0582% 5147 0.8 120 46806 1945797 1818431 0-1 18: 57 71 43 85 210 211 98 41 99 113 182 70 127 183 56 141 97 68 0.921 34.27 0.0 88 93 92 97 211 22.7 3.585 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3564 1734.9 8.9 scans 94% 73 m/z 0.014% 5.01% 5162 0.8 1071 2945300 167410661 157429181 2-2 20: 73 221 147 281 356 401 357 282 222 402 327 283 148 74 358 223 325 75 149 417 0.996 34.39 451.9 81 100 99 100 415 131.7 1.513 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7490 1740.5 10.8 scans 81% TIC 0.046% 1.06% 5228 0.4 440 907455 35704733 33181996 1-2 0.940 34.79 451.5 79 99 93 99 199 126.7 8.296 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8983 1742.6 8.2 scans 42% 68 m/z (71) 0.80% 0.111% 5253 1.3 157 51899 3718395 3370719 2-2 3: 68 69 54 0.909 34.90 -0.1 94 97 97 99 224 20.1 1.639 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3458 1749.0 8.2 scans 80% TIC 0.17% 0.533% 5329 0.9 371 237223 17820812 15824645 6-1 0.935 35.35 451.6 77 99 96 99 196 33.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9249 1757.3 >10 scans 38% TIC 1.0% 0.0547% 5427 1.0 149 41432 0.109% 1827726 1735204 3640017 1-0 0.685 35.94 450.9 69 94 69 93 238 6.3 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5022 1765.6 7.3 scans 46% 221 m/z 0.22% 0.231% 5525 1.1 249 181925 7730897 7230556 2-2 20: 221 73 147 295 207 281 222 369 223 341 296 148 282 297 267 327 74 370 355 208 0.932 36.58 449.1 77 98 94 98 369 40.1 2.590 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1876 1775.4 8.5 scans 21% 209 m/z (71) 1.2% 0.0340% 5641 1.3 87 33323 1137864 1076376 2-2 16: 209 224 181 211 165 210 167 179 103 182 239 194 115 178 212 193 0.744 37.20 449.1 71 95 81 98 224 27.7 10.156 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.2992 1777.0 9.2 scans 60% 71 m/z (216) 0.58% 0.165% 5660 1.2 179 70956 5514657 4863255 1-4 20: 71 85 57 43 99 113 127 84 41 69 55 169 155 56 70 197 126 111 141 42 0.963 38.91 -23.0 79 83 94 83 254 0.0 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0536 1787.8 8.0 scans 59% 57 m/z 0.41% 0.104% 5788 1.0 175 101873 3502397 3341330 2-1 20: 57 71 85 43 56 41 225 99 55 224 113 69 70 127 169 141 239 155 83 42 0.848 38.06 448.1 76 97 84 95 225 35.4 4.110 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5619 1795.0 9.4 scans 91% 73 m/z 0.025% 2.78% 5874 0.9 766 1632063 92885677 84608226 2-3 20: 73 429 147 221 355 430 281 341 207 401 222 148 342 295 282 325 432 459 343 402 0.990 38.59 446.9 80 99 98 100 429 227.1 8.803 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1014 ?? Heptadecane 39.3346 1852.6 >14 scans 16% 57 m/z (82) 5.7% 0.0122% 6005 0.7 47 7282 0.0163% 409772 362446 544333 5-0 6: 57 140 113 196 155 169 0.747 36.21 1.7 62 82 65 78 240 3.2 0.000 3.124 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4438 1866.2 7.9 scans 44% 74 m/z 0.74% 0.0579% 6023 1.2 121 55854 1936140 1794357 2-6 16: 74 87 75 213 228 102 211 129 60 171 199 157 185 225 229 101 0.782 39.45 504.7 76 99 81 97 256 19.2 2.532 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7975 1910.0 >6 scans 6.2% 235 m/z 0.25% 0.300% 6083 0.2 298 163376 0.916% 10042553 9194312 30589501 2-0 6: 235 237 103 264 37 281 0.112 40.66 529.5 61 84 13 83 278 58.9 3.906 -0.865 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8541 1917.1 15.7 scans 96% 95 m/z 0.016% 14.5% 6093 0.2 1421 2527253 485425290 476798293 0-1 20: 95 68 82 123 81 69 57 55 83 43 67 41 97 109 96 124 111 79 137 110 0.995 39.94 548.0 81 100 99 100 278 89.4 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9173 1924.9 6.6 scans 68% TIC 0.35% 0.151% 6103 1.3 237 116785 5073654 4664017 0-2 0.930 39.88 556.6 76 97 91 96 250 24.9 1.103 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3164 1974.4 7.9 scans 52% 149 m/z (99) 0.19% 0.0885% 6171 1.1 147 210542 2955986 2850276 1-3 10: 149 150 104 76 223 167 205 65 132 162 0.961 40.31 599.5 76 99 96 99 223 29.1 3.894 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N406_R~1-N1110 Phytol 40.3866 1983.1 7.9 scans 38% 81 m/z (237) 1.3% 0.0718% 6183 1.2 125 31841 0.0830% 2400893 2212921 2771756 6-0 11: 81 95 82 123 68 79 109 124 96 110 137 0.836 40.66 -34.1 83 93 72 91 278 16.1 1.670 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5891 2008.2 7.5 scans 76% 221 m/z 0.27% 0.192% 6217 1.1 227 153455 6431639 6036838 2-2 20: 221 73 147 295 281 207 222 369 223 296 282 148 355 74 297 283 208 326 341 401 0.949 40.63 628.1 75 94 95 99 369 37.9 2.797 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1254 Phytol 40.8476 2040.2 7.7 scans 73% 82 m/z (98) 0.85% 0.158% 6261 1.2 193 48963 5281857 4811325 1-5 19: 82 81 95 68 123 57 43 79 69 67 71 96 55 41 83 278 124 97 109 0.969 40.87 -2.5 96 99 98 99 278 24.5 1.608 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9994 2059.0 8.2 scans 36% 138 m/z 1.1% 0.0400% 6287 1.1 107 35896 1337373 1251410 1-0 13: 138 109 120 69 121 124 139 83 262 82 65 93 68 0.809 41.00 673.2 78 99 79 98 262 15.6 2.135 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.1015 2071.7 10.0 scans 34% 109 m/z 1.6% 0.0674% 6304 0.9 125 25318 2252049 2102806 1-1 17: 109 81 95 123 43 177 136 107 105 135 96 93 247 91 67 122 263 0.658 41.13 683.9 74 96 64 94 262 28.6 5.276 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2373 2088.5 8.0 scans 67% 79 m/z (196) 0.80% 0.146% 6327 0.9 186 51722 4878705 4432420 2-1 20: 79 67 93 80 95 41 91 121 55 108 81 94 77 107 135 136 59 87 83 78 0.954 41.26 -2.5 94 97 94 98 264 11.8 0.405 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4037 2109.2 14.4 scans 6.6% 71 m/z (205) 2.5% 0.0236% 6355 2.0 58 16306 789406 789406 0-0 14: 71 188 108 58 99 185 59 211 100 126 268 72 154 244 0.514 41.48 -9.8 65 89 45 81 268 7.6 0.000 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4321 2112.7 8.2 scans 65% 205 m/z 0.48% 0.249% 6360 0.8 250 85919 8341170 7434653 2-3 20: 205 217 57 175 189 177 55 232 91 41 261 206 220 192 203 191 161 77 79 67 0.856 41.49 -83.9 83 99 86 98 276 17.3 0.478 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5643 2123.6 >8 scans 29% TIC 3.0% 0.0152% 6382 0.0 84 13510 0.0562% 509777 483347 1876779 1-0 0.680 41.76 725.9 66 89 60 91 272 21.4 6.464 -0.197 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0076 2148.5 8.2 scans 92% 74 m/z 0.022% 2.33% 6458 0.8 751 1818677 77894995 71376490 3-2 20: 74 87 143 43 55 75 227 41 270 69 57 129 239 83 59 101 97 199 84 98 0.992 42.01 746.5 80 100 99 99 272 19.0 0.064 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1694 2157.5 9.5 scans 8.8% TIC 6.6% 0.00426% 6485 1.1 40 6244 142262 131699 1-1 0.199 42.05 6.9 73 87 14 81 272 5.5 0.000 0.124 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.1700 2157.6 8.4 scans 10% 81 m/z 6.8% 0.00599% 6485 0.9 44 6104 200331 167938 5-2 19: 81 95 98 41 189 119 67 225 107 91 187 79 69 105 175 77 109 136 161 0.254 42.40 -12.8 70 76 18 71 272 5.5 0.000 -0.229 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3323 2166.7 8.1 scans 84% 73 m/z 0.15% 0.366% 6512 0.9 300 272824 12229122 11742344 1-3 20: 73 147 281 221 355 503 341 282 429 356 430 504 74 415 505 431 342 461 325 267 0.962 42.37 757.7 75 93 94 98 503 50.5 2.832 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 43.5283 2233.8 8.0 scans 12% 70 m/z (159) 7.9% 0.00465% 6715 0.7 33 5247 155590 139495 3-0 9: 70 96 81 137 107 216 73 65 133 0.467 43.55 -1.4 63 82 22 73 272 5.0 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8583 2252.3 9.8 scans 52% 57 m/z (220) 1.7% 0.0499% 6771 1.0 99 24193 1667517 1561841 0-2 19: 57 55 206 41 126 113 183 268 155 69 219 169 105 56 54 39 67 77 239 0.898 43.94 -4.4 60 66 82 81 282 3.0 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN N419_R~1-N1158 ?? Manool oxide 44.2598 2275.3 8.4 scans 21% 257 m/z (221) 5.0% 0.0219% 6839 1.4 70 8202 733308 653878 2-1 10: 257 192 82 137 123 121 151 241 122 276 0.771 43.83 837.7 69 96 77 94 275 20.0 8.172 0.433 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1577 2327.0 8.6 scans 83% 137 m/z 0.55% 0.342% 6991 1.1 279 75054 11422966 10264771 3-4 20: 137 81 95 69 93 257 71 55 107 123 109 79 41 43 67 121 91 80 136 105 0.926 44.90 14.8 84 85 83 85 272 19.8 0.506 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7805 2362.8 7.6 scans 81% 73 m/z (69) 0.35% 0.161% 7097 1.1 200 117364 5398641 5045274 2-3 20: 73 355 147 221 281 356 357 207 429 222 341 282 295 148 415 401 74 503 430 223 0.931 45.78 0.2 97 99 93 98 503 17.3 0.748 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9145 2370.5 17.7 scans 21% 255 m/z (67) 2.6% 0.0153% 7120 0.9 58 15817 0.0277% 514145 483017 925032 2-0 6: 255 298 87 143 75 199 0.722 45.92 891.8 64 91 64 89 298 12.0 4.340 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1028 2381.4 7.9 scans 86% 79 m/z 0.11% 0.873% 7151 0.9 466 377719 29180790 27170679 1-5 20: 79 67 95 93 108 80 81 55 41 91 107 94 77 121 69 135 109 59 78 149 0.944 46.13 -1.8 96 97 95 99 292 35.6 0.584 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN HCMIX_~1-N1022 ?? Henicosane 46.6099 2410.6 9.0 scans 37% 57 m/z (110) 6.3% 0.0116% 7237 1.3 50 6581 390317 349706 3-1 15: 57 71 97 43 111 69 127 141 109 125 70 108 98 42 197 0.758 46.28 18.9 69 81 73 77 296 0.0 0.000 0.328 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7616 2419.3 8.2 scans 55% 74 m/z 0.98% 0.0409% 7263 0.9 101 42495 1368198 1267377 1-5 17: 74 87 143 43 255 55 199 200 41 88 213 298 101 83 267 75 129 0.801 46.76 924.2 74 96 77 94 298 20.7 4.204 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9228 2543.7 7.7 scans 78% 73 m/z 0.61% 0.0891% 7629 1.2 148 68255 2977879 2767217 2-4 20: 73 147 221 355 429 281 430 356 207 357 295 431 222 296 149 282 283 74 401 343 0.869 48.95 993.3 73 94 90 99 429 40.6 7.498 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8449 2711.8 8.6 scans 70% 73 m/z 0.92% 0.0600% 8124 1.0 116 45394 2006754 1852253 2-5 20: 73 147 221 429 430 503 282 207 431 281 355 341 399 283 296 327 505 369 297 343 0.792 51.86 1080.9 76 99 81 98 503 18.4 2.545 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0654 770.1 10.9 scans 63% 77 m/z 0.16% 0.154% 30 3.7 158 238588 3807436 3666882 0-2 15: 77 45 78 79 62 76 59 75 63 92 46 53 60 39 37 0.811 4.37 16.1 99 100 96 100 77 136.8 75.135 -0.306 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.1947 825.5 15.5 scans 54% 57 m/z (56) 1.1% 0.0312% 391 0.3 73 33865 0.0452% 770064 686816 1114182 2-0 9: 57 41 87 69 59 39 102 80 86 0.843 6.03 -136.1 71 94 89 95 102 8.5 1.354 0.162 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5902 835.8 13.4 scans 65% 207 m/z 0.57% 0.0644% 458 2.5 91 67746 1588016 1411157 2-2 20: 207 208 209 191 96 133 82 163 177 147 119 103 75 193 89 134 161 192 87 115 0.796 6.53 -141.0 79 99 78 99 207 72.9 64.823 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6853 864.3 8.8 scans 86% 69 m/z 0.63% 0.227% 643 2.6 195 61321 5600568 5320324 1-1 20: 69 55 83 41 39 42 57 98 70 97 56 80 43 53 79 54 38 40 68 51 0.939 7.71 9.0 100 99 93 99 98 41.3 4.497 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.9185 1000.6 10.2 scans 22% 57 m/z 0.65% 0.0420% 1528 1.7 86 59315 1036204 927722 2-3 16: 57 249 126 125 251 177 179 76 112 267 66 75 87 209 50 208 0.273 12.22 54.3 82 99 67 98 281 68.2 62.837 0.699 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.3070 1011.1 9.7 scans 83% TIC 0.26% 0.181% 1596 2.0 176 145405 4466425 4111312 2-3 0.938 13.22 47.5 90 96 91 99 110 52.6 8.942 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1022 ?? Octanal 13.5343 1017.3 7.7 scans 63% 57 m/z (71) 2.0% 0.0627% 1634 1.5 116 18608 1547111 1451522 1-5 15: 57 84 41 56 44 55 69 42 110 85 68 39 100 95 66 0.904 12.96 -157.5 67 92 78 93 110 14.6 1.587 0.579 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.2604 1037.0 8.4 scans 34% 119 m/z (45) 3.1% 0.00875% 1757 1.4 41 12261 215711 189187 3-2 7: 119 91 92 135 117 115 104 0.745 13.76 -162.5 72 97 74 97 134 16.4 15.680 0.503 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1016 Limonene 14.4233 1041.4 8.0 scans 92% TIC 0.16% 0.563% 1785 1.1 348 233735 13890212 12294443 2-7 0.989 13.89 66.1 87 97 98 99 136 68.6 3.886 0.531 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5815 1045.7 10.1 scans 67% 79 m/z 0.61% 0.111% 1812 1.8 146 63476 2759410 2566824 2-3 19: 79 108 107 77 91 78 80 50 90 89 65 63 62 76 109 52 74 105 106 0.926 14.11 66.7 88 99 91 99 108 66.7 20.976 0.473 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9168 1054.7 9.4 scans 88% 91 m/z 0.13% 0.263% 1869 1.4 217 287155 6504974 5864028 2-5 19: 91 92 120 65 63 39 51 62 50 89 90 74 66 64 93 38 61 41 52 0.984 14.44 69.9 88 100 98 100 120 70.5 10.588 0.475 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.4322 1068.7 8.5 scans 51% 70 m/z (82) 4.4% 0.0279% 1956 1.4 73 8738 689920 616478 1-3 19: 70 55 83 41 57 69 39 97 42 67 108 58 93 98 84 56 51 91 68 0.918 18.83 16.0 75 78 77 82 122 2.6 0.000 -3.398 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5933 1073.1 11.7 scans 89% 105 m/z 0.073% 0.738% 1983 1.5 343 527703 0.927% 18200395 17061635 22850582 2-0 20: 105 77 123 51 46 106 50 78 74 124 76 75 79 52 38 39 109 64 37 66 0.991 15.17 75.7 86 100 99 99 123 123.0 12.857 0.423 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN 98-86-2 ? Acetophenone 15.6689 1075.1 >11 scans 71% 105 m/z 0.17% 0.243% 1996 1.8 218 222929 0.678% 6007103 5611047 16712723 0-2 19: 105 77 51 43 63 78 107 52 50 65 62 37 39 74 49 73 42 125 97 0.991 15.29 -170.6 79 98 97 99 120 65.1 8.955 0.376 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8159 1079.1 8.8 scans 65% 95 m/z 0.23% 0.228% 2021 1.6 211 165187 5624766 5138665 1-6 16: 95 81 124 79 43 109 53 39 65 119 82 96 120 67 63 125 0.862 15.43 77.4 78 93 85 97 124 64.9 9.415 0.383 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.5556 1099.1 8.0 scans 18% 132 m/z (148) 9.7% 0.00433% 2146 1.3 32 4012 106828 106828 0-0 8: 132 117 115 131 91 116 89 65 0.630 16.25 -175.5 66 97 71 94 132 17.7 31.044 0.302 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1012 ?? Nicotine 16.5780 1099.8 7.9 scans 3.3% 148 m/z 16% 0.000419% 2150 0.8 14 2337 10334 10334 0-0 8: 148 133 43 105 42 103 91 118 0.137 25.78 -55.5 66 100 100 100 162 0.0 0.000 -9.200 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1002 Undecane 16.9115 1113.7 8.5 scans 68% 57 m/z (268) 1.0% 0.0678% 2206 1.2 118 37208 1671487 1532007 2-1 16: 57 43 71 85 41 56 70 55 84 42 207 39 112 156 54 58 0.951 16.59 13.7 95 98 97 98 156 15.5 1.725 0.325 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0780 1120.7 8.4 scans 87% 57 m/z 0.16% 0.679% 2235 1.1 378 229226 16741221 14882048 4-5 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 96 67 39 42 71 54 45 0.972 16.82 98.3 79 98 97 98 124 25.0 0.438 0.263 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0780 1120.7 8.4 scans 89% 57 m/z (267) 0.16% 0.740% 2235 1.1 382 230595 18248668 16222088 4-5 20: 57 41 56 55 43 98 44 70 82 69 68 95 81 96 67 39 42 71 54 45 0.984 16.82 -170.7 78 99 97 99 124 24.8 0.422 0.263 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2646 1128.6 >10 scans 86% TIC 0.36% 0.166% 2266 1.1 205 107798 0.426% 4100717 3897311 10500915 1-0 0.970 16.97 103.9 78 97 96 100 128 49.0 5.695 0.297 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.3395 1131.8 9.6 scans 81% 91 m/z 0.13% 0.315% 2279 1.7 235 286300 7773505 7078385 6-3 19: 91 92 122 65 51 93 63 77 78 89 123 103 104 50 62 66 64 52 61 0.971 17.05 105.8 80 100 99 100 122 80.0 11.593 0.288 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2787 1171.5 8.3 scans 72% 73 m/z 0.46% 0.115% 2438 1.4 154 84582 2846741 2593417 2-5 20: 73 267 355 356 357 269 268 74 193 191 155 170 249 323 207 179 339 162 251 75 0.909 18.13 -160.2 79 99 86 98 355 64.7 17.564 0.148 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN M4942-N1002 ? Pyranone 18.3673 1175.2 10.0 scans 47% 144 m/z 1.1% 0.0527% 2452 1.5 98 33984 1301319 1219895 1-4 8: 144 43 101 44 72 115 156 145 0.749 20.04 -215.3 71 93 71 92 144 48.0 23.900 -1.675 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1018 Contamination 12.25min 18.4086 1177.0 8.7 scans 7.1% 281 m/z (56) 7.5% 0.00337% 2461 1.1 27 5159 0.00395% 83093 83093 97368 0-0 6: 281 282 193 207 249 283 0.660 12.25 23.9 85 92 60 91 281 20.1 57.328 6.158 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9216 1198.6 8.3 scans 56% 98 m/z 2.2% 0.0420% 2547 1.1 103 17334 1035920 930884 2-1 19: 98 55 111 69 82 43 41 84 67 70 39 126 83 100 107 95 71 53 85 0.795 18.71 147.8 77 99 80 98 153 4.6 0.000 0.216 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3059 1214.9 8.8 scans 50% TIC 1.4% 0.0159% 2612 1.3 82 26103 392438 374095 0-1 0.868 19.12 157.8 66 82 87 99 97 12.8 2.430 0.185 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9854 1243.6 9.6 scans 54% 45 m/z (128) 1.3% 0.0531% 2726 1.3 97 29266 1310053 1172992 1-4 13: 45 75 87 56 89 101 60 59 100 132 73 46 61 0.956 19.81 176.1 73 96 89 98 144 0.0 0.000 0.171 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1024 Hexadecane 20.4801 1262.5 12.3 scans 39% 85 m/z (107) 4.5% 0.0225% 2811 0.6 57 8537 555811 501818 4-2 11: 85 56 98 84 113 83 123 112 99 97 127 0.680 33.32 -4.5 81 91 65 92 226 0.0 0.000 -12.839 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4801 1262.5 12.3 scans 43% 85 m/z (55) 3.4% 0.0253% 2811 0.6 61 11234 625207 564472 4-2 11: 85 56 98 84 113 83 123 112 99 97 127 0.877 20.32 4.8 83 91 83 88 170 3.1 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1034 ? Decanal 20.6649 1268.0 8.1 scans 84% 57 m/z 0.27% 0.527% 2842 0.9 340 143224 13010787 11558831 4-2 20: 57 41 55 43 82 70 71 68 56 44 83 67 81 112 69 96 42 84 39 54 0.984 20.57 -139.0 79 99 99 99 138 18.5 0.296 0.096 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0775 1280.4 11.2 scans 62% 94 m/z (137) 0.46% 0.107% 2912 1.6 128 83433 2660181 2462546 3-1 6: 94 138 66 139 88 37 0.956 20.98 195.4 76 97 95 99 152 3.9 0.000 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.1058 1281.3 >9 scans 16% 139 m/z 3.6% 0.0207% 2916 999.0 81 10612 0.0366% 510326 475856 902191 0-2 8: 139 50 62 76 45 125 74 87 0.175 32.87 21.0 65 68 22 68 206 0.0 0.000 -11.767 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1324 1282.1 8.7 scans 78% 137 m/z (94) 0.47% 0.276% 2921 1.0 232 81420 6827913 6132723 2-10 15: 137 152 109 123 81 67 91 79 41 93 55 119 53 110 124 0.978 21.00 196.8 63 86 80 85 155 0.0 0.000 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 22.8615 1334.0 14.3 scans 58% 73 m/z 0.84% 0.122% 3214 0.3 142 46362 3019996 2872540 1-1 16: 73 60 57 115 129 55 41 43 98 42 61 101 87 56 45 74 0.880 22.70 -141.3 72 94 85 94 158 10.1 0.000 0.165 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1016 ? Nicotine 22.8621 1334.0 17.2 scans 28% TIC 1.4% 0.0594% 3214 0.2 99 27799 1464258 1415490 0-1 0.429 25.35 184.8 71 97 43 93 162 0.0 0.000 -2.492 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9831 1337.6 9.6 scans 57% 69 m/z (57) 0.34% 0.213% 3235 1.4 195 113656 5273511 5019358 2-2 12: 69 109 43 110 86 128 67 95 87 59 341 108 0.803 22.91 224.0 69 95 84 94 127 24.3 1.548 0.070 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8987 1365.2 8.9 scans 45% 57 m/z (110) 1.1% 0.0703% 3390 1.1 110 35303 1733108 1582747 2-2 10: 57 71 85 69 112 70 84 56 184 141 0.772 23.86 1.2 85 94 81 93 184 12.9 0.000 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1002 Contamination 24.17min 24.1319 1373.0 7.3 scans 61% 73 m/z 0.16% 0.264% 3429 1.1 257 230320 6516081 6294187 1-6 20: 73 341 429 147 342 325 343 430 431 74 207 326 327 344 75 251 191 148 311 59 0.910 24.17 -150.8 80 99 89 99 429 72.6 7.958 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.5970 1388.6 7.6 scans 77% TIC 0.45% 0.128% 3508 1.2 188 85426 3175940 3003643 1-3 0.927 24.54 251.3 77 100 95 98 169 20.5 0.000 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9377 1399.9 >7 scans 52% 155 m/z 1.6% 0.0288% 3565 999.0 91 23030 0.0583% 710484 640750 1437097 0-2 4: 155 71 128 114 0.880 20.36 -0.3 61 61 73 74 170 3.8 0.176 4.580 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2317 1409.8 7.9 scans 42% 43 m/z 0.40% 0.0567% 3616 0.9 114 97137 1398863 1237381 4-6 13: 43 103 145 116 115 73 104 146 86 61 74 155 212 0.903 25.24 -150.1 78 100 94 100 145 41.2 12.966 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.4743 1417.9 12.5 scans 72% TIC 0.14% 0.402% 3657 2.1 242 261672 9928495 9350550 2-2 0.873 25.89 260.9 75 95 85 95 162 62.7 6.722 -0.418 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.1166 1439.3 7.8 scans 33% 73 m/z (281) 2.4% 0.0248% 3766 1.7 71 15784 613030 539093 1-4 16: 73 267 355 356 269 251 268 357 75 282 191 249 74 162 193 133 0.693 18.09 397.7 69 94 77 95 355 27.4 14.885 8.025 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1101 1472.5 6.4 scans 40% 221 m/z 1.7% 0.0233% 3934 0.9 83 22767 576476 557416 1-1 19: 221 73 147 281 222 267 223 355 148 283 269 443 444 207 282 356 251 189 149 0.798 27.12 297.6 74 96 75 94 355 15.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1957 1475.4 8.2 scans 74% 57 m/z (163) 0.54% 0.131% 3948 1.1 167 71465 0.203% 3243848 2953681 5003957 2-0 20: 57 71 43 85 41 55 56 198 98 99 42 84 69 112 141 86 168 111 83 70 0.975 27.21 -0.4 95 98 97 97 198 18.5 1.226 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6762 1531.0 8.3 scans 72% 43 m/z (166) 0.17% 0.403% 4199 1.0 282 226581 9955014 8706804 4-2 20: 43 69 41 151 136 107 125 67 93 109 53 83 81 39 121 68 108 79 161 77 0.952 28.67 333.6 77 99 97 99 194 18.1 0.411 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1060 1547.1 7.4 scans 73% 71 m/z (197) 0.15% 0.515% 4272 1.1 351 252939 0.759% 12704003 12176535 18709376 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 69 183 42 67 140 39 0.942 29.10 343.2 68 93 92 93 227 6.0 0.029 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1060 1547.1 7.4 scans 75% 71 m/z (204) 0.15% 0.531% 4272 1.1 357 253494 0.782% 13095574 12551848 19276327 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 69 183 42 67 140 39 0.898 29.09 343.4 71 96 84 95 220 39.9 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1034 Contamination 29.52min 29.5234 1562.8 7.4 scans 62% 73 m/z 0.15% 0.362% 4343 1.0 302 253118 8929622 8361850 2-2 20: 73 281 147 327 282 341 415 283 221 503 148 328 74 399 416 329 504 207 342 325 0.944 29.52 352.7 80 99 93 99 503 42.4 1.966 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5234 1562.8 7.4 scans 65% 73 m/z (55) 0.15% 0.391% 4343 1.0 308 251650 9656158 9042192 2-2 20: 73 281 147 327 282 341 415 283 221 503 148 328 74 399 416 329 504 207 342 325 0.953 29.61 -150.3 78 99 96 99 503 42.4 1.895 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7731 1572.2 7.9 scans 69% 123 m/z 0.049% 0.515% 4385 0.9 351 791379 12715770 12048031 1-2 18: 123 135 124 95 107 91 79 109 77 39 93 81 67 53 125 105 193 165 0.931 29.77 358.2 78 98 90 98 193 29.5 0.707 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1757 1587.3 8.1 scans 70% 57 m/z (184) 0.33% 0.256% 4453 1.3 235 115213 0.397% 6333248 5942767 9786064 1-0 20: 57 85 71 43 41 99 55 84 113 56 127 70 69 98 155 183 141 83 42 86 0.965 30.38 -7.6 80 83 94 85 212 3.3 0.000 -0.201 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4992 1600.0 7.9 scans 77% 191 m/z 0.043% 0.623% 4508 1.1 392 905219 15366832 14602338 2-2 19: 191 206 192 57 163 74 91 115 107 207 88 73 77 128 133 105 117 121 193 0.966 30.50 375.2 80 99 95 99 206 106.2 7.339 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8298 1613.9 8.5 scans 34% 124 m/z (71) 1.2% 0.0516% 4564 1.0 104 31038 1273079 1173084 2-8 5: 124 137 180 138 54 0.956 30.81 384.5 73 95 83 97 180 27.5 7.007 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8793 1616.0 9.6 scans 54% 162 m/z (106) 0.51% 0.142% 4573 1.1 160 75221 3512964 3267919 2-2 18: 162 147 161 91 163 51 148 119 133 103 115 145 118 78 63 79 89 165 0.946 30.88 0.0 85 88 79 89 204 12.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1044 ?? UNK 31.21min 31.2123 1630.0 10.7 scans 28% TIC 0.30% 0.366% 4629 0.8 260 129033 9043725 8299595 2-1 0.336 31.20 394.6 62 86 31 83 180 94.2 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2164 1630.2 9.6 scans 68% 111 m/z 0.083% 0.847% 4630 0.6 404 466322 20890931 18890670 3-2 20: 111 109 137 67 180 110 124 152 95 79 81 39 77 112 91 53 69 93 165 138 0.861 31.18 395.2 75 96 81 97 180 94.1 5.439 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5258 1643.2 9.6 scans 78% TIC 0.18% 0.333% 4682 0.9 270 216092 8209979 7852024 1-1 0.914 31.52 0.5 99 100 93 99 166 54.7 4.096 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7967 1654.6 9.4 scans 8.5% 193 m/z (57) 3.4% 0.00820% 4728 0.8 39 11426 202137 182960 1-1 4: 193 194 175 208 0.565 31.80 0.1 64 77 27 75 208 10.5 7.376 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9177 1659.6 7.8 scans 46% 71 m/z 0.89% 0.0684% 4748 0.8 130 43629 1688316 1462876 4-1 18: 71 57 85 43 55 99 69 155 41 70 84 127 56 111 112 141 126 72 0.720 31.92 -0.1 74 81 55 78 219 2.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0571 1665.5 6.9 scans 18% 73 m/z 1.6% 0.0268% 4772 0.9 84 23129 661444 617408 1-9 14: 73 147 221 222 295 207 223 355 110 151 148 184 267 281 0.393 32.08 -0.9 89 96 81 94 355 13.8 2.684 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2359 1673.0 8.6 scans 72% 57 m/z (204) 0.41% 0.237% 4802 1.7 200 93736 5843195 5554827 1-1 20: 57 71 43 85 41 99 55 183 56 70 113 69 58 42 111 83 210 127 211 97 0.938 32.24 -0.1 89 94 92 96 226 9.2 0.214 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4414 1681.7 13.3 scans 54% 57 m/z (107) 1.0% 0.144% 4837 0.7 139 37614 3567740 3209346 2-1 20: 57 197 56 113 196 41 99 55 70 183 93 168 111 153 42 182 58 127 141 91 0.890 32.44 -0.0 71 83 79 84 226 2.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6716 1691.3 8.8 scans 67% 205 m/z (164) 2.1% 0.137% 4876 1.2 166 17841 3399261 3174387 1-5 19: 205 91 119 105 93 149 159 107 162 79 147 77 131 135 187 106 202 120 145 0.932 32.67 -0.2 92 96 90 97 220 10.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8635 1699.4 7.8 scans 23% 70 m/z (149) 1.9% 0.0392% 4908 1.8 85 20211 967112 790001 11-1 2: 70 216 0.769 32.87 -0.1 69 80 76 78 186 0.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 8.0 scans 55% 71 m/z (177) 0.25% 0.115% 4920 0.8 153 151040 2844307 2473247 3-8 12: 71 43 159 243 111 155 72 173 143 89 73 244 0.955 32.93 0.0 94 96 90 99 243 24.0 2.457 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0860 1708.7 7.7 scans 24% 97 m/z 3.2% 0.0157% 4946 1.1 77 11825 389414 367647 1-2 19: 97 83 57 69 70 55 111 41 56 84 71 196 147 98 128 82 148 140 129 0.563 33.09 0.0 89 95 60 90 224 2.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3086 1718.1 7.2 scans 75% 57 m/z (183) 0.35% 0.182% 4984 0.9 212 109529 4489023 4109039 5-1 20: 57 71 43 85 41 55 56 99 70 226 113 69 42 98 84 127 83 112 126 72 0.980 33.37 -2.7 95 98 98 98 226 23.0 1.181 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1026 ? p-Octylacetophenone 33.8339 1727.4 8.1 scans 22% 217 m/z (131) 1.0% 0.0284% 5072 1.1 78 35436 701016 642950 3-1 14: 217 232 218 175 233 116 143 128 176 189 173 219 87 142 0.859 33.83 452.7 70 93 71 95 232 32.8 17.828 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.8 scans 56% TIC 1.0% 0.0469% 5083 0.9 132 38919 0.0846% 1156130 1074137 2085393 0-1 0.857 33.90 -0.1 92 97 88 95 197 25.1 3.630 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2720 1733.7 6.4 scans 12% 57 m/z (93) 4.3% 0.00856% 5147 1.1 49 9022 211237 211237 0-0 15: 57 120 71 43 211 210 41 85 79 98 182 56 138 220 113 0.755 34.27 0.1 74 85 69 83 211 10.9 5.016 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3635 1735.0 8.9 scans 96% 73 m/z 0.012% 7.05% 5163 0.6 1216 3035775 173993519 165792606 2-2 20: 73 147 356 281 401 402 327 415 267 282 358 133 341 131 59 45 205 117 251 329 0.996 34.39 452.0 81 100 99 100 415 136.6 1.262 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7673 1740.7 11.5 scans 79% 91 m/z 0.050% 1.31% 5231 0.4 464 773585 32368609 29720516 3-3 20: 91 155 199 90 65 184 89 92 44 120 63 137 77 106 39 64 156 134 200 51 0.971 34.79 451.7 80 99 96 99 199 130.4 7.910 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9024 1742.7 8.0 scans 34% 68 m/z (141) 2.1% 0.0575% 5253 1.4 110 18502 1419249 1280424 2-2 2: 68 224 0.873 34.90 -0.0 88 91 88 98 224 12.9 1.378 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3458 1749.0 8.7 scans 71% 57 m/z (211) 0.50% 0.296% 5329 0.7 234 76589 7301814 6383075 3-1 20: 57 43 55 69 41 56 95 81 70 126 111 82 83 96 67 97 98 137 196 42 0.976 35.35 451.6 73 93 96 99 196 19.7 0.708 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9290 1757.4 9.7 scans 37% 91 m/z (85) 1.1% 0.131% 5428 1.6 148 34198 3235385 2917440 1-2 16: 91 97 148 111 65 220 117 105 93 218 96 67 82 92 187 107 0.789 35.94 451.0 65 93 66 91 238 5.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1061 1759.9 8.9 scans 66% 71 m/z 0.18% 0.382% 5458 1.3 301 210607 9427852 8631617 2-2 20: 71 85 57 43 99 113 69 127 55 41 155 70 84 83 141 56 111 169 112 72 0.865 29.94 543.5 72 93 87 97 254 0.0 0.000 6.165 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1976 1775.5 7.9 scans 58% 209 m/z 0.20% 0.230% 5643 1.0 234 191979 5683752 5503739 1-2 20: 209 224 181 165 210 167 105 178 166 179 194 103 225 77 91 152 115 119 193 182 0.927 37.20 449.2 79 99 91 99 224 74.9 10.277 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0536 1787.8 9.2 scans 56% TIC 0.71% 0.0825% 5788 1.0 150 54289 2034293 1894819 1-1 0.849 38.06 448.1 74 98 85 95 225 26.7 3.156 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5590 1795.0 9.4 scans 95% 73 m/z 0.011% 7.61% 5873 0.8 1233 3297579 187772221 177220637 2-3 20: 73 147 221 281 430 341 207 431 222 74 148 267 223 283 327 149 459 402 208 133 0.996 38.59 446.9 80 99 99 100 429 340.3 7.634 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8222 1798.7 10.6 scans 54% TIC 0.64% 0.0804% 5918 1.0 143 60343 1982088 1820869 1-1 0.812 38.91 -1.3 87 90 74 86 254 14.2 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4386 1865.5 7.9 scans 35% 74 m/z 1.5% 0.0379% 6023 1.1 95 24568 935393 885414 3-2 13: 74 87 228 102 60 143 75 211 101 129 73 225 61 0.678 39.45 504.0 73 97 72 94 256 13.2 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.7951 1909.7 9.3 scans 95% 68 m/z 0.029% 6.28% 6083 0.5 1140 1324389 154975874 146592270 2-1 20: 68 95 82 123 69 57 81 55 43 83 67 41 97 71 96 109 124 111 79 56 0.998 39.94 540.6 80 99 100 99 278 60.3 0.280 -0.141 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8890 1921.4 7.7 scans 65% TIC 0.54% 0.143% 6099 1.1 208 71867 3542469 3315204 0-3 0.901 39.88 553.1 77 98 91 96 250 21.3 1.049 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3046 1972.9 7.8 scans 53% 149 m/z 0.17% 0.113% 6169 1.2 164 224514 2799437 2562293 2-3 13: 149 150 104 223 76 167 205 121 93 132 50 122 224 0.885 40.31 598.0 78 98 85 98 223 35.8 4.740 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6074 2010.4 >8 scans 24% TIC 4.0% 0.00389% 6220 0.0 62 9581 0.00728% 95880 95880 179452 0-0 0.848 40.63 630.3 74 97 87 96 369 9.9 2.580 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1254 Phytol 40.8477 2040.2 8.0 scans 14% 57 m/z 4.2% 0.0122% 6261 1.5 62 9146 301340 278267 1-1 20: 57 95 82 81 71 43 68 123 69 67 96 111 83 41 55 79 124 80 97 113 0.263 40.87 -2.5 84 94 32 88 278 11.1 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9905 2057.9 8.7 scans 23% 138 m/z 2.2% 0.0251% 6285 1.1 79 17144 620225 569290 1-1 13: 138 120 109 69 121 124 139 65 262 193 93 263 149 0.641 41.00 672.1 71 99 70 97 262 10.7 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.0950 2070.9 9.7 scans 64% TIC 0.90% 0.205% 6303 0.9 211 43137 5057520 4561897 2-2 0.889 41.13 683.1 78 98 86 97 262 40.0 3.598 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2367 2088.5 8.3 scans 28% 79 m/z 2.0% 0.0379% 6327 1.1 102 18751 934887 877673 1-2 13: 79 67 93 83 80 95 108 91 77 121 94 65 81 0.510 41.26 -2.5 86 91 63 87 264 8.2 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4834 2119.0 10.2 scans 92% TIC 0.082% 2.46% 6369 0.4 683 471239 60880487 58065339 3-1 0.985 41.49 -77.6 86 100 98 100 276 43.6 0.408 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8217 2138.0 9.4 scans 33% 57 m/z 2.0% 0.0221% 6427 1.1 91 19278 545384 512187 0-1 20: 57 71 85 43 41 99 56 253 113 197 122 137 155 111 127 112 123 107 126 95 0.696 41.48 19.0 67 75 72 72 268 0.0 0.000 0.339 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9982 2147.9 7.9 scans 86% 74 m/z 0.049% 1.25% 6456 0.8 544 791007 30969558 28683758 3-3 20: 74 87 43 55 75 41 227 270 57 69 83 129 59 97 185 101 88 171 199 84 0.943 42.01 745.9 80 100 96 99 272 15.3 0.079 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1635 2157.2 8.6 scans 39% 137 m/z (57) 5.0% 0.0405% 6484 1.0 92 7713 1000576 907928 1-1 16: 137 257 81 93 79 95 94 91 96 120 123 67 173 105 187 77 0.861 42.05 6.6 77 81 69 82 272 7.6 0.000 0.119 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3158 2165.8 8.8 scans 88% TIC 0.076% 0.881% 6510 1.2 431 507111 21735530 19398177 3-3 0.972 42.37 756.8 77 94 97 100 503 57.3 1.765 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3536 2167.9 9.1 scans 9.4% 161 m/z (73) 5.3% 0.0379% 6516 1.0 83 7217 935550 856028 2-2 10: 161 229 77 105 107 121 119 162 92 272 0.717 42.40 -2.5 83 94 69 89 272 7.1 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3093 2221.5 14.0 scans 22% 263 m/z (84) 3.7% 0.0218% 6678 1.1 52 10470 539764 466012 1-2 18: 263 185 83 161 57 147 128 124 143 217 110 111 278 153 117 154 77 160 0.616 43.31 0.1 74 82 33 80 278 13.5 6.676 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5101 2232.8 8.1 scans 32% 70 m/z (175) 5.9% 0.0219% 6712 1.5 67 6578 540525 491532 1-3 16: 70 93 257 148 53 96 121 123 81 95 107 117 137 83 135 109 0.765 43.55 -2.4 81 89 61 87 272 7.2 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8465 2251.7 8.2 scans 54% 57 m/z (220) 2.0% 0.0492% 6769 1.2 102 18984 1213857 1117202 1-4 20: 57 71 85 43 127 126 267 69 55 41 99 113 84 141 70 282 97 42 268 239 0.898 43.94 -5.0 62 67 83 82 282 4.8 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1240 ? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0284 2262.0 8.2 scans 10% 191 m/z (97) 17% 0.00380% 6800 0.8 29 2237 93873 91514 0-1 4: 191 107 109 155 0.627 44.05 -1.5 77 89 55 86 272 5.4 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1238 ? Trachylobane 44.1352 2268.2 8.2 scans 20% 77 m/z (126) 13% 0.0108% 6818 0.7 48 2858 268224 236815 1-1 18: 77 81 272 216 137 93 117 107 91 257 133 109 131 121 103 161 136 122 0.617 44.15 -1.1 77 90 56 85 272 5.8 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN N419_R~1-N1158 ? Manool oxide 44.2533 2275.0 8.6 scans 35% 125 m/z (221) 7.5% 0.0205% 6838 1.4 65 5168 505514 468794 2-1 20: 125 275 110 258 81 95 121 123 163 193 135 177 77 119 276 68 161 159 143 189 0.695 43.83 837.4 70 96 68 94 275 17.9 7.588 0.426 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2934 2277.3 7.5 scans 11% 221 m/z (257) 9.4% 0.00557% 6844 1.1 34 4132 137294 110003 2-3 6: 221 73 147 295 222 369 0.672 44.32 830.0 66 96 66 93 369 6.5 3.745 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1234 Thunbergol 45.1565 2326.9 8.8 scans 87% 137 m/z 0.44% 0.551% 6991 1.0 341 87661 13599197 12113070 3-6 20: 137 81 95 93 69 71 107 55 109 123 79 257 121 41 43 67 91 80 136 105 0.964 44.90 14.7 85 85 87 85 272 23.5 0.474 0.255 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5290 2348.4 13.1 scans 7.9% 125 m/z (83) 29% 0.00301% 7054 1.2 22 1322 0.00666% 74348 74348 164169 0-0 7: 125 121 96 107 133 93 68 0.246 45.56 -2.0 62 81 16 73 290 0.0 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7876 2363.2 9.0 scans 48% TIC 1.2% 0.0436% 7098 1.5 97 32119 1074781 914924 4-3 0.780 45.78 0.6 92 93 73 92 503 8.1 0.697 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0933 2380.8 7.8 scans 78% 79 m/z (98) 0.63% 0.202% 7150 1.3 210 61308 4986201 4508009 2-5 20: 79 67 95 93 80 108 81 55 94 107 91 41 77 121 135 78 87 59 109 122 0.953 46.13 -2.4 94 98 96 99 292 14.9 0.508 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4198 2399.6 8.5 scans 59% 177 m/z (98) 2.2% 0.0505% 7205 0.9 101 17502 1245297 1139358 2-3 15: 177 137 95 290 121 107 178 91 195 93 133 125 135 136 53 0.867 46.49 -4.4 93 97 85 96 290 13.0 1.645 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.6093 2410.5 8.3 scans 42% 57 m/z (110) 5.0% 0.0179% 7237 1.4 61 7685 442838 405627 1-1 19: 57 69 126 111 127 112 113 55 141 125 155 83 70 56 58 163 41 98 154 0.845 46.28 18.8 67 77 76 74 296 0.0 0.000 0.327 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2581 2447.9 9.1 scans 32% 134 m/z (178) 7.6% 0.0136% 7347 0.8 49 5064 336129 275482 2-11 12: 134 119 81 191 84 137 192 135 93 122 53 108 0.684 47.36 -5.6 83 91 65 88 272 4.4 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N476_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9234 2543.7 7.9 scans 50% 73 m/z 3.3% 0.0126% 7629 1.4 54 11653 312133 284964 5-3 18: 73 429 281 430 148 283 295 222 223 207 282 341 431 149 205 357 131 208 0.688 48.95 993.3 75 98 65 95 429 15.4 8.241 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1132 771.3 5.9 scans 74% 77 m/z 0.076% 0.0735% 38 4.3 273 749250 0.0758% 7834904 7537754 8073988 1-3 14: 77 45 78 79 76 62 59 63 75 47 92 46 64 65 0.995 4.37 17.3 100 99 99 99 77 234.0 73.432 -0.258 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1014 ? Contamination 6.52min 7.1747 851.0 >5 scans 9.6% 207 m/z 3.3% 0.00137% 557 5.2 44 16951 146542 138996 0-1 5: 207 191 209 177 133 0.657 6.53 -125.8 72 96 79 95 207 35.2 64.184 0.647 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6298 862.9 9.8 scans 46% 83 m/z (74) 5.1% 0.00930% 634 2.2 81 11148 0.0127% 990776 942053 1352766 4-0 5: 83 97 70 81 80 0.804 7.71 7.6 87 94 74 92 98 22.6 7.707 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKSTART-N1002 ? Contamination 12.22min 12.2804 984.0 >18 scans 11% 115 m/z (43) 4.3% 0.00473% 1422 999.0 60 13187 0.0230% 503823 503823 2449891 0-0 8: 115 284 282 250 88 179 98 192 0.755 12.22 37.7 79 86 49 93 281 31.0 26.556 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9145 1000.5 8.1 scans 30% 56 m/z (109) 4.4% 0.0104% 1529 1.7 94 12866 1116240 1040731 1-2 12: 56 84 57 41 55 44 121 100 68 67 82 85 0.858 12.96 -174.3 69 97 89 96 110 9.0 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2279 1009.0 10.7 scans 63% 81 m/z 0.90% 0.0137% 1582 1.3 106 63446 1463172 1298066 2-1 19: 81 110 53 79 67 39 77 68 82 51 54 80 50 150 55 40 95 93 38 0.891 13.22 45.4 87 94 88 98 110 27.3 6.562 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1016 ? Limonene 13.8920 1027.0 8.8 scans 26% 68 m/z 4.9% 0.00470% 1695 1.0 70 11687 501163 475597 1-0 17: 68 82 57 93 67 124 79 53 136 41 94 92 121 107 95 91 81 0.454 13.89 51.7 74 87 51 92 136 12.8 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0922 1032.4 10.4 scans 90% 79 m/z 0.072% 0.425% 1729 1.3 520 789413 45327261 41364026 2-4 20: 79 108 107 77 51 91 78 50 80 89 90 39 65 109 63 53 52 74 105 62 0.967 14.11 53.4 92 100 99 100 108 228.8 19.365 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4393 1041.8 10.8 scans 61% 91 m/z 0.45% 0.0277% 1787 1.8 133 124952 2960615 2650177 2-2 18: 91 92 120 65 63 121 39 51 74 93 50 90 62 64 73 66 52 104 0.898 14.44 57.0 89 99 93 99 120 43.7 10.834 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1707 1061.6 >11 scans 82% TIC 0.15% 0.100% 1911 1.0 274 371244 0.233% 10756951 10165260 24818460 6-0 0.992 15.17 64.2 88 99 96 99 123 94.8 11.996 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2315 1063.3 10.7 scans 50% 94 m/z (105) 0.21% 0.0939% 1922 0.8 243 265110 10012032 8925142 4-5 12: 94 109 66 39 95 67 53 65 40 80 110 38 0.969 16.11 -206.9 78 99 97 100 109 127.4 27.489 -0.878 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN 98-86-2 ? Acetophenone 15.2575 1064.0 11.2 scans 54% 105 m/z (94) 0.20% 0.0900% 1926 1.2 240 275932 0.155% 9592022 9031727 16510134 0-2 20: 105 77 120 51 78 50 121 74 106 91 76 89 62 75 107 49 90 73 104 61 0.984 15.29 -181.7 77 98 95 99 120 81.5 11.483 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4316 1068.7 9.2 scans 34% 95 m/z 1.1% 0.0113% 1955 1.3 102 50561 1206725 1111386 1-1 11: 95 81 124 43 109 53 96 82 123 66 125 0.793 15.43 67.0 80 94 72 93 124 34.3 11.321 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1002 ?? Undecane 16.5963 1100.4 9.0 scans 56% 71 m/z (267) 2.8% 0.0155% 2153 1.0 110 20421 1655910 1522542 2-1 14: 71 57 43 41 93 69 70 39 121 54 80 53 92 98 0.926 16.59 0.4 67 66 75 81 156 6.6 0.356 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7758 1108.0 8.3 scans 66% TIC 0.45% 0.0729% 2183 1.0 270 126855 0.0925% 7774404 7151414 9852822 0-3 0.784 16.82 85.6 75 96 84 95 124 4.9 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0444 1119.3 9.2 scans 83% 91 m/z (85) 0.11% 0.158% 2229 1.6 336 480107 16907712 15154872 2-3 20: 91 92 93 77 122 65 121 78 43 51 39 136 63 89 94 50 103 104 52 123 0.993 17.05 93.3 65 84 83 88 122 81.0 5.808 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0669 1162.5 10.4 scans 57% 355 m/z (71) 0.61% 0.0354% 2402 1.7 157 92839 3775518 3525240 2-2 17: 355 267 356 268 357 251 339 358 269 207 162 154 325 170 252 179 193 0.916 18.13 -169.2 77 99 87 99 355 62.9 16.113 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN M4942-N1002 ? Pyranone 18.1607 1166.5 10.4 scans 80% 144 m/z (85) 0.22% 0.144% 2418 0.7 312 259436 15401829 13847628 2-7 15: 144 43 101 44 72 45 55 115 42 145 102 58 53 67 116 0.990 20.04 -224.0 78 99 98 99 144 133.6 18.318 -1.881 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1018 ? Pyranone 18.1607 1166.5 10.7 scans 77% TIC 0.20% 0.125% 2418 0.5 306 285964 0.133% 13415137 11707738 14166760 0-8 0.902 18.22 123.0 79 99 87 98 144 137.5 20.224 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1266 ? Octanoic acid 18.4630 1179.3 9.8 scans 42% 101 m/z (99) 4.9% 0.00861% 2469 0.8 81 11476 917686 896382 1-0 14: 101 97 88 69 73 87 115 41 86 55 74 56 83 110 0.915 22.03 -129.8 72 97 94 96 175 0.0 0.000 -3.571 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.1171 1206.9 14.4 scans 30% 105 m/z 1.5% 0.00593% 2580 3.1 90 36191 0.0132% 632549 565229 1406024 0-4 9: 105 77 122 123 114 82 74 76 106 0.748 20.03 136.2 60 80 66 92 122 47.3 27.625 -0.912 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7534 1233.8 12.1 scans 73% 119 m/z (57) 0.29% 0.0673% 2688 1.3 201 194768 7178671 6646514 3-3 12: 119 91 134 65 63 135 92 51 90 120 38 118 0.981 13.76 34.3 76 81 73 83 134 67.7 11.380 5.996 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8095 1236.1 9.2 scans 64% 57 m/z 0.31% 0.0636% 2697 1.4 228 184418 6777454 6181058 9-4 19: 57 45 75 41 87 56 89 101 59 72 100 85 73 60 71 58 44 55 61 0.945 19.81 168.6 77 98 95 98 144 5.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3095 1257.3 8.5 scans 46% 57 m/z (107) 1.8% 0.0128% 2782 1.0 100 31492 1363629 1215004 2-3 13: 57 43 71 85 70 56 170 98 42 113 112 99 84 0.876 20.32 -0.4 92 97 92 97 170 12.4 1.533 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1034 ? Decanal 20.5226 1263.8 8.5 scans 75% 57 m/z 0.79% 0.0600% 2818 0.9 226 71765 6394225 5682306 4-2 20: 57 41 55 43 70 71 56 68 44 81 83 69 112 67 82 96 84 42 39 45 0.941 20.57 -143.2 78 99 97 98 138 11.5 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 20.7694 1271.2 8.9 scans 22% 57 m/z (45) 5.8% 0.00311% 2860 0.7 51 9731 331746 309691 1-2 9: 57 71 98 56 118 113 70 117 112 0.639 33.32 4.2 62 74 75 75 226 0.0 0.000 -12.550 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9424 1276.4 11.6 scans 40% 94 m/z (91) 0.75% 0.0192% 2889 1.6 111 75464 2045458 1980883 1-0 8: 94 138 66 88 45 139 150 99 0.896 20.98 191.4 75 99 92 98 152 3.8 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1042 ?? Phytol 21.2665 1286.1 >10 scans 13% 70 m/z (121) 7.9% 0.00553% 2944 999.0 63 7171 0.0137% 589111 530256 1459283 0-2 8: 70 283 127 85 97 72 98 96 0.765 35.35 -11.3 62 71 67 74 196 0.0 0.000 -14.081 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0055 1308.3 8.4 scans 13% 175 m/z (138) 2.9% 0.00353% 3069 1.0 55 19726 376055 352726 1-2 2: 175 176 0.609 22.01 207.9 66 94 63 97 190 15.3 7.652 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 22.9991 1338.1 >8 scans 85% TIC 0.32% 0.0796% 3238 0.5 284 176493 0.197% 8482789 7577324 20983848 0-12 0.987 22.70 -137.2 76 94 94 99 158 16.6 0.341 0.303 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8344 1363.2 8.3 scans 37% 57 m/z (139) 2.7% 0.00875% 3379 1.0 82 20737 932264 810077 2-3 8: 57 71 85 56 70 58 99 184 0.737 23.86 -0.8 83 91 87 90 184 9.6 1.359 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0882 1371.6 7.2 scans 67% 73 m/z 0.26% 0.0572% 3422 1.0 245 218627 6103001 5838427 1-6 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 344 432 251 45 75 148 191 0.911 24.17 -152.2 80 99 91 99 429 70.7 8.310 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 24.5422 1386.7 7.0 scans 21% 71 m/z 4.0% 0.00234% 3499 0.9 55 14318 249513 220340 1-2 11: 71 57 85 99 155 84 113 127 56 109 141 0.600 24.54 249.4 67 92 54 87 169 7.8 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6774 1391.2 8.1 scans 77% 43 m/z 0.56% 0.0411% 3522 0.9 200 100905 4386520 4146273 2-7 20: 43 83 55 69 41 82 56 58 142 85 113 71 111 70 39 67 57 127 68 93 0.942 24.70 251.6 69 87 85 98 170 5.9 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.3988 1415.3 8.7 scans 87% 84 m/z 0.059% 0.238% 3644 1.3 447 962565 25384623 23454664 1-5 20: 84 133 162 161 42 119 92 85 118 82 130 65 134 51 78 117 39 63 55 163 0.972 25.89 258.3 75 95 90 95 162 113.1 6.411 -0.493 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0092 1469.1 8.4 scans 87% TIC 0.25% 0.196% 3917 0.9 430 223377 20942521 19915233 2-1 0.959 27.02 295.7 80 99 97 99 208 5.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1095 1472.5 6.6 scans 34% 221 m/z 2.5% 0.00571% 3934 1.0 81 22076 608194 561185 1-3 17: 221 73 147 281 222 355 267 223 443 148 356 74 357 191 268 269 282 0.832 27.12 297.6 75 97 80 95 355 15.8 3.796 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.6 scans 72% 57 m/z (79) 0.64% 0.0323% 3944 1.1 171 88866 0.0404% 3446052 3209199 4303287 2-0 20: 57 71 43 85 41 56 55 70 99 84 42 198 98 69 113 141 112 127 126 39 0.981 27.21 -1.3 95 97 97 98 198 18.6 1.176 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1032 Myosmine 27.9484 1503.6 11.8 scans 93% 118 m/z 0.023% 1.18% 4076 0.8 860 2425657 126129792 116890303 2-4 20: 118 146 145 105 78 51 119 147 104 91 41 117 65 42 63 77 39 64 50 76 0.992 27.93 316.9 81 100 100 100 146 364.4 17.937 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3847 1520.0 8.4 scans 24% 80 m/z (69) 2.0% 0.00565% 4150 1.0 70 28193 602296 570584 2-2 9: 80 171 104 103 53 170 175 172 125 0.804 28.39 326.6 70 97 84 95 171 31.8 20.800 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6603 1530.4 8.0 scans 91% 43 m/z 0.055% 0.364% 4196 0.8 585 1033573 38871396 36345317 2-3 20: 43 69 41 151 107 136 67 125 93 83 109 53 121 39 81 68 55 108 79 91 0.991 28.67 333.0 80 99 99 99 194 35.3 0.363 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9154 1540.0 9.3 scans 37% 161 m/z (57) 7.2% 0.0129% 4240 1.0 99 7896 1378681 1261031 1-2 18: 161 204 119 93 122 133 189 55 107 134 105 69 41 108 120 79 148 81 0.861 45.98 60.3 63 81 73 80 204 17.4 3.116 -17.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0872 1546.4 7.4 scans 62% 71 m/z (123) 0.69% 0.0374% 4269 1.5 186 82632 0.0451% 3984578 3871948 4803917 1-0 19: 71 57 43 85 56 70 41 99 55 141 113 179 112 97 84 183 42 127 72 0.933 29.10 342.5 69 93 93 93 227 2.8 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5293 1563.0 7.9 scans 69% TIC 0.22% 0.0921% 4344 1.1 304 251217 9815576 8991060 6-1 0.824 29.61 -150.1 78 97 89 99 503 44.7 2.161 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6438 1567.3 8.5 scans 45% 177 m/z (165) 0.21% 0.0912% 4363 0.9 278 271861 9717035 9280515 2-1 20: 177 157 43 178 135 77 91 79 105 93 117 107 149 121 133 39 51 122 192 41 0.572 29.68 354.8 73 99 54 96 192 30.9 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7477 1571.2 7.9 scans 46% 123 m/z (175) 0.54% 0.0183% 4381 0.8 131 104816 1959241 1827043 1-1 10: 123 135 124 107 95 109 193 134 53 125 0.944 29.77 357.2 72 94 93 96 193 10.4 0.629 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8321 1574.4 8.6 scans 19% 105 m/z 2.2% 0.00650% 4395 1.0 82 25789 692718 639155 1-1 16: 105 91 161 107 93 204 133 121 106 94 119 147 92 120 148 124 0.612 29.85 359.3 68 92 61 89 204 16.2 3.892 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1010 ?? Pentadecane 29.9372 1578.4 9.0 scans 66% 71 m/z (181) 0.67% 0.0493% 4413 0.9 185 84933 5251790 4840324 1-2 12: 71 57 85 84 99 127 113 155 70 56 169 86 0.894 30.38 -16.5 69 73 87 76 212 0.0 0.000 -0.440 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 29.9372 1578.4 9.0 scans 41% 71 m/z 0.69% 0.0273% 4413 0.9 147 82329 2909720 2681750 1-2 12: 71 57 85 84 99 127 113 155 70 56 169 86 0.715 29.94 362.0 67 89 71 87 254 4.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5146 1600.7 8.0 scans 57% 191 m/z (71) 0.27% 0.0374% 4511 0.9 183 210136 3989773 3649982 2-3 15: 191 206 192 57 74 163 115 175 147 88 73 164 116 128 133 0.964 30.50 375.9 77 99 94 99 206 48.8 7.117 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.8823 1616.1 8.8 scans 59% 162 m/z (132) 0.84% 0.0448% 4573 0.9 188 68027 4777973 4282374 1-2 19: 162 147 99 141 43 55 77 148 163 145 65 51 133 110 119 115 103 63 41 0.871 30.88 0.1 69 68 47 87 204 9.6 0.260 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9301 1618.1 8.6 scans 4.0% 172 m/z (162) 18% 0.00146% 4581 1.9 30 3086 155587 137688 1-3 3: 172 171 156 0.226 30.93 0.1 61 72 33 87 171 15.0 25.770 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1828 1628.8 9.0 scans 65% 111 m/z 0.35% 0.0619% 4624 0.9 239 159929 6603324 6342609 1-1 20: 111 109 137 43 67 180 110 124 152 95 41 39 57 69 85 71 112 138 81 77 0.858 31.18 393.8 78 100 92 99 180 51.5 4.647 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3121 1634.2 9.5 scans 75% TIC 0.21% 0.352% 4646 0.8 531 267060 37594543 35182920 1-4 0.882 31.35 396.7 80 100 89 99 194 111.4 4.398 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5252 1643.2 8.9 scans 76% 43 m/z (157) 0.32% 0.0666% 4682 0.8 230 174187 7102047 6480677 3-1 20: 43 98 111 166 55 151 82 83 41 68 127 81 107 67 123 69 59 39 71 58 0.983 31.52 0.5 96 98 98 99 166 46.9 4.172 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8806 1658.1 9.0 scans 78% 79 m/z (190) 0.57% 0.141% 4742 1.2 329 99730 15068493 13786350 5-2 20: 79 96 138 109 41 123 69 67 95 82 83 120 81 93 77 94 110 107 91 55 0.978 31.90 412.3 76 98 98 99 220 23.3 0.503 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.0571 1665.5 9.8 scans 76% 83 m/z (221) 0.23% 0.478% 4772 0.9 589 240695 50936146 46357498 2-1 20: 83 137 69 95 81 41 109 123 55 136 67 107 121 93 91 111 53 122 149 97 0.905 32.12 416.5 68 87 68 98 192 84.3 2.045 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0813 1666.5 6.8 scans 10% 221 m/z 0.51% 0.0311% 4776 1.0 184 111696 3313050 3094585 3-1 20: 221 73 147 207 295 222 341 223 355 325 281 267 74 326 356 283 357 296 75 342 0.951 32.08 0.1 92 94 86 95 355 30.5 2.752 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1763 1670.5 8.5 scans 70% 109 m/z (203) 0.081% 0.543% 4792 0.9 674 698957 57863845 54437969 1-4 20: 109 43 163 191 69 107 206 91 137 93 41 121 77 105 149 147 136 119 110 164 0.742 32.20 420.2 77 99 79 98 206 118.7 3.102 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1122 ? Longipinocarvone 32.5606 1686.7 8.3 scans 79% 134 m/z 0.44% 0.144% 4857 0.9 374 127791 15423782 14338164 2-2 20: 134 69 91 79 41 135 93 107 133 77 92 105 175 67 119 53 109 108 39 95 0.944 32.60 430.5 79 99 96 99 218 16.3 0.191 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8405 1698.4 8.1 scans 69% 79 m/z (149) 0.94% 0.0876% 4905 1.0 279 60467 0.0977% 9332480 8863442 10406711 1-2 20: 79 93 91 41 82 95 107 109 43 69 96 67 106 77 55 121 81 110 135 123 0.983 32.87 438.1 75 97 96 96 206 31.4 1.259 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9349 1702.4 7.5 scans 28% 71 m/z 0.45% 0.0122% 4921 0.9 122 125096 1301571 1185160 1-1 15: 71 43 123 138 111 159 56 72 155 83 143 234 124 89 73 0.645 32.93 0.1 86 98 87 96 243 18.7 2.354 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0855 1708.7 10.3 scans 28% 85 m/z (79) 5.5% 0.0144% 4946 0.5 91 10369 1535045 1396130 1-1 17: 85 97 57 55 84 98 70 56 111 194 68 100 138 99 54 42 196 0.802 33.09 0.0 84 93 92 94 224 5.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3122 1718.2 7.7 scans 60% 57 m/z (81) 0.50% 0.0494% 4985 1.0 205 113985 0.0515% 5268213 4472221 5485625 6-7 17: 57 71 43 85 41 55 99 56 70 113 98 42 226 86 58 72 126 0.915 33.37 -2.6 93 97 97 98 226 20.3 0.976 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8995 1728.3 7.9 scans 32% 71 m/z (233) 4.6% 0.00748% 5084 0.9 80 12240 797201 695815 6-1 13: 71 57 169 85 70 167 197 168 99 113 56 127 86 0.821 33.90 0.0 70 80 81 85 197 14.2 3.104 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1132 Longifolenaldehyde 34.1286 1731.6 9.5 scans 92% 109 m/z 0.035% 1.39% 5123 0.6 1060 1615339 148068724 136949540 3-2 20: 109 95 121 91 107 191 135 69 119 105 93 41 81 55 220 137 79 97 77 123 0.992 34.14 452.4 81 100 99 100 220 148.6 1.964 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4314 1735.9 8.6 scans 70% 73 m/z 0.029% 0.909% 5174 0.9 887 1910260 96864013 91012402 2-2 20: 73 355 147 221 356 401 357 282 222 327 207 283 385 325 75 416 191 328 417 399 0.979 34.39 452.9 80 99 95 99 415 104.9 1.399 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4538 1736.3 8.8 scans 35% 136 m/z (73) 0.12% 0.360% 5178 0.9 543 472061 38425925 35241762 1-1 20: 136 91 69 79 41 105 93 107 109 135 77 67 81 95 55 119 121 53 92 82 0.964 34.50 451.7 73 95 97 97 218 0.0 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5790 1738.1 9.6 scans 83% 69 m/z 0.087% 0.773% 5199 0.6 784 657188 82421062 75866346 2-3 20: 69 123 163 125 196 43 82 95 83 71 67 81 109 41 55 68 138 72 57 181 0.936 34.61 451.8 77 96 93 100 6 0.0 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7396 1740.3 9.6 scans 72% 91 m/z (109) 0.12% 0.154% 5226 0.7 335 442448 16434118 14815433 3-4 19: 91 155 199 90 65 184 92 44 89 120 63 106 77 39 64 200 156 51 134 0.980 34.79 451.3 77 99 97 99 199 91.3 7.418 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9007 1742.7 8.0 scans 26% 68 m/z (105 206) 3.2% 0.0112% 5254 1.4 97 17757 1196393 1153291 1-3 1: 68 0.891 34.90 -0.0 82 90 86 91 224 12.6 1.700 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6286 1753.1 9.1 scans 65% TIC 0.13% 0.172% 5377 0.7 511 431943 0.370% 18328733 18328733 39411289 0-0 0.936 35.70 450.4 68 88 86 87 224 6.2 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5619 1766.4 6.9 scans 58% 73 m/z (163) 0.37% 0.0582% 5535 1.0 247 152007 6200282 5805348 8-1 20: 73 221 147 207 295 222 281 223 369 341 370 296 74 148 208 355 297 282 327 283 0.961 36.58 449.9 77 99 96 99 369 36.5 2.193 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6900 1768.2 8.8 scans 77% 109 m/z 0.14% 0.223% 5557 0.9 454 389771 23848678 21807167 1-2 20: 109 220 43 135 123 124 91 81 205 97 69 41 79 221 121 149 95 77 107 93 0.964 36.70 449.7 80 100 97 99 220 143.0 9.907 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1206 ?? Spathulenol 36.7142 1768.6 >14 scans 6.2% 64 m/z (74) 1.5% 0.0147% 5561 0.0 95 35886 0.0432% 1568665 1568665 4601534 0-0 3: 64 71 86 0.078 32.67 77.1 60 86 8 84 220 100.4 0.000 4.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2290 1776.0 8.1 scans 84% 209 m/z 0.049% 0.362% 5648 0.9 579 1149191 38612692 36630415 2-2 20: 209 224 181 165 210 167 105 166 103 179 77 91 194 115 152 97 193 119 89 182 0.953 37.20 449.7 80 99 96 100 224 176.9 9.332 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1016 ?? Octadecane 37.3110 1777.1 8.0 scans 23% 71 m/z (211) 2.3% 0.00969% 5662 1.0 99 24655 1032221 1032221 0-0 16: 71 85 57 43 99 113 84 169 155 55 111 197 112 126 72 141 0.934 38.91 -22.9 65 72 76 76 254 0.0 0.000 -1.599 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9793 1786.7 9.1 scans 88% TIC 0.17% 0.469% 5775 0.7 640 335089 49985301 47153332 3-1 0.986 37.98 448.1 76 93 92 100 238 84.6 1.748 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0672 1787.9 10.1 scans 33% 57 m/z (109) 1.3% 0.0180% 5790 1.4 116 42048 1927499 1787308 0-3 20: 57 71 224 85 56 225 43 41 99 55 183 83 127 226 70 113 42 98 197 141 0.909 38.06 448.2 66 93 87 92 225 23.3 4.047 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.6546 1796.3 9.1 scans 94% TIC 0.021% 1.45% 5890 1.1 1070 2713544 154545959 141825564 2-7 0.993 38.59 448.2 80 100 99 100 429 306.9 8.242 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.9020 1923.0 >12 scans 69% 236 m/z 0.021% 2.35% 6101 0.1 1522 2612785 250551026 250551026 0-0 9: 236 280 243 223 183 49 265 175 215 0.994 39.94 553.9 79 99 98 98 278 78.0 0.263 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N479_R~1-N1176 ? Neophytadiene 39.9345 1927.0 6.4 scans 0.0078% 248 m/z 15% 0.000206% 6106 0.2 16 3710 0.000222% 21957 21957 23647 0-0 1: 248 1.000 39.94 0.0 72 100 100 100 278 11.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N406_R~1-N1110 Phytol 40.5460 2002.8 6.7 scans 77% 81 m/z (251) 0.17% 0.262% 6210 1.0 528 321906 0.346% 27995738 27169548 36854881 0-5 20: 81 82 95 68 123 69 55 67 83 57 79 43 41 109 96 97 124 71 110 111 0.989 40.66 -14.4 92 94 96 94 278 50.4 0.909 -0.116 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6110 2010.9 7.5 scans 39% 221 m/z (68) 0.55% 0.0432% 6221 1.1 203 103659 4605264 4355003 1-2 20: 221 73 147 295 281 207 222 369 296 223 282 148 370 297 74 355 283 341 371 401 0.936 40.63 630.8 72 94 94 99 369 31.1 2.344 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1254 Phytol 40.9445 2052.2 7.9 scans 86% TIC 0.17% 0.279% 6277 1.1 531 327661 29797089 27384817 2-1 0.989 40.87 9.5 99 99 98 98 278 62.9 1.402 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1148 ? UNK 40.98min 41.0443 2064.6 10.6 scans 45% 245 m/z 0.18% 0.0758% 6294 1.1 248 302553 8079676 7515770 0-2 17: 245 122 246 135 43 260 91 123 105 136 161 131 107 93 77 159 115 0.777 40.98 679.1 77 97 73 98 260 35.4 2.030 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1144 ? Sclareoloxide 41.1889 2082.5 10.8 scans 58% 109 m/z (74) 0.76% 0.105% 6319 1.3 271 74784 0.147% 11284966 10375528 15657998 2-0 19: 109 191 262 81 43 95 123 177 229 119 107 121 137 71 124 55 149 67 91 0.921 41.13 694.7 75 98 91 98 262 48.4 3.180 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3955 2108.2 13.2 scans 74% 191 m/z 0.074% 0.334% 6354 0.9 469 770872 35672022 34389604 1-1 20: 191 80 119 121 43 93 135 105 107 95 189 192 79 109 136 108 69 55 149 83 0.958 41.29 717.8 78 97 90 98 229 35.6 0.576 0.105 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.5225 2121.2 8.9 scans 82% 205 m/z 0.17% 0.348% 6375 0.7 548 331413 37145945 35406934 1-1 20: 205 57 175 189 220 177 55 232 91 41 261 203 191 77 115 161 192 233 206 109 0.944 41.49 -75.4 86 99 93 99 276 36.3 0.438 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7503 2134.0 10.1 scans 92% 69 m/z 0.013% 2.37% 6414 0.4 1342 4342157 253344262 235215439 3-2 20: 69 93 81 41 133 79 95 107 55 119 68 121 161 77 105 53 134 135 94 159 0.987 42.05 -16.6 82 82 78 82 272 69.7 0.000 -0.295 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0408 2150.3 7.5 scans 65% 74 m/z 0.18% 0.0878% 6463 1.0 310 311107 9352146 8818439 1-1 19: 74 87 43 75 143 55 227 41 270 57 59 129 88 101 185 97 83 171 56 0.922 42.01 748.3 78 97 90 97 272 0.0 0.000 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3395 2167.1 8.1 scans 82% 73 m/z 0.094% 0.228% 6514 1.0 458 606484 24333947 22352029 2-3 20: 73 147 281 221 355 429 207 341 503 282 74 148 222 283 430 504 356 415 295 431 0.969 42.37 758.1 75 92 94 99 503 70.8 2.390 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 42.7120 2188.0 9.0 scans 14% 149 m/z (137) 0.64% 0.0141% 6577 1.4 97 88448 1512360 1272779 10-3 5: 149 223 76 104 278 0.734 40.31 813.1 62 89 79 94 223 17.5 3.216 2.407 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9428 2200.9 8.9 scans 28% 148 m/z (69) 1.6% 0.0159% 6616 0.9 114 34382 1702483 1564856 2-1 6: 148 133 190 106 243 273 0.888 42.90 2.2 87 93 74 92 272 14.3 1.580 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0378 2206.3 8.3 scans 77% 82 m/z (190) 0.035% 0.401% 6632 1.0 586 1618494 42806035 39424557 2-3 19: 82 81 95 43 83 41 109 55 57 69 292 53 67 94 137 108 71 135 133 0.985 43.03 784.2 78 100 99 99 292 65.6 1.257 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.1978 2215.3 10.1 scans 22% TIC 2.0% 0.0113% 6659 1.0 118 27350 1204002 1204002 0-0 0.411 43.15 2.5 71 76 24 72 272 20.2 0.000 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.2858 2220.2 8.8 scans 17% 264 m/z (192) 1.8% 0.00993% 6674 2.1 85 31561 1057685 905264 1-6 8: 264 235 183 87 142 247 154 169 0.217 43.31 -1.2 84 95 26 93 278 23.2 7.533 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.3265 2222.5 9.1 scans 39% 108 m/z (264) 2.5% 0.0315% 6681 1.0 156 22847 3357447 3082671 2-2 11: 108 119 133 134 161 288 189 255 273 120 106 0.904 42.99 18.9 62 67 68 71 272 10.9 0.490 0.337 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5691 2236.1 9.2 scans 35% 81 m/z (70) 3.0% 0.0215% 6722 1.7 125 18538 2294853 2056499 1-2 19: 81 79 93 216 146 107 41 123 95 227 55 188 203 201 134 135 91 176 103 0.854 43.55 0.9 75 83 76 87 272 12.2 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1242 ?? Kaur-15-ene, (5?,9?,10?)- 43.7031 2243.6 7.9 scans 9.0% 148 m/z (84) 5.8% 0.00280% 6744 0.8 49 9834 298470 273066 0-3 2: 148 133 0.750 43.66 2.4 65 76 45 73 272 8.1 0.000 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8590 2252.4 10.4 scans 22% 84 m/z (123) 3.1% 0.0112% 6771 1.5 89 18135 1197907 1083095 0-3 6: 84 56 183 71 72 155 0.851 43.94 -4.3 62 81 75 77 282 4.6 0.000 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1238 ?? Trachylobane 44.1654 2269.9 12.8 scans 42% 43 m/z (191) 1.6% 0.0465% 6823 0.7 165 35533 4953460 4605011 1-1 20: 43 71 205 105 82 123 134 153 188 56 97 189 273 263 141 119 233 258 68 129 0.904 44.15 0.6 64 70 65 73 272 9.1 0.303 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1234 ?? Thunbergol 44.5485 2291.9 10.3 scans 33% 124 m/z (57) 4.3% 0.0166% 6888 1.1 109 13171 1769247 1615580 1-1 11: 124 137 190 138 123 204 259 205 164 177 122 0.764 44.90 -20.3 64 71 65 69 272 3.8 0.000 -0.353 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5839 2294.0 13.0 scans 27% 191 m/z (124) 4.2% 0.0157% 6893 0.6 95 13548 1679891 1574024 0-1 8: 191 109 121 106 135 53 192 107 0.846 44.55 1.8 82 89 79 88 272 7.7 0.000 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0857 2322.9 7.0 scans 25% 191 m/z (254) 5.8% 0.00755% 6979 0.8 88 9794 804193 720472 1-1 20: 191 136 192 82 123 135 137 273 81 125 124 79 109 93 177 108 193 67 53 150 0.896 45.56 -27.5 72 80 76 79 290 2.8 0.000 -0.477 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1156 ? Sclareolide 45.6093 2353.0 10.9 scans 83% 123 m/z (191) 0.12% 0.789% 7068 0.5 707 462457 84070105 79560082 2-2 16: 123 125 82 124 109 81 67 137 235 68 96 79 150 107 206 53 0.929 45.58 881.0 72 93 86 98 290 27.4 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7911 2363.5 8.3 scans 42% 73 m/z (177) 0.43% 0.0544% 7099 1.1 215 132019 5799953 5383536 2-3 20: 73 147 355 221 281 356 357 207 282 429 74 341 148 283 415 401 430 267 503 327 0.922 45.78 0.9 96 98 90 98 503 19.1 0.786 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1150 ? UNK 46.46min 46.4364 2400.6 9.2 scans 64% 191 m/z 0.039% 0.599% 7208 0.7 679 1444411 63804313 56794976 4-7 17: 191 137 69 109 95 81 55 71 123 235 121 41 67 135 83 125 97 0.838 46.47 911.3 72 92 78 98 235 106.8 2.473 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.6914 2415.3 9.1 scans 34% 177 m/z (290) 2.9% 0.0217% 7250 0.8 126 19265 2319241 2052288 2-1 20: 177 137 109 139 277 123 83 95 245 93 189 175 121 107 153 91 288 163 149 65 0.817 46.49 11.3 67 75 74 75 290 3.1 0.000 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1152 ? UNK 47.18min 47.1341 2440.8 9.2 scans 85% TIC 0.10% 0.325% 7326 0.8 526 554122 0.376% 34629672 32835013 40050391 0-2 0.965 47.18 936.4 79 99 95 99 278 47.9 0.829 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2811 2449.2 8.2 scans 39% 134 m/z (290) 1.2% 0.0282% 7351 1.0 154 46385 3009436 2717950 2-1 10: 134 119 84 81 191 79 178 135 272 148 0.944 47.36 -4.3 93 96 84 95 272 16.1 1.092 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1226 ? Sclareol 47.42min 47.3644 2454.0 >16 scans 35% 71 m/z (98 192) 2.2% 0.0366% 7365 1.7 138 25855 3908697 3610252 0-2 18: 71 175 95 81 159 163 69 176 237 96 113 164 178 130 58 135 290 121 0.903 47.42 -3.1 79 86 81 86 290 15.6 1.294 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6914 2472.8 7.2 scans 32% 221 m/z (247) 3.4% 0.00790% 7420 1.2 87 16776 841492 777376 2-4 15: 221 73 147 295 369 222 281 207 223 355 282 297 370 371 296 0.654 44.32 1025.5 67 95 75 99 369 16.4 3.551 3.371 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9346 2486.8 20.7 scans 60% TIC 1.8% 0.0340% 7462 1.1 179 31407 0.0631% 3627049 3208764 6721222 10-0 0.818 47.95 -0.8 82 85 80 84 272 14.3 0.638 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN N407_R~1-N1154 UNK 48.48min 48.4618 2517.2 8.8 scans 93% 148 m/z 0.045% 0.459% 7551 0.9 627 1272464 48957601 46632146 2-2 20: 148 95 149 133 69 147 43 109 108 161 41 96 135 55 81 286 162 67 71 121 0.987 48.48 979.0 81 100 98 100 286 73.3 1.363 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9352 2544.4 7.8 scans 67% 73 m/z (105) 0.75% 0.0289% 7631 1.2 161 75634 3087619 2871122 2-4 19: 73 147 221 355 429 281 430 207 341 282 148 222 74 283 356 267 415 369 297 0.893 48.95 994.0 72 94 94 99 429 40.3 6.292 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3520 2625.9 7.7 scans 25% 74 m/z (137) 3.4% 0.00529% 7871 1.3 68 16680 563878 526752 3-4 8: 74 87 143 326 101 283 199 75 0.738 50.36 1038.9 64 95 70 90 326 13.7 4.022 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8521 2712.2 7.9 scans 62% 73 m/z 1.3% 0.0147% 8126 1.1 117 43611 1570910 1440082 2-4 19: 73 221 147 429 281 355 431 222 267 295 74 282 205 357 148 343 504 356 430 0.835 51.86 1081.3 77 99 85 97 503 17.0 2.109 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1030 Pentacosane 54.6650 2874.1 8.4 scans 65% 57 m/z (221) 1.4% 0.0204% 8602 1.1 128 40287 2173916 1987560 2-3 20: 57 71 85 43 99 55 41 113 69 56 83 70 169 155 97 183 141 84 111 96 0.910 54.79 -7.2 87 93 85 89 352 8.6 0.000 -0.125 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP1.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7967 3169.3 12.0 scans 43% 71 m/z 4.1% 0.00575% 9470 1.0 61 13724 613193 578018 3-3 11: 71 85 43 55 113 69 98 58 83 169 86 0.648 59.97 -9.8 67 72 55 67 380 4.1 0.000 -0.170 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2212 774.2 5.2 scans 89% 77 m/z 0.046% 0.100% 57 2.6 336 1240833 11136380 10239911 0-7 14: 77 45 78 79 62 76 59 75 63 47 61 46 92 64 0.999 4.37 20.2 100 100 99 100 77 286.2 72.609 -0.150 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1016 ?? Pivalic acid 6.1357 824.0 12.0 scans 38% 57 m/z (56) 1.4% 0.00976% 381 0.6 68 39938 1087029 991174 1-8 5: 57 41 59 102 87 0.709 6.03 -137.6 68 98 76 95 102 10.1 0.000 0.103 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6410 863.2 8.1 scans 75% 69 m/z 1.5% 0.0220% 636 1.5 142 36944 0.0318% 2450387 2330137 3540515 1-0 20: 69 83 55 41 39 42 57 98 70 97 53 80 43 56 79 51 54 38 68 50 0.953 7.71 7.9 99 99 96 99 98 32.5 5.213 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.3400 985.5 >15 scans 31% 283 m/z (73) 2.1% 0.00598% 1432 7.8 57 27328 665872 607777 0-1 5: 283 76 125 177 266 0.715 12.22 39.2 89 99 72 98 281 42.5 55.833 0.120 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6689 994.1 >8 scans 50% TIC 1.9% 0.00316% 1488 0.7 72 29570 352209 326341 2-0 0.919 13.22 30.5 93 97 88 97 110 22.9 10.096 -0.553 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9127 1000.5 7.5 scans 15% 57 m/z 7.1% 0.00179% 1529 1.3 47 8078 199427 176164 1-3 19: 57 84 41 43 55 44 71 67 68 81 69 82 39 56 100 110 121 50 99 0.405 12.96 -174.3 69 94 38 91 110 10.0 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1039 1032.7 11.0 scans 91% 79 m/z 0.059% 0.509% 1731 1.0 549 968581 56673515 50484071 2-6 20: 79 108 107 77 51 91 78 50 80 90 89 39 63 65 53 52 74 105 62 38 0.985 14.11 53.7 92 100 100 100 108 242.8 19.539 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4393 1041.8 9.2 scans 80% 91 m/z 0.20% 0.0542% 1787 1.5 196 286780 6042913 5630144 1-4 20: 91 92 120 65 63 39 89 51 121 62 50 52 90 93 66 38 74 61 87 86 0.955 14.44 57.0 91 100 97 100 120 64.0 10.670 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1665 1061.5 10.7 scans 70% 105 m/z 0.27% 0.0566% 1911 1.2 194 208977 0.0882% 6305340 5673876 9819918 3-1 20: 105 77 123 51 46 106 50 78 124 74 76 75 79 52 49 104 62 63 73 61 0.973 15.17 64.1 88 99 95 99 123 70.8 13.268 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1931 1062.2 9.0 scans 34% 94 m/z (105) 0.78% 0.0217% 1916 1.4 120 73879 2420583 2169807 2-4 5: 94 109 66 122 110 0.833 16.11 -208.0 76 99 94 99 109 64.4 28.961 -0.916 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN 98-86-2 ? Acetophenone 15.2575 1064.0 10.4 scans 67% 105 m/z 0.38% 0.0348% 1926 1.3 166 151055 3874587 3463832 1-3 19: 105 77 120 51 50 78 106 43 74 76 107 91 121 62 65 89 61 86 98 0.968 15.29 -181.7 78 98 94 99 120 58.7 12.560 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.4245 1068.5 8.3 scans 38% 95 m/z (119) 2.2% 0.00908% 1954 1.4 83 26317 1011359 898908 2-3 9: 95 81 124 109 125 53 82 107 96 0.919 15.43 66.8 79 94 85 97 124 23.8 8.139 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1014 ?? Contamination 6.52min 15.6760 1075.3 11.3 scans 15% 209 m/z (69) 3.3% 0.00660% 1997 1.1 55 17096 735111 555074 5-8 15: 209 208 61 191 75 193 146 194 47 103 101 88 133 115 210 0.581 6.53 98.5 66 92 54 93 207 33.6 37.040 9.148 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7728 1107.9 8.2 scans 53% 57 m/z 0.62% 0.0442% 2183 1.1 201 93198 0.0474% 4927397 4500293 5277371 0-3 19: 57 41 43 56 98 55 70 44 82 68 95 96 39 67 71 42 83 97 54 0.702 16.82 85.5 72 90 74 89 124 4.5 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1004 ? Blank_Nonanal 16.7746 1107.9 8.4 scans 50% TIC 0.63% 0.0416% 2183 1.0 196 91762 0.0570% 4635830 4283469 6346206 0-3 0.587 16.82 -183.5 72 96 59 94 124 4.5 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0456 1119.4 9.2 scans 84% 91 m/z 0.10% 0.148% 2229 1.4 330 536382 16576869 15858457 1-3 20: 91 92 93 77 122 65 121 78 51 39 43 63 136 89 94 103 85 50 123 104 0.952 17.05 93.4 70 87 86 90 122 85.3 6.703 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.0763 1162.9 10.7 scans 38% 355 m/z (358) 1.1% 0.0189% 2404 1.3 112 52538 2109499 2005765 2-2 15: 355 267 356 268 357 251 170 270 252 269 207 179 154 340 249 0.727 18.09 121.3 74 98 58 98 355 58.9 27.758 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0769 1162.9 >7 scans 59% TIC 0.76% 0.0133% 2404 0.2 139 75433 1489984 1365267 1-0 0.865 18.13 -168.8 79 99 91 99 355 58.7 17.770 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1018 ? Pyranone 18.1701 1166.9 10.8 scans 80% TIC 0.21% 0.133% 2420 0.5 288 271736 14835607 13347746 2-6 0.893 18.22 123.4 79 99 88 98 144 130.6 20.601 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN M4942-N1002 ? Pyranone 18.1707 1166.9 10.5 scans 76% 144 m/z 0.22% 0.116% 2420 0.6 281 253901 12935370 12183833 2-5 17: 144 43 101 44 72 55 45 115 145 42 58 53 102 74 39 116 146 0.902 20.04 -223.6 79 99 86 98 144 128.6 20.958 -1.871 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8219 1194.4 9.9 scans 52% 70 m/z (58) 4.1% 0.0132% 2530 0.9 94 14007 1477496 1343617 1-3 16: 70 83 55 69 57 81 84 56 96 98 67 93 54 72 122 94 0.945 18.83 141.7 68 90 90 98 122 8.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1012 ? Nicotine 18.9618 1200.3 >5 scans 5.0% 133 m/z 9.8% 0.000293% 2554 9.8 20 5902 0.000843% 32597 30935 93857 0-4 2: 133 135 0.164 25.78 45.0 70 100 100 100 162 0.0 0.000 -6.816 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.1389 1207.8 >24 scans 25% TIC 2.5% 0.00642% 2584 1.1 65 22486 715333 659877 1-1 0.732 20.03 137.1 70 95 76 94 122 37.3 32.984 -0.890 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7475 1233.5 11.3 scans 65% 119 m/z (127) 0.48% 0.0349% 2687 1.4 144 120733 3886694 3622435 3-4 13: 119 91 134 65 63 92 135 82 90 67 51 50 64 0.911 13.76 34.0 75 81 70 82 134 50.0 12.060 5.991 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8130 1236.3 9.0 scans 56% 57 m/z (127) 1.0% 0.0207% 2698 1.4 123 55380 2310664 2148723 2-3 14: 57 45 75 87 56 100 101 59 72 58 85 73 60 132 0.969 19.81 168.8 74 95 94 98 144 2.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1034 ? Decanal 20.5185 1263.7 8.3 scans 77% TIC 1.0% 0.0397% 2817 0.8 186 53884 4428712 4057605 2-2 0.951 20.57 -143.3 78 99 97 98 138 10.1 0.000 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1006 ?? Arosol 20.9435 1276.4 13.0 scans 23% 94 m/z (91) 1.4% 0.00817% 2889 1.6 67 40355 909640 880910 1-1 5: 94 138 87 125 139 0.739 20.98 191.4 69 97 67 95 152 3.6 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.1802 1283.5 >5 scans 2.3% 267 m/z 4.4% 0.00118% 2929 0.0 38 12977 0.00259% 132131 132131 288363 0-0 4: 267 282 207 249 0.038 12.25 130.4 67 98 64 96 281 29.3 58.313 8.929 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8975 1335.1 8.0 scans 9.6% 109 m/z (71) 2.7% 0.00817% 3220 1.1 80 21421 909569 821460 3-2 3: 109 86 110 0.801 22.91 221.5 62 90 77 90 127 8.2 1.053 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.2068 1344.3 >21 scans 87% 60 m/z 0.19% 0.312% 3273 0.1 361 303271 34765228 32636884 0-9 20: 60 73 57 55 41 115 129 43 98 69 61 87 42 56 45 39 83 101 70 97 0.981 25.35 195.1 77 95 94 99 162 0.0 0.000 -2.147 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0876 1371.5 7.1 scans 63% 73 m/z 0.38% 0.0414% 3422 1.0 202 149623 4613885 4274000 2-7 19: 73 341 342 325 147 343 429 430 431 326 74 251 207 191 344 327 75 148 82 0.802 24.17 -152.3 79 99 87 99 429 61.7 9.367 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6838 1391.5 8.0 scans 74% 43 m/z 0.77% 0.0313% 3523 0.9 172 75028 3494476 3232884 2-3 20: 43 69 83 41 55 142 85 82 56 58 113 111 70 39 71 57 67 143 68 93 0.909 24.70 251.9 66 84 81 98 170 2.6 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.1921 1408.4 7.6 scans 26% 43 m/z (137) 2.9% 0.00305% 3609 0.9 51 19409 339770 295938 8-0 8: 43 103 145 144 116 115 146 61 0.883 25.24 -151.5 69 92 92 99 145 19.7 15.174 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4241 1416.2 11.0 scans 82% 84 m/z 0.12% 0.142% 3649 1.9 296 461882 15863593 14975785 1-4 20: 84 133 162 161 42 119 92 118 85 130 82 65 51 117 78 120 163 39 105 63 0.920 25.89 259.2 75 96 88 95 162 76.2 6.650 -0.468 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 25.4454 1416.9 10.2 scans 2.1% 143 m/z 2.9% 0.00220% 3652 0.8 44 19939 245562 223510 1-1 15: 143 132 69 128 54 83 115 160 111 108 173 127 147 157 100 0.025 40.24 43.0 61 83 16 77 272 0.0 0.000 -14.799 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1040 ?? Nonanoic acid 26.0646 1437.6 9.0 scans 46% 73 m/z (136) 1.8% 0.0183% 3757 0.5 114 30611 2037564 1862286 2-1 14: 73 60 129 71 55 57 41 87 143 101 112 172 74 45 0.919 22.70 -37.7 69 72 80 90 158 2.9 0.000 3.369 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1112 ? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0068 1469.0 8.2 scans 87% 136 m/z 0.28% 0.182% 3917 1.0 402 205510 20331595 19454636 2-2 20: 136 121 43 69 93 161 109 41 79 95 81 107 176 67 123 91 105 77 55 179 0.980 27.02 295.6 79 99 98 98 208 5.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1036 1472.3 6.6 scans 29% 221 m/z 3.2% 0.00445% 3933 1.0 70 17674 496272 456572 1-3 16: 221 73 147 281 283 267 355 223 222 268 148 282 74 443 356 131 0.834 27.12 297.4 73 95 78 94 355 13.9 3.973 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1656 1474.4 7.4 scans 48% 57 m/z 1.5% 0.00817% 3943 1.2 97 37711 0.0122% 910344 843171 1358311 2-0 20: 57 71 85 43 41 113 56 70 198 55 99 42 127 72 98 84 170 155 169 75 0.880 27.21 -1.4 89 91 82 89 198 13.1 1.831 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1032 Myosmine 27.9720 1504.5 10.9 scans 91% 118 m/z 0.043% 0.568% 4080 0.9 604 1337073 63254196 57887142 2-3 20: 118 146 145 105 78 51 119 147 91 104 41 117 63 65 42 77 39 64 50 76 0.992 27.93 317.8 80 100 99 100 146 257.8 18.229 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3864 1520.1 8.9 scans 11% 80 m/z (123) 5.0% 0.00239% 4150 0.8 42 11432 267068 243222 2-5 3: 80 175 170 0.554 28.39 326.7 61 92 71 94 171 19.6 21.892 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6585 1530.3 7.9 scans 92% 43 m/z 0.072% 0.279% 4196 0.9 501 804682 31074929 29474766 2-3 20: 43 69 41 151 136 107 67 125 93 109 83 53 121 81 39 68 55 79 108 91 0.990 28.67 332.9 80 99 99 99 194 31.3 0.390 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9159 1540.0 8.7 scans 32% 133 m/z (57) 7.4% 0.0103% 4239 1.2 87 7745 1149266 1129163 0-3 15: 133 119 91 122 105 204 107 120 110 108 79 93 162 77 106 0.850 45.98 60.3 62 77 63 78 204 17.3 3.921 -17.059 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0913 1546.6 15.7 scans 64% TIC 0.91% 0.0277% 4270 1.4 161 63118 0.0384% 3086720 3086720 4275339 0-0 0.939 29.10 342.7 65 85 86 85 227 3.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5246 1562.9 7.8 scans 69% TIC 0.25% 0.0823% 4343 1.2 275 231198 9166222 8039692 9-1 0.914 29.61 -150.2 79 99 92 98 503 46.3 2.838 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6462 1567.4 8.2 scans 76% 177 m/z (203) 0.22% 0.0848% 4363 0.9 263 260608 9445318 8993092 2-1 20: 177 158 43 178 157 135 91 77 93 159 79 149 105 121 95 122 107 192 133 130 0.962 29.68 354.9 70 92 90 92 192 28.9 1.203 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7453 1571.2 7.5 scans 42% TIC 0.50% 0.00805% 4380 1.2 119 114455 896844 816552 1-1 0.803 29.77 357.2 77 98 83 97 193 10.3 0.751 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8321 1574.4 8.4 scans 56% 105 m/z (181) 1.0% 0.0265% 4395 0.9 145 56916 0.0303% 2950713 2695284 3373509 2-2 19: 105 91 161 93 121 107 133 106 204 119 79 94 189 148 80 77 134 147 104 0.939 29.85 359.3 76 98 95 98 204 22.6 2.436 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 29.9419 1578.5 >6 scans 41% TIC 1.3% 0.00425% 4414 0.7 111 42242 474015 445155 1-0 0.901 29.94 362.1 69 94 89 93 254 3.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1010 ?? Pentadecane 30.3221 1592.8 8.3 scans 24% 57 m/z (183) 2.8% 0.00760% 4478 1.4 78 20428 846954 838290 1-0 15: 57 43 71 85 139 140 212 70 98 94 56 99 86 127 97 0.889 30.38 -2.1 67 75 68 74 212 10.0 1.630 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5181 1600.8 7.9 scans 55% 191 m/z (187) 0.31% 0.0320% 4511 1.3 165 183272 3572108 3338474 2-3 13: 191 206 57 192 74 175 73 161 88 207 52 134 66 0.920 30.50 376.0 77 99 95 99 206 44.6 7.315 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8085 1613.0 8.5 scans 47% 137 m/z (111 136) 2.0% 0.0165% 4561 0.8 112 28206 1837401 1681401 4-1 5: 137 124 138 168 54 0.877 30.81 383.6 65 86 83 95 180 22.1 3.875 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8912 1616.5 8.7 scans 71% 162 m/z (173) 0.51% 0.0547% 4574 1.0 209 112663 6092433 5797809 1-2 20: 162 147 161 111 69 99 141 55 91 43 148 163 77 95 106 105 79 101 115 142 0.977 30.88 0.5 71 70 53 83 204 7.7 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1899 1629.1 9.1 scans 67% 111 m/z 0.32% 0.0647% 4625 0.9 235 175914 7209457 6836245 2-1 19: 111 109 137 67 43 180 110 124 152 95 41 79 39 77 112 81 69 53 165 0.881 31.18 394.1 78 99 91 99 180 52.8 5.050 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3180 1634.4 9.1 scans 89% TIC 0.16% 0.462% 4647 0.8 600 341528 51540703 48173277 1-3 0.966 31.35 396.9 80 100 98 100 194 125.7 4.390 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5222 1643.0 9.2 scans 58% 43 m/z (167) 0.80% 0.0266% 4681 0.9 139 72140 2962200 2706407 3-1 20: 43 98 111 166 151 127 82 99 41 68 83 39 59 67 71 114 123 126 169 55 0.947 31.52 0.3 92 97 93 96 166 29.8 4.607 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8800 1658.1 9.1 scans 74% 96 m/z (130) 0.68% 0.115% 4742 1.1 286 84922 12872649 11814241 5-3 19: 96 79 138 109 41 123 69 95 81 120 82 67 83 110 94 77 93 107 53 0.987 31.90 412.3 74 96 97 96 220 21.0 0.540 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.0594 1665.6 9.7 scans 70% 69 m/z (221) 0.25% 0.381% 4772 0.9 515 226351 42506215 40040087 2-0 20: 69 83 95 81 109 41 123 55 67 82 121 107 93 77 91 122 111 53 149 110 0.808 32.12 416.6 67 90 67 98 192 81.6 0.000 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0854 1666.7 6.8 scans 20% 221 m/z (87) 0.31% 0.0521% 4777 1.1 226 184441 5804632 5334485 3-1 19: 221 73 147 295 222 207 341 355 223 281 325 296 267 356 74 342 297 339 343 0.680 32.08 0.3 93 97 90 97 355 40.4 3.214 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1734 1670.4 9.0 scans 61% 109 m/z (218) 0.12% 0.379% 4792 1.0 533 480880 42271285 39280298 1-4 20: 109 43 163 191 69 206 107 91 137 41 93 79 121 77 135 149 105 147 150 136 0.662 32.20 420.1 76 99 75 97 206 91.6 2.956 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1122 ? Longipinocarvone 32.5600 1686.6 8.3 scans 79% 134 m/z 0.45% 0.132% 4857 0.9 351 128277 14745564 13713176 2-2 20: 134 69 91 41 79 135 93 133 77 107 92 105 175 67 119 53 108 39 109 95 0.949 32.60 430.4 79 99 95 99 218 16.2 0.214 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8369 1698.3 8.5 scans 61% 79 m/z (70) 1.1% 0.0718% 4904 1.4 229 52354 7999859 6984200 1-3 15: 79 93 91 82 95 109 96 107 67 106 77 135 81 206 110 0.879 32.87 438.0 70 93 85 92 206 31.5 1.886 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9319 1702.3 7.7 scans 29% 71 m/z 0.55% 0.0111% 4920 1.0 112 105464 1244243 1172037 0-1 17: 71 43 111 243 56 159 72 143 173 179 155 124 98 83 219 73 89 0.752 32.93 -0.0 89 95 90 95 243 17.8 2.544 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1212 ? Hexadecene 33.0849 1708.7 8.7 scans 28% 83 m/z (109) 5.3% 0.0119% 4946 0.7 86 10806 1328780 1205609 1-2 13: 83 97 57 70 84 56 151 98 111 68 54 42 194 0.870 33.09 -0.0 78 84 89 92 224 4.4 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3098 1718.1 7.7 scans 54% 57 m/z (165) 0.67% 0.0353% 4984 1.0 170 85573 0.0389% 3940215 3542631 4331007 0-7 18: 57 71 85 43 41 99 70 56 113 42 127 98 112 141 72 207 140 355 0.681 33.37 -2.7 88 98 91 98 226 17.3 1.038 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1132 Longifolenaldehyde 34.1268 1731.6 9.5 scans 93% 109 m/z 0.043% 1.11% 5123 0.6 922 1326961 124058526 117523192 3-1 20: 109 121 191 107 91 119 69 93 41 81 220 55 137 79 123 189 67 136 110 149 0.996 34.14 452.4 81 100 99 100 220 132.7 2.070 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4284 1735.9 8.0 scans 58% 73 m/z 0.066% 0.359% 5174 0.9 567 868064 39992347 37215898 2-3 20: 73 355 221 147 281 356 401 357 282 402 222 415 327 74 267 283 403 207 148 358 0.981 34.39 452.9 79 99 94 99 415 68.3 1.453 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4485 1736.2 8.8 scans 44% 136 m/z (73) 0.14% 0.294% 5177 1.2 469 396941 32808918 29474700 2-1 20: 136 91 79 41 69 93 105 107 135 117 67 77 109 55 81 119 137 133 53 159 0.973 34.50 451.6 74 96 96 98 218 0.0 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5766 1738.0 10.1 scans 88% TIC 0.10% 0.697% 5199 0.7 715 564565 77677623 73702848 1-1 0.964 34.61 451.7 78 96 97 100 6 0.0 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7437 1740.4 9.7 scans 62% 91 m/z (83) 0.18% 0.103% 5227 0.8 268 309983 11550782 10812828 2-3 20: 91 155 199 90 65 184 92 89 120 44 137 63 77 39 200 64 156 134 51 132 0.810 34.79 451.4 76 99 94 99 199 75.1 7.828 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9013 1742.7 7.6 scans 23% 68 m/z (109) 2.7% 0.0100% 5254 1.3 89 21210 1118015 987377 4-3 2: 68 154 0.665 34.90 -0.0 81 92 65 91 224 13.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1206 ?? Spathulenol 34.9851 1743.9 11.8 scans 43% 165 m/z (222) 5.3% 0.0251% 5268 0.9 118 10866 2795139 2317380 8-1 9: 165 206 177 163 164 175 60 137 144 0.885 32.67 52.4 65 82 73 83 220 8.8 0.000 2.310 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6309 1753.1 8.7 scans 79% 71 m/z (212) 0.11% 0.389% 5377 1.0 549 512316 0.621% 43344107 40481264 69140240 0-8 20: 71 83 97 69 55 43 191 81 67 57 41 95 137 109 82 153 72 177 123 206 0.956 35.70 450.4 74 96 90 95 224 20.4 0.000 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5938 1766.9 7.0 scans 69% 221 m/z 0.19% 0.108% 5540 1.2 331 293881 12040313 11300109 2-2 20: 221 73 147 295 207 281 222 369 223 341 296 148 327 74 208 282 297 355 370 267 0.941 36.58 450.4 78 98 95 99 369 51.0 2.370 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6858 1768.2 7.8 scans 62% TIC 0.28% 0.0663% 5556 1.0 303 203964 7382390 7341245 1-0 0.929 36.70 449.7 79 99 92 99 220 104.4 11.894 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2337 1776.0 8.3 scans 76% 209 m/z 0.089% 0.189% 5649 0.8 404 649643 21141101 19918124 2-2 20: 209 224 181 165 210 167 178 105 166 179 103 225 194 77 91 152 115 193 97 119 0.945 37.20 449.7 79 99 94 99 224 127.2 9.898 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1016 ?? Octadecane 37.3116 1777.1 7.4 scans 16% 71 m/z (237) 3.1% 0.00615% 5662 1.3 75 18688 685696 614238 1-0 18: 71 57 99 43 155 113 127 86 211 70 111 225 84 141 58 114 42 125 0.895 38.91 -22.9 60 71 66 69 254 0.0 0.000 -1.598 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN GLAU_R~1-N1084 ?? Pentadecane 37.3116 1777.1 7.4 scans 12% 71 m/z 3.0% 0.00174% 5662 1.3 65 18768 194312 174063 1-0 18: 71 57 99 43 155 113 127 86 211 70 111 225 84 141 58 114 42 125 0.732 24.54 639.8 64 87 55 85 169 9.9 0.000 12.770 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9852 1786.8 9.6 scans 83% 109 m/z 0.17% 0.467% 5776 0.6 595 336524 52017477 48205700 3-2 20: 109 177 95 192 43 97 84 69 81 123 41 107 71 87 55 238 121 93 67 94 0.944 37.98 448.2 75 94 90 99 238 84.8 2.030 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0619 1787.9 9.7 scans 34% 57 m/z (109 123) 1.7% 0.0162% 5789 1.6 108 32300 1812983 1632228 0-4 15: 57 71 56 225 85 99 224 113 127 141 196 70 197 155 86 0.868 38.06 448.2 63 91 88 94 225 19.7 3.352 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.6812 1796.7 8.6 scans 83% 73 m/z 0.077% 0.304% 5894 1.0 504 747512 33850173 31048397 2-3 20: 73 429 147 221 355 430 281 341 431 207 222 401 74 357 148 342 267 343 283 402 0.976 38.59 448.6 80 99 97 99 429 146.8 8.496 0.090 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8093 1911.5 >8 scans 6.6% 136 m/z 0.29% 0.105% 6085 0.2 342 197541 11788713 10175839 3-0 4: 136 239 73 92 0.151 40.66 531.0 64 87 19 86 278 60.5 3.124 -0.853 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8919 1921.7 >12 scans 95% 249 m/z 0.018% 2.95% 6100 0.0 1595 3064592 329096856 329096856 0-0 5: 249 265 263 243 168 0.999 39.94 552.6 80 99 100 99 278 86.6 0.294 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N406_R~1-N1110 Phytol 40.5696 2005.8 6.9 scans 59% 81 m/z 0.20% 0.173% 6214 1.0 443 282073 0.227% 19319410 18708214 25273485 0-6 20: 81 82 95 68 123 69 55 67 79 109 83 57 43 41 96 97 124 71 111 110 0.870 40.66 -11.4 89 90 82 89 278 47.1 1.133 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1254 Phytol 40.9622 2054.4 8.2 scans 78% 81 m/z (189) 0.28% 0.238% 6280 1.1 413 206747 26517455 21677149 2-11 20: 81 82 95 68 123 57 79 43 69 55 71 83 67 96 41 124 109 278 110 85 0.988 40.87 11.7 97 98 98 99 278 52.5 1.618 0.095 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1148 ? UNK 40.98min 41.0549 2065.9 8.0 scans 30% TIC 0.27% 0.0135% 6296 1.0 181 207771 1503524 1409625 1-1 0.796 40.98 680.4 77 97 72 97 260 28.6 2.500 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1144 ? Sclareoloxide 41.2007 2084.0 9.6 scans 51% 109 m/z (74) 0.38% 0.128% 6321 1.1 294 148936 0.155% 14348616 13331556 17257226 2-0 20: 109 262 81 95 191 43 123 41 82 177 107 229 67 137 125 189 136 79 71 110 0.769 41.13 696.2 71 93 83 93 262 58.3 3.917 0.072 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.4221 2111.4 13.7 scans 66% TIC 0.070% 0.262% 6358 0.7 434 826900 29266319 26863044 2-1 0.927 41.29 721.0 78 98 92 98 229 34.8 0.643 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.5508 2122.8 9.5 scans 90% TIC 0.11% 0.527% 6380 0.5 641 500942 58692954 55940588 1-1 0.978 41.49 -73.8 87 100 97 99 276 43.6 0.462 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7190 2132.2 19.2 scans 2.4% 138 m/z 0.37% 0.0207% 6409 3.5 143 155703 0.0388% 2308323 2215157 4319873 0-1 15: 138 71 125 85 126 262 155 99 127 100 37 181 113 196 59 0.021 42.05 -18.4 85 95 0 92 272 50.3 0.000 -0.326 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7621 2134.7 10.2 scans 75% 69 m/z (192 138) 0.014% 1.81% 6416 0.4 1119 4076630 201568605 191069391 2-1 20: 69 93 81 41 133 67 79 120 91 95 107 119 55 68 161 121 77 105 53 109 0.968 41.75 737.2 63 90 89 87 272 0.0 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0537 2151.0 8.1 scans 81% 74 m/z 0.066% 0.290% 6465 0.9 516 877983 32326941 31161715 1-1 20: 74 87 143 43 55 75 227 41 270 57 69 129 239 59 83 97 101 185 88 171 0.947 42.01 749.0 79 98 94 98 272 12.8 0.000 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3406 2167.1 7.7 scans 71% 73 m/z 0.20% 0.101% 6514 1.1 306 278926 11331165 10511209 2-3 20: 73 147 281 221 355 429 503 207 341 282 430 356 283 504 222 74 148 415 431 295 0.956 42.37 758.1 75 94 93 98 503 52.5 2.947 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 42.6771 2186.0 9.0 scans 12% 134 m/z (177) 3.1% 0.0134% 6571 1.0 98 18697 1491914 1263556 4-1 8: 134 133 243 175 190 231 272 201 0.646 42.99 -17.6 69 76 47 74 272 11.2 1.287 -0.313 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1248 ? Diterpene 42.9min RI2199 42.9510 2201.4 9.8 scans 17% 148 m/z (69) 2.5% 0.0103% 6618 0.9 84 23003 1149352 1099238 2-0 4: 148 133 190 218 0.896 42.90 2.7 72 78 65 77 272 4.2 0.000 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0425 2206.5 8.2 scans 52% 82 m/z (119) 0.050% 0.230% 6633 1.0 432 1144014 25620484 23826268 2-3 12: 82 81 95 43 83 292 96 94 137 53 138 249 0.937 43.03 784.4 67 92 86 90 292 58.8 1.848 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 43.2060 2215.7 10.4 scans 10% TIC 2.8% 0.00440% 6661 0.9 73 20466 489918 442040 1-1 0.232 43.15 2.9 63 70 10 65 272 15.1 0.000 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1252 Contamination 43.31min 43.3164 2221.9 8.5 scans 35% 263 m/z (177) 1.0% 0.0371% 6679 1.8 158 57067 4131292 3502891 3-4 5: 263 278 264 185 219 0.578 43.31 0.5 83 92 68 92 278 31.0 3.854 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5856 2237.0 8.6 scans 33% 215 m/z (204) 4.3% 0.0201% 6725 0.9 124 13328 2241404 1991131 0-7 6: 215 257 216 201 272 160 0.679 43.55 1.8 82 93 75 91 272 13.5 1.184 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N419_R~1-N1158 ?? Manool oxide 43.8288 2250.7 8.6 scans 14% 257 m/z (272) 6.1% 0.00626% 6766 1.0 70 9451 698014 646927 3-2 3: 257 192 275 0.761 43.83 813.1 65 90 53 89 275 25.0 12.633 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.2887 2277.0 7.3 scans 41% 221 m/z (276) 0.52% 0.0436% 6844 1.1 200 109620 4859574 4590687 1-2 19: 221 73 147 295 281 207 222 369 296 223 355 370 282 74 283 267 341 208 356 0.882 40.63 896.9 73 95 95 98 369 35.2 3.111 3.656 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1234 ?? Thunbergol 44.3253 2279.1 9.1 scans 66% 43 m/z (221) 0.43% 0.0938% 6850 0.9 265 134807 10450930 9805231 1-1 20: 43 109 95 93 79 107 94 81 135 69 162 134 220 55 41 111 123 82 177 67 0.973 44.90 -33.1 62 67 82 70 272 2.2 0.000 -0.576 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1236 ?? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.9499 2315.0 11.1 scans 34% 191 m/z (258) 1.2% 0.0397% 6956 1.1 160 46394 4420176 4169954 1-1 9: 191 137 192 217 163 124 236 206 272 0.630 44.55 22.8 68 77 49 79 272 4.0 0.000 0.397 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0904 2323.1 7.0 scans 16% 191 m/z 3.0% 0.00306% 6979 0.9 75 18779 341381 341381 0-0 17: 191 123 125 82 273 192 137 81 79 67 124 93 138 91 149 41 206 0.453 45.56 -27.3 74 81 37 78 290 3.4 0.000 -0.473 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1156 ? Sclareolide 45.6294 2354.1 12.5 scans 62% TIC 0.10% 0.754% 7071 0.4 650 564902 83957227 79226428 1-2 0.710 45.58 882.1 70 95 74 94 290 5.8 0.000 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7840 2363.0 8.4 scans 53% 73 m/z (177) 0.39% 0.0677% 7097 1.3 230 145190 7543428 6899012 2-3 20: 73 355 147 221 281 357 207 429 222 282 283 74 295 415 148 401 503 358 267 223 0.921 45.78 0.4 96 99 91 98 503 21.7 0.889 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1282 2382.8 8.7 scans 70% TIC 0.22% 0.170% 7156 1.5 391 257762 0.193% 18946225 18368338 21488029 1-0 0.862 46.13 -0.4 90 96 89 98 292 28.2 0.518 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1150 ? UNK 46.46min 46.4452 2401.1 10.1 scans 69% 191 m/z (119) 0.031% 0.821% 7209 0.7 730 1846330 91514201 83663889 5-7 11: 191 137 69 109 192 95 217 235 123 193 125 0.939 46.47 911.8 70 90 92 98 235 117.5 2.590 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.6920 2415.3 8.9 scans 50% 177 m/z (153) 1.0% 0.0530% 7251 0.8 198 57393 5907851 5419985 2-1 20: 177 69 43 95 81 109 93 137 91 121 77 107 119 178 113 41 79 83 82 55 0.931 46.49 11.3 73 77 84 82 290 3.6 0.000 0.197 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7758 2420.1 8.1 scans 25% 74 m/z (153) 1.3% 0.0154% 7265 0.9 110 42831 1725047 1526506 8-10 14: 74 87 298 75 143 255 199 59 101 88 185 267 256 241 0.887 46.76 925.0 70 96 87 95 298 22.4 4.114 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1152 UNK 47.18min 47.1690 2442.8 10.4 scans 88% 109 m/z 0.053% 0.714% 7332 0.6 709 1077219 79524991 74306250 1-2 20: 109 43 95 81 123 93 137 235 55 41 127 121 111 107 79 67 91 217 71 110 0.978 47.18 938.4 80 100 98 100 278 70.0 0.974 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2941 2450.0 8.0 scans 46% 134 m/z (290) 0.93% 0.0377% 7353 0.9 182 62207 4198609 4049060 1-1 17: 134 119 84 81 191 178 79 135 95 93 148 257 272 192 121 107 105 0.956 47.36 -3.5 94 97 92 97 272 19.5 1.150 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5190 2462.9 8.4 scans 48% 138 m/z 0.35% 0.0631% 7391 1.1 234 163184 7032740 6424228 1-4 18: 138 120 121 57 43 139 55 41 161 71 70 111 302 122 56 92 65 83 0.663 47.50 950.1 74 99 85 98 168 29.5 1.598 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6837 2472.4 7.5 scans 35% 221 m/z 1.6% 0.0116% 7419 1.0 106 35788 1301656 1175568 1-6 18: 221 73 147 295 369 281 207 222 370 223 401 371 355 148 282 297 341 283 0.828 44.32 1025.1 71 96 84 97 369 23.9 5.111 3.364 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1226 ?? Sclareol 47.42min 47.9529 2487.9 10.4 scans 55% 177 m/z (236) 1.0% 0.0531% 7464 1.3 184 52916 0.0672% 5920693 5464383 7481842 4-0 14: 177 53 43 71 121 113 195 125 99 176 124 98 77 272 0.845 47.42 30.8 67 75 81 77 290 1.9 0.000 0.535 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN TAB_REP1-N1222 ?? Sclareol 47.9min 47.9529 2487.9 10.4 scans 57% 177 m/z (196) 1.3% 0.0552% 7464 1.3 188 43601 0.0699% 6153289 5679053 7782452 4-0 14: 177 53 43 71 121 113 195 125 99 176 124 98 77 272 0.736 47.95 0.3 65 78 53 75 272 13.1 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN N407_R~1-N1154 UNK 48.48min 48.4795 2518.2 9.2 scans 92% 148 m/z 0.027% 0.713% 7554 0.7 747 2093450 79385495 75029109 2-2 20: 148 95 149 133 147 69 109 108 43 161 41 286 162 135 96 81 55 67 178 71 0.980 48.48 980.0 81 100 98 100 286 93.6 1.568 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9246 2543.8 8.3 scans 72% 73 m/z (296) 0.65% 0.0409% 7629 1.0 181 88385 4553804 4278696 2-5 20: 73 147 429 221 281 355 430 207 357 295 222 341 74 148 282 223 401 356 283 267 0.908 48.95 993.4 70 90 90 98 429 49.4 7.442 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8450 2711.8 8.2 scans 64% 73 m/z 1.0% 0.0213% 8124 1.3 135 56679 2374332 2205731 2-5 20: 73 147 221 355 429 281 222 341 356 504 503 207 430 295 357 431 343 148 282 74 0.834 51.86 1080.9 76 99 85 98 503 20.4 2.303 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1030 Pentacosane 54.6650 2874.1 8.3 scans 83% 57 m/z (73) 0.44% 0.0652% 8602 1.1 227 130609 7267269 6818387 2-4 20: 57 71 85 43 55 99 41 69 113 83 70 97 56 127 67 84 141 111 98 112 0.964 54.79 -7.2 92 96 94 94 352 15.1 0.441 -0.125 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1032 ? Hexacosane 56.9773 3007.1 11.3 scans 38% TIC 4.8% 0.00311% 8993 1.2 52 11929 346907 340604 0-4 0.617 57.13 -9.1 71 77 53 71 366 4.6 0.000 -0.158 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP2.FIN HCMIX_~1-N1034 Heptacosane 59.7896 3168.9 12.4 scans 66% 57 m/z 1.6% 0.0206% 9470 1.1 109 36026 2302716 2063991 3-4 20: 57 71 85 43 111 55 69 70 113 41 83 140 97 253 56 84 168 169 86 154 0.798 59.97 -10.2 88 92 74 87 380 7.3 0.000 -0.177 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1552 772.4 5.6 scans 85% 77 m/z (73) 0.060% 0.110% 45 3.4 280 854167 9512719 8281395 1-5 14: 77 45 78 79 62 76 59 63 75 61 47 46 92 65 0.999 4.37 18.4 99 100 99 100 77 238.5 72.674 -0.216 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2101 825.9 10.0 scans 44% 57 m/z (44) 1.0% 0.0144% 394 0.4 78 47575 1244206 965287 1-7 11: 57 41 39 59 58 102 38 69 74 50 53 0.882 6.03 -135.7 70 97 86 96 102 9.9 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6866 864.4 8.5 scans 76% 69 m/z 1.4% 0.0286% 644 1.8 141 36547 0.0385% 2473261 2322400 3319198 1-0 20: 69 55 41 83 39 42 57 98 70 97 43 53 58 79 51 40 84 54 68 81 0.951 7.71 9.1 100 100 95 99 98 30.2 4.601 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.4062 987.2 >10 scans 31% 281 m/z 1.8% 0.00567% 1443 10.1 58 27618 489507 470302 0-2 5: 281 249 251 133 284 0.658 12.22 40.9 90 98 78 98 281 42.9 53.761 0.186 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6837 994.5 8.8 scans 32% 81 m/z (55) 2.6% 0.00592% 1490 1.8 56 19526 511090 458360 2-4 7: 81 82 89 110 87 50 109 0.856 13.22 30.9 81 88 76 96 110 16.8 9.068 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1017 1032.7 10.2 scans 88% 79 m/z 0.10% 0.325% 1730 1.3 401 515499 28026335 25081140 2-4 20: 79 108 107 77 51 91 78 50 80 90 89 109 65 39 63 53 52 74 62 42 0.960 14.11 53.7 92 100 99 100 108 177.2 19.543 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4488 1042.1 9.0 scans 52% 91 m/z 0.50% 0.0230% 1789 1.7 110 101727 1986937 1745121 4-4 10: 91 92 120 65 63 89 64 62 90 122 0.881 14.44 57.3 89 99 85 98 120 38.4 12.209 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1772 1061.8 10.8 scans 74% 105 m/z 0.15% 0.139% 1912 2.0 243 325356 12055540 10965342 2-1 20: 105 77 123 51 46 106 50 78 75 124 74 76 79 73 64 95 65 63 62 49 0.941 15.17 64.4 89 99 95 99 123 88.2 13.158 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1944 1062.3 9.5 scans 20% 94 m/z 0.59% 0.0281% 1916 1.5 121 86806 2423159 2202900 4-4 11: 94 109 66 39 38 53 40 67 37 93 64 0.836 16.11 -207.9 77 98 81 97 109 69.6 33.225 -0.915 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN 98-86-2 ? Acetophenone 15.2617 1064.1 >9 scans 61% 105 m/z 0.52% 0.0304% 1927 3.2 133 97937 2622375 2199372 1-3 13: 105 77 121 106 51 63 81 78 52 61 74 50 75 0.929 15.29 -181.6 77 97 93 98 120 38.5 8.389 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4329 1068.7 8.4 scans 42% 95 m/z (93) 1.4% 0.0143% 1956 1.3 93 36635 1237528 1155151 1-1 10: 95 81 124 43 109 51 123 96 82 66 0.681 15.43 67.0 81 96 88 97 124 28.6 9.349 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 15.8709 1080.6 10.6 scans 22% 208 m/z (193) 4.1% 0.00273% 2030 1.3 37 12534 235555 228029 0-1 5: 208 207 209 191 136 0.760 6.53 103.8 70 96 75 95 207 28.9 61.378 9.343 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1002 ?? Undecane 16.6047 1100.7 >11 scans 40% TIC 3.6% 0.00827% 2154 1.1 79 14263 713307 679929 1-0 0.551 16.59 0.7 60 62 39 78 156 6.9 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7788 1108.1 8.3 scans 71% 57 m/z (268) 0.71% 0.0658% 2184 1.1 204 71850 0.0737% 5677588 5308792 6353894 0-2 18: 57 41 69 43 56 98 55 70 44 82 68 95 96 67 39 42 99 54 0.933 16.82 85.7 74 95 93 94 124 4.2 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.0515 1119.6 9.3 scans 86% 91 m/z 0.10% 0.204% 2230 1.3 340 502689 17592168 16825710 1-4 20: 91 93 92 77 122 65 121 43 78 136 51 39 63 94 89 123 50 103 62 52 0.977 17.05 93.6 60 77 76 82 122 72.8 4.583 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0793 1163.0 11.1 scans 27% 355 m/z 1.2% 0.0196% 2404 1.4 100 42072 1692517 1588039 2-3 13: 355 267 154 268 162 269 339 270 249 253 323 205 265 0.691 18.13 -168.7 78 98 55 98 355 52.9 28.212 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.1543 1166.2 10.0 scans 67% 144 m/z (73) 0.37% 0.0829% 2417 0.9 208 138100 7148441 6713031 2-4 17: 144 43 101 44 72 45 55 145 115 58 146 102 54 53 37 126 116 0.963 18.22 122.7 75 98 90 97 144 95.9 21.226 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN M4942-N1002 ? Pyranone 18.1543 1166.2 10.0 scans 64% 144 m/z 0.38% 0.0712% 2417 0.9 204 134421 6144557 5770293 2-4 17: 144 43 101 44 72 45 55 145 115 58 146 102 54 53 37 126 116 0.916 20.04 -224.3 77 97 84 96 144 94.4 21.403 -1.888 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1266 ?? Octanoic acid 18.3851 1176.0 12.0 scans 35% 60 m/z 2.2% 0.0123% 2456 0.3 96 22853 1064792 1042344 1-0 20: 60 69 85 59 101 43 73 41 57 97 87 88 115 84 144 45 42 82 74 56 0.705 22.03 -133.1 69 95 72 94 175 0.0 0.000 -3.649 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1004 ? Octanoic acid 18.3851 1176.0 12.0 scans 50% 60 m/z (127) 2.1% 0.0278% 2456 0.3 114 24174 2402680 2352027 1-0 20: 60 69 85 59 101 43 73 41 57 97 87 88 115 84 144 45 42 82 74 56 0.924 19.87 107.7 71 94 88 98 144 2.9 0.000 -1.486 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8101 1193.9 10.9 scans 51% 69 m/z (141) 4.5% 0.0133% 2528 1.1 84 11361 1150474 1070035 2-2 14: 69 156 55 56 42 133 43 93 98 85 137 122 51 80 0.907 18.83 141.2 64 85 87 98 122 5.9 0.504 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 19.1649 1208.9 14.5 scans 35% 105 m/z 1.4% 0.0159% 2588 0.6 82 34413 1370822 1290155 1-3 8: 105 122 77 51 74 123 111 65 0.853 20.03 138.2 71 93 84 93 122 45.0 29.786 -0.864 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7529 1233.7 >11 scans 78% TIC 0.29% 0.0533% 2688 0.8 186 177294 0.0934% 4598031 4391465 8052289 2-0 0.973 13.76 34.2 76 79 70 81 134 64.1 11.932 5.996 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8114 1236.2 8.8 scans 54% 57 m/z 0.53% 0.0345% 2698 1.3 152 95719 2980738 2833876 1-2 17: 57 45 75 41 56 85 100 101 59 72 60 58 73 132 44 61 88 0.896 19.81 168.7 76 98 90 97 144 2.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1004 ? Dodecane 20.3049 1257.1 9.5 scans 12% 57 m/z (107) 6.5% 0.00295% 2781 1.9 40 7841 254604 230739 2-1 6: 57 56 170 113 112 130 0.714 20.32 -0.6 71 82 70 80 170 5.9 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1034 ? Decanal 20.5245 1263.8 8.5 scans 74% 57 m/z (110) 1.2% 0.0491% 2818 1.0 170 42397 4239444 3792343 5-2 19: 57 41 55 43 70 82 71 68 44 67 56 83 112 81 69 96 84 39 42 0.960 20.57 -143.2 73 95 95 98 138 9.6 0.322 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5257 1263.9 8.7 scans 73% TIC 1.1% 0.0438% 2819 0.8 169 44269 3781055 3356883 3-1 0.930 20.56 185.2 77 100 96 99 128 15.2 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.2028 1284.2 11.5 scans 2.1% 281 m/z (97) 2.6% 0.00798% 2933 2.6 58 19464 688265 638651 4-1 10: 281 282 193 249 68 284 207 251 208 112 0.632 12.25 131.1 65 92 49 92 281 36.0 38.546 8.952 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8905 1334.8 9.6 scans 9.6% 109 m/z 1.4% 0.0114% 3220 1.1 81 36312 988971 860971 3-5 3: 109 82 86 0.366 22.91 221.2 60 90 66 88 127 3.6 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.0493 1339.6 >20 scans 80% 73 m/z (96 119) 0.29% 0.246% 3246 0.2 265 176091 21209437 18374091 2-13 20: 73 60 57 115 55 129 41 43 69 98 87 45 61 39 101 74 70 56 42 83 0.985 25.35 190.4 70 93 92 97 162 0.0 0.000 -2.305 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.0493 1339.6 >20 scans 81% 73 m/z 0.29% 0.221% 3246 0.2 266 172047 19111276 16556419 2-13 20: 73 60 57 115 55 129 41 43 69 98 87 45 61 39 101 74 70 56 42 83 0.976 22.70 -135.7 77 95 94 98 158 17.6 0.438 0.353 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0913 1371.7 7.0 scans 54% 73 m/z 0.47% 0.0389% 3422 1.0 174 108851 3361697 3008519 2-6 20: 73 341 429 342 325 147 343 430 326 74 207 344 327 75 97 311 251 432 148 45 0.897 24.17 -152.1 79 99 88 99 429 54.1 9.660 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6774 1391.2 8.4 scans 72% 43 m/z 0.67% 0.0407% 3522 0.9 169 76613 3513654 3186130 2-7 20: 43 83 69 41 55 82 142 113 58 85 56 111 71 70 39 57 93 127 67 68 0.933 24.70 251.6 68 86 83 97 170 5.5 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4006 1415.4 8.9 scans 93% 84 m/z 0.030% 0.551% 3644 1.1 582 1699987 47518691 45265942 1-5 20: 84 133 162 161 42 119 92 118 85 82 130 134 78 65 117 51 39 63 55 163 0.985 25.89 258.4 77 96 92 96 162 150.2 6.656 -0.491 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0093 1469.1 8.2 scans 88% 121 m/z 0.23% 0.250% 3917 0.9 417 216884 21622525 20598670 1-3 20: 121 136 43 69 93 161 109 95 41 79 81 176 107 67 123 91 77 55 105 179 0.969 27.02 295.7 80 100 98 99 208 5.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1108 1472.5 6.7 scans 18% 221 m/z 5.3% 0.00278% 3934 0.9 48 9572 239986 214500 2-3 13: 221 147 73 355 356 223 267 281 283 443 222 178 207 0.687 27.12 297.6 68 92 68 89 355 10.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1651 1474.3 7.6 scans 66% 57 m/z (221) 0.87% 0.0258% 3943 1.3 131 59015 0.0343% 2227595 2041163 2957104 2-0 19: 57 71 85 43 41 198 56 55 99 70 84 113 141 98 42 127 112 126 169 0.948 27.21 -1.5 94 98 93 97 198 17.4 1.765 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1114 ? Caryophyllene 27.8404 1499.5 >7 scans 53% TIC 2.3% 0.0177% 4058 0.4 132 22142 1526819 1441275 2-0 0.751 27.84 314.1 71 96 74 95 204 10.2 0.592 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1032 Myosmine 27.9431 1503.4 11.8 scans 93% 118 m/z 0.030% 0.969% 4075 1.0 677 1667168 83622877 80742411 1-3 20: 118 146 145 105 78 119 51 91 104 117 41 65 63 77 39 42 64 50 76 89 0.994 27.93 316.7 81 100 99 100 146 290.1 18.343 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3830 1519.9 9.0 scans 22% 171 m/z (91) 2.5% 0.00540% 4149 1.2 56 20203 465644 425007 3-2 6: 171 80 167 104 172 170 0.809 28.39 326.5 70 97 81 95 171 26.2 22.004 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6580 1530.3 7.8 scans 92% TIC 0.066% 0.339% 4196 0.9 493 770528 29268673 27258150 3-8 0.988 28.67 332.9 80 99 98 99 194 31.2 0.401 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9083 1539.7 10.5 scans 15% TIC 6.8% 0.00467% 4239 1.6 57 7537 0.00516% 403128 349033 444859 2-2 0.260 45.98 60.0 60 79 23 76 204 17.1 0.000 -17.067 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0848 1546.3 7.8 scans 64% 71 m/z (123) 0.74% 0.0425% 4269 1.5 162 69620 0.0501% 3664547 3438417 4319268 1-0 20: 71 57 43 85 70 141 41 56 99 113 55 179 112 84 183 42 97 140 127 58 0.971 29.10 342.4 68 91 92 90 227 2.3 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5311 1563.1 8.1 scans 59% TIC 0.44% 0.0487% 4344 1.1 200 115065 0.0537% 4201527 4087630 4629635 2-1 0.792 29.61 -150.0 77 97 83 98 503 32.4 2.624 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6439 1567.3 8.3 scans 74% 177 m/z (60) 0.15% 0.155% 4363 1.0 316 340882 13426476 12939802 2-1 20: 177 158 157 43 178 135 91 159 77 105 93 130 121 149 79 107 133 95 122 192 0.899 29.68 354.8 74 96 82 96 192 33.3 1.106 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7448 1571.1 7.9 scans 44% TIC 0.40% 0.0118% 4380 1.2 125 126554 1017956 959832 1-0 0.817 29.77 357.1 75 98 84 97 193 10.7 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8322 1574.4 8.3 scans 60% 105 m/z (181) 0.68% 0.0442% 4395 1.0 167 75714 3813199 3487938 1-2 18: 105 91 161 93 121 107 133 204 119 79 94 106 147 80 77 189 148 115 0.962 29.85 359.3 77 99 97 99 204 25.6 2.349 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 29.9343 1578.3 8.9 scans 44% 71 m/z (210) 0.90% 0.0337% 4412 1.0 132 57253 2907031 2678282 1-2 16: 71 85 57 99 155 113 127 84 70 169 56 197 112 100 156 137 0.874 29.94 361.9 67 94 87 93 254 4.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.3169 1592.6 7.8 scans 31% 57 m/z (191) 1.9% 0.0131% 4478 1.3 91 27021 1137151 997415 1-1 15: 57 71 43 85 139 212 99 113 112 70 141 86 42 58 126 0.853 30.38 -2.3 79 90 88 89 212 11.9 1.702 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5164 1600.8 7.9 scans 50% 191 m/z (71) 0.41% 0.0268% 4511 1.1 134 123423 2318459 2180144 2-2 12: 191 192 206 163 74 60 115 207 176 73 88 161 0.919 30.50 376.0 77 99 90 99 206 36.0 7.240 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1894 1629.0 9.9 scans 73% TIC 0.28% 0.0915% 4625 0.9 246 180173 7889786 7338204 2-0 0.902 31.18 394.0 78 99 93 99 180 53.9 4.781 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3169 1634.4 9.4 scans 89% TIC 0.14% 0.649% 4647 0.8 623 361105 56035247 53183083 2-2 0.970 31.35 396.9 80 100 99 100 194 131.3 4.447 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1192 ? 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5070 1642.4 9.5 scans 43% 127 m/z (79) 1.3% 0.0376% 4679 1.0 144 38399 3242593 2926402 3-0 10: 127 85 55 82 128 83 74 81 58 84 0.722 31.52 -0.3 73 80 55 83 166 29.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8806 1658.1 9.2 scans 84% TIC 0.31% 0.247% 4742 1.1 399 163157 21322374 20090468 2-1 0.961 31.90 412.3 79 99 96 99 220 29.7 0.554 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N406_R~1-N1102 ?? UNK 31.99min 32.0022 1663.2 8.6 scans 48% 127 m/z (177) 0.096% 0.157% 4763 1.0 305 536181 13545124 12335410 1-5 16: 127 75 85 129 74 128 59 45 101 100 87 169 143 33 130 114 0.962 31.99 416.0 69 91 80 91 129 77.6 6.456 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0861 1666.7 6.8 scans 1.5% 221 m/z 1.8% 0.00635% 4777 0.9 71 27564 547657 491363 5-1 16: 221 207 295 355 296 342 222 281 223 356 325 297 341 343 279 326 0.663 32.08 0.3 90 94 62 92 355 15.1 4.548 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1770 1670.5 9.0 scans 70% 109 m/z (218) 0.10% 0.514% 4792 0.9 548 473661 44389994 41004385 1-4 20: 109 43 163 191 206 69 107 91 81 137 93 67 121 41 79 77 135 149 55 105 0.773 32.20 420.2 77 99 82 98 206 94.7 2.985 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1122 Longipinocarvone 32.5660 1686.9 8.6 scans 89% 134 m/z 0.21% 0.373% 4858 0.8 497 241950 32161427 30263336 2-2 20: 134 69 91 79 135 41 93 133 107 77 105 92 175 67 119 53 109 39 95 121 0.986 32.60 430.7 80 99 98 100 218 22.0 0.196 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8417 1698.5 8.5 scans 77% 79 m/z (149) 0.50% 0.173% 4905 1.0 337 101567 0.199% 14965353 14395950 17156376 1-1 20: 79 93 91 41 95 109 43 69 82 107 96 67 77 121 55 106 81 110 105 123 0.985 32.87 438.2 77 98 97 98 206 34.6 1.054 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9344 1702.4 7.7 scans 28% 71 m/z 0.47% 0.0141% 4920 0.9 110 108127 1220265 1146548 0-1 18: 71 43 123 111 159 138 243 244 173 56 219 143 83 235 160 89 196 127 0.685 32.93 0.1 90 99 89 97 243 18.8 2.916 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1212 ? Hexadecene 33.0838 1708.6 8.9 scans 25% 57 m/z (69) 4.7% 0.0133% 4946 0.5 80 10819 1152893 1047727 0-3 14: 57 97 83 85 70 111 55 56 84 98 99 138 42 196 0.767 33.09 -0.1 70 82 70 87 224 5.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3110 1718.2 7.5 scans 59% 57 m/z (203) 0.51% 0.0487% 4984 0.9 180 100784 0.0575% 4205450 3802030 4957244 0-7 18: 57 71 85 43 41 55 70 99 56 226 113 42 84 112 98 155 141 140 0.960 33.37 -2.6 92 98 94 97 226 21.0 1.369 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N406_R~1-N1104 ?? UNK 33.53min 33.5389 1723.2 8.6 scans 48% 75 m/z (179) 0.78% 0.0449% 5023 1.3 159 66085 3876834 3392149 3-8 8: 75 127 74 159 126 128 166 59 0.962 33.53 453.0 65 88 81 88 166 24.8 2.436 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8966 1728.3 6.8 scans 15% 71 m/z 5.7% 0.00158% 5083 1.0 48 9012 136818 135439 1-0 17: 71 57 85 43 168 141 70 197 167 196 99 98 140 41 84 42 86 0.719 33.90 -0.0 78 82 60 79 197 10.9 5.205 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1132 Longifolenaldehyde 34.1215 1731.5 9.5 scans 93% 109 m/z 0.046% 1.18% 5122 0.6 846 1109228 102221123 96616435 2-2 20: 109 95 91 107 105 119 69 93 81 220 55 137 77 79 97 123 192 67 189 136 0.994 34.14 452.3 81 100 99 100 220 122.7 2.102 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4238 1735.8 7.5 scans 36% 73 m/z 0.13% 0.189% 5173 1.1 368 388062 16298705 15409304 2-4 20: 73 355 221 147 281 356 401 357 282 402 222 327 415 74 267 403 283 207 358 385 0.962 34.39 452.8 78 98 90 98 415 44.6 1.471 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4551 1736.3 8.5 scans 75% 136 m/z (73) 0.076% 0.591% 5178 0.9 609 673075 50972298 48104711 1-1 20: 136 91 79 69 41 93 105 107 109 67 77 135 55 95 117 81 119 53 39 92 0.985 34.50 451.7 72 94 96 97 218 0.0 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5767 1738.0 10.3 scans 87% TIC 0.097% 0.853% 5199 0.6 695 529102 73570268 69812283 1-1 0.959 34.61 451.7 77 96 96 100 6 0.0 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7261 1740.2 9.5 scans 65% 91 m/z (57) 0.25% 0.0871% 5224 0.9 221 199842 7509611 6975985 2-3 20: 91 155 199 90 65 184 120 92 89 44 106 137 63 77 39 64 200 78 51 134 0.974 34.79 451.2 76 97 96 99 199 60.8 7.534 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9026 1742.7 8.5 scans 34% 68 m/z (109 206) 2.6% 0.0185% 5253 1.7 103 19793 1602930 1448841 2-3 2: 68 224 0.932 34.90 -0.0 81 87 82 91 224 14.0 1.858 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1206 ?? Spathulenol 35.3612 1749.2 9.2 scans 74% TIC 0.70% 0.184% 5332 1.2 330 72697 15942266 14180541 3-3 0.876 32.67 57.7 69 80 78 82 220 12.3 0.139 2.686 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.5962 1752.6 >5 scans 73% 140 m/z (202) 0.23% 0.270% 5372 0.0 416 224073 1.33% 23355211 21141787 114663214 7-0 3: 140 225 218 0.956 35.70 449.9 76 98 95 99 224 25.3 0.371 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5909 1766.8 6.8 scans 15% 221 m/z 2.2% 0.00894% 5540 0.9 88 23396 771546 745363 1-1 13: 221 73 147 295 206 327 281 282 369 297 223 370 148 0.505 36.58 450.3 64 91 57 93 369 14.8 2.832 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6859 1768.2 8.7 scans 79% 109 m/z 0.15% 0.235% 5556 0.8 404 340630 20329644 19334024 9-1 20: 109 220 43 135 123 124 91 81 205 97 107 77 221 121 149 41 69 79 93 137 0.965 36.70 449.7 80 100 96 99 220 134.4 11.078 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2155 1775.8 8.1 scans 70% 209 m/z 0.14% 0.127% 5646 1.1 299 351987 11010198 10117212 2-2 20: 209 224 181 165 210 167 178 105 166 179 103 225 91 194 77 152 193 115 97 119 0.904 37.20 449.5 79 99 93 99 224 95.3 10.184 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1016 ?? Octadecane 37.3052 1777.0 7.8 scans 21% 85 m/z (237) 3.1% 0.0110% 5661 1.7 85 16219 950243 823354 1-1 20: 85 71 57 43 99 113 169 127 141 211 210 126 100 154 114 86 70 252 125 219 0.629 38.91 -23.0 61 72 75 76 254 1.9 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9729 1786.6 9.3 scans 85% 109 m/z 0.19% 0.479% 5774 0.7 536 263427 41314326 37572787 4-2 20: 109 177 95 43 97 84 69 81 123 41 71 107 238 55 87 121 83 93 79 94 0.967 37.98 448.0 77 96 93 100 238 74.8 1.950 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0650 1787.9 9.1 scans 34% 71 m/z (122) 1.6% 0.0179% 5790 1.2 101 30874 1544117 1381275 1-2 17: 71 85 225 43 56 41 226 99 113 127 141 83 70 154 169 148 196 0.908 38.06 448.2 69 96 88 94 225 21.3 4.403 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.6576 1796.4 7.9 scans 73% 73 m/z 0.19% 0.127% 5890 1.0 295 270912 10950842 10263257 2-4 20: 73 429 147 221 355 430 281 341 431 207 356 401 222 74 148 342 295 282 325 343 0.951 38.59 448.3 80 99 93 99 429 88.0 8.874 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1018 ? Neophytadiene 39.9027 1923.1 >12 scans 64% 222 m/z 0.024% 2.38% 6101 0.2 1319 2146989 205372155 190871066 1-0 7: 222 250 237 265 209 211 147 0.994 39.94 554.0 79 99 99 99 278 67.3 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4623 1992.5 9.2 scans 14% 149 m/z (93) 0.42% 0.0189% 6196 1.2 105 120296 1632475 1531757 2-1 8: 149 223 150 104 76 224 167 50 0.918 40.31 617.6 70 95 76 94 223 24.4 5.413 0.157 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N406_R~1-N1110 Phytol 40.5077 1998.1 7.1 scans 68% 81 m/z (224) 0.31% 0.194% 6203 1.2 350 164148 0.220% 16753665 14318631 18966847 0-4 18: 81 82 95 68 123 55 69 83 67 57 79 96 41 109 97 124 110 278 0.950 40.66 -19.1 92 95 92 94 278 37.5 1.149 -0.154 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6128 2011.1 7.4 scans 12% 221 m/z (148) 2.9% 0.00734% 6221 1.1 72 17370 632956 563758 3-2 17: 221 73 147 295 222 281 207 369 282 296 238 223 279 265 355 415 401 0.835 40.63 631.0 69 97 82 96 369 11.9 2.767 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1254 Phytol 40.9198 2049.2 7.9 scans 80% 81 m/z (195) 0.35% 0.180% 6273 1.2 343 144122 15574974 14453266 2-1 20: 81 82 95 68 123 57 43 69 79 83 71 67 55 41 96 97 124 278 109 111 0.989 40.87 6.5 97 99 98 99 278 44.6 1.692 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1148 ? UNK 40.98min 41.0314 2063.0 9.8 scans 55% 245 m/z 0.16% 0.0979% 6292 1.0 248 310563 8444217 7954746 2-1 18: 245 122 246 135 43 91 123 105 131 79 161 95 121 77 145 129 136 107 0.824 40.98 677.5 77 98 82 98 260 34.6 1.951 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1144 ? Sclareoloxide 41.1772 2081.1 11.0 scans 77% 109 m/z (143) 0.32% 0.321% 6317 1.4 380 156969 27694041 26215176 1-1 20: 109 191 81 262 95 43 123 177 121 229 107 71 137 67 149 79 136 91 135 55 0.978 41.13 693.3 77 98 93 98 262 77.9 4.209 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3667 2104.6 12.0 scans 71% 191 m/z 0.065% 0.348% 6349 1.1 416 782290 30069101 28509150 4-1 19: 191 80 119 121 192 43 135 105 91 107 95 189 93 109 136 55 149 77 133 0.908 41.29 714.2 79 98 88 98 229 35.2 0.714 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4901 2119.4 8.2 scans 79% 205 m/z (278) 0.39% 0.169% 6370 0.8 331 131034 14595990 13688028 1-2 20: 205 217 57 175 189 220 177 232 55 91 41 261 203 206 109 161 77 115 233 176 0.973 41.49 -77.2 84 100 97 99 276 22.5 0.461 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7226 2132.5 8.9 scans 91% TIC 0.018% 1.71% 6409 0.5 1018 2840579 147957322 137350796 4-1 0.974 41.75 735.0 78 98 97 97 272 0.0 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0337 2149.9 7.9 scans 86% TIC 0.080% 0.264% 6462 0.9 450 642976 22836527 21735851 1-1 0.977 42.01 747.9 79 98 97 98 272 10.8 0.000 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3578 2168.1 7.3 scans 43% 73 m/z 0.92% 0.0206% 6517 1.1 126 55682 1779937 1658206 1-4 20: 73 147 281 221 355 341 429 503 207 282 431 430 357 295 504 283 415 356 505 148 0.847 42.37 759.1 73 96 84 97 503 22.3 3.119 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9305 2200.3 9.1 scans 25% 148 m/z (221) 1.8% 0.0151% 6614 0.9 93 28107 1310284 1157346 2-1 3: 148 133 190 0.827 42.90 1.6 84 91 71 88 272 6.3 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0225 2205.4 8.4 scans 61% 82 m/z (246) 0.060% 0.262% 6630 1.1 400 846697 22660843 20631598 2-3 18: 82 81 95 43 83 41 109 57 69 292 96 94 108 67 53 137 71 147 0.923 43.03 783.3 75 99 92 97 292 51.3 1.641 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1908 2214.9 9.3 scans 48% 57 m/z (204) 3.4% 0.0335% 6658 0.9 140 14899 2892385 2691728 1-1 20: 57 187 69 272 134 80 55 41 119 133 105 91 93 71 120 43 94 81 79 111 0.808 43.15 2.1 84 90 80 89 272 22.1 2.491 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5562 2235.4 15.6 scans 42% 136 m/z (161) 3.4% 0.0397% 6720 0.8 125 15012 3429110 3119088 1-2 20: 136 91 95 93 117 135 97 80 149 69 105 106 115 109 260 133 203 113 137 92 0.816 43.55 0.2 82 92 79 91 272 15.0 1.437 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1234 ?? Thunbergol 44.3018 2277.7 9.1 scans 64% 43 m/z (136) 0.62% 0.0705% 6846 1.1 202 83003 6086340 5700598 2-1 19: 43 109 95 295 221 93 81 147 69 107 121 135 73 55 41 149 91 152 67 0.903 44.90 -34.5 60 69 80 71 272 0.0 0.000 -0.599 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1236 ? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.7841 2305.5 10.0 scans 24% 191 m/z (190) 2.7% 0.0101% 6928 0.8 73 18514 875633 800747 2-3 4: 191 80 136 187 0.668 44.55 13.3 73 84 67 84 272 4.4 0.000 0.231 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0840 2322.8 >10 scans 11% 82 m/z 5.2% 0.00197% 6978 1.2 50 9785 170119 170119 0-0 18: 82 123 192 191 95 68 96 136 124 177 121 149 105 97 135 288 131 164 0.366 45.56 -27.6 72 78 28 75 290 2.0 0.000 -0.479 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1156 ? Sclareolide 45.5917 2352.0 10.9 scans 73% 123 m/z (192) 0.16% 0.606% 7065 0.5 529 319057 52296922 48675088 2-2 18: 123 125 82 124 81 67 43 137 136 68 41 96 207 150 206 235 93 122 0.887 45.58 880.0 71 93 78 98 290 18.4 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1141 2382.0 8.7 scans 80% TIC 0.25% 0.193% 7153 1.1 367 201685 0.242% 16710822 16141984 20863532 1-0 0.926 46.13 -1.2 83 80 89 97 292 25.5 0.485 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1150 ? UNK 46.46min 46.4228 2399.8 9.6 scans 58% 191 m/z 0.042% 0.556% 7206 0.7 552 1224877 47958808 42697023 6-7 17: 191 137 109 192 81 217 55 235 123 67 135 83 97 193 111 149 82 0.738 46.47 910.5 70 92 69 98 235 95.2 2.974 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.6796 2414.6 9.8 scans 37% 121 m/z (123 261) 3.4% 0.0261% 7249 0.9 115 15158 2254193 1984128 3-1 20: 121 69 177 81 205 204 175 136 245 149 91 109 95 131 78 153 145 139 93 159 0.828 46.49 10.6 69 79 71 78 290 9.3 0.645 0.185 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7647 2419.5 7.5 scans 26% 74 m/z (302) 1.6% 0.0127% 7263 1.1 92 31706 1096597 969017 10-6 12: 74 87 298 75 143 255 199 101 213 59 88 269 0.883 46.76 924.4 69 96 83 94 298 18.6 4.105 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1220 ? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8573 2424.8 8.6 scans 11% 191 m/z (109) 4.0% 0.00597% 7278 1.0 61 12775 515344 494299 1-2 3: 191 288 192 0.619 46.86 -0.1 70 85 56 82 290 5.7 0.859 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1152 ? UNK 47.18min 47.1218 2440.0 9.1 scans 76% 109 m/z (218) 0.19% 0.225% 7324 0.8 350 269823 0.251% 19426855 17666297 21639449 0-3 20: 109 43 95 81 123 137 93 235 69 127 55 41 121 111 79 107 217 67 110 91 0.986 47.18 935.6 77 99 98 99 278 33.6 0.921 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2723 2448.7 8.1 scans 60% 81 m/z (291) 0.73% 0.0665% 7350 1.0 205 70041 5737007 5194470 1-2 20: 81 95 93 69 135 109 107 178 133 137 257 121 148 55 149 123 41 105 91 43 0.969 47.36 -4.8 94 96 93 98 272 19.8 0.933 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1226 ? Sclareol 47.42min 47.3703 2454.4 >9 scans 23% 290 m/z (192) 3.3% 0.0133% 7366 1.1 80 15579 1148092 869263 3-2 5: 290 215 195 272 187 0.788 47.42 -2.7 73 82 61 82 290 13.4 2.792 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9306 2486.6 20.2 scans 64% TIC 1.5% 0.0520% 7461 1.2 181 32592 0.0886% 4491275 4166010 7638467 9-0 0.792 47.95 -1.0 81 85 80 84 272 13.7 0.572 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN N407_R~1-N1154 UNK 48.48min 48.4613 2517.2 8.9 scans 91% 148 m/z 0.041% 0.530% 7551 0.8 575 1230173 45771480 41781923 3-2 20: 148 95 149 133 69 147 109 43 108 41 286 96 162 135 81 55 67 178 121 79 0.981 48.48 979.0 81 100 98 100 286 71.5 1.547 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9294 2544.1 8.2 scans 54% 429 m/z (117) 2.2% 0.0125% 7631 1.4 87 22896 1083338 977283 4-4 13: 429 430 265 369 432 148 205 74 223 327 149 296 401 0.852 48.95 993.7 73 99 91 99 429 24.0 7.599 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8568 2712.5 8.3 scans 40% 73 m/z 2.9% 0.00664% 8126 1.0 66 17456 572576 523251 3-4 19: 73 147 221 429 355 281 283 503 295 357 430 342 356 85 327 369 133 504 505 0.655 51.86 1081.6 73 96 65 93 503 11.8 3.152 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1030 Pentacosane 54.6644 2874.1 8.8 scans 62% 57 m/z (73) 1.8% 0.0180% 8601 1.4 101 27718 1552566 1409223 3-3 19: 57 71 85 43 99 55 41 113 127 69 83 168 111 97 112 86 98 84 125 0.887 54.79 -7.2 86 93 84 88 352 7.2 0.000 -0.126 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP3.FIN HCMIX_~1-N1034 ? Heptacosane 59.7915 3169.0 12.5 scans 36% 57 m/z 5.1% 0.00458% 9470 1.1 46 9978 395360 375417 2-2 11: 57 43 127 99 55 85 97 70 98 155 183 0.551 59.97 -10.1 73 79 47 73 380 3.8 0.000 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0760 770.4 6.8 scans 64% 77 m/z 0.090% 0.0726% 32 3.7 233 624196 0.0796% 7114090 6676239 7797288 0-4 14: 77 45 78 79 62 76 59 47 75 63 46 92 80 65 0.997 4.37 16.4 100 99 99 99 77 199.3 73.325 -0.295 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 7.2289 852.5 >7 scans 11% 207 m/z 3.3% 0.00189% 567 3.9 41 16784 185253 175661 0-1 5: 207 209 208 177 133 0.758 6.53 -124.3 72 96 76 95 207 32.7 63.149 0.701 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6752 864.1 >9 scans 80% 83 m/z (101) 1.2% 0.0341% 642 1.2 155 45730 0.112% 3346534 3258619 10971059 1-0 20: 83 69 55 41 42 39 98 57 97 80 70 43 53 99 56 79 38 81 84 51 0.987 7.71 8.8 98 99 98 99 98 35.3 5.188 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1016 ?? Pivalic acid 11.4716 962.9 >3 scans 29% TIC 0.84% 0.0112% 1285 3.0 131 66427 1101612 467206 0-13 0.616 6.03 1.3 62 63 68 80 102 3.9 0.000 5.439 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.2260 982.6 9.9 scans 41% TIC 0.32% 0.0693% 1413 1.6 200 172729 6790313 6117931 5-5 0.520 12.22 36.3 87 94 24 99 281 83.7 17.511 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6836 994.5 >7 scans 46% TIC 1.7% 0.00264% 1490 0.5 69 31455 259405 238838 1-0 0.841 13.22 30.9 89 95 81 96 110 23.2 11.349 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1022 ? Octanal 12.9291 1000.9 8.5 scans 50% 84 m/z (80) 3.3% 0.0179% 1532 2.1 106 16612 1758693 1605377 0-3 17: 84 57 43 44 41 55 82 69 85 100 42 95 81 68 110 39 54 0.953 12.96 -173.9 72 95 91 98 110 12.1 1.293 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1016 Limonene 13.9079 1027.4 9.3 scans 51% TIC 1.7% 0.0212% 1698 1.1 123 32832 2077474 1855164 2-2 0.655 13.89 52.1 83 98 70 97 136 25.9 4.411 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1316 1033.5 12.7 scans 93% 79 m/z 0.036% 1.07% 1735 0.8 683 1544123 105780732 95960179 2-4 20: 79 108 107 77 51 91 78 50 89 80 90 109 65 39 63 52 53 74 105 62 0.994 14.11 54.5 92 100 100 100 108 302.0 19.531 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4604 1042.4 11.1 scans 68% 91 m/z 0.39% 0.0352% 1791 1.8 133 142170 3450508 3229857 1-3 16: 91 92 120 65 63 89 39 51 121 61 90 50 64 74 85 66 0.941 14.44 57.6 89 99 93 98 120 44.6 11.236 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1795 1061.9 13.2 scans 73% 105 m/z 0.16% 0.158% 1913 2.3 248 346940 15499406 14119570 3-1 19: 105 77 123 51 46 50 106 78 74 124 76 75 95 67 63 80 49 62 104 0.809 15.17 64.5 88 100 96 99 123 88.7 12.826 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN M4942-N1006 ? 2-Acetylpyrrole 15.1930 1062.2 10.2 scans 14% 94 m/z 0.80% 0.0215% 1915 1.7 106 69493 2112400 1943742 3-2 7: 94 109 66 38 64 37 110 0.789 16.11 -208.0 77 98 81 97 109 60.9 32.988 -0.916 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN 98-86-2 ? Acetophenone 15.2751 1064.5 >11 scans 42% 120 m/z (94) 0.59% 0.0307% 1928 4.0 125 95151 3016129 2912174 0-1 5: 120 89 123 107 62 0.980 15.29 -181.2 75 96 93 98 120 38.4 9.386 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4363 1068.8 10.0 scans 32% TIC 0.99% 0.00938% 1956 1.8 99 56694 0.0120% 919668 843246 1175471 1-0 0.643 15.43 67.1 80 97 69 96 124 34.4 12.052 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1002 Undecane 16.6116 1101.0 >11 scans 48% TIC 2.0% 0.0138% 2156 0.8 101 28047 1354377 1259352 2-0 0.674 16.59 1.0 80 84 77 90 156 11.2 1.235 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 16.7834 1108.3 8.9 scans 67% 57 m/z 0.25% 0.168% 2185 1.3 329 218976 16550075 14612359 9-4 19: 57 41 69 43 56 55 98 70 44 82 68 95 96 39 67 71 42 54 114 0.795 16.82 -183.1 74 96 83 95 124 5.4 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1016 ? Nonanal 16.7834 1108.3 8.9 scans 75% 57 m/z (73) 0.25% 0.205% 2185 1.3 347 220349 20089599 17737468 9-4 19: 57 41 69 43 56 55 98 70 44 82 68 95 96 39 67 71 42 54 114 0.882 16.82 85.9 75 95 92 97 124 6.1 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 16.9150 1113.9 7.4 scans 23% 82 m/z (59) 2.8% 0.00500% 2207 1.1 64 19595 0.00613% 489788 478174 600470 0-5 3: 82 81 54 0.737 19.12 56.8 73 86 80 94 97 14.8 5.389 -2.206 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0532 1119.7 9.9 scans 87% 91 m/z 0.073% 0.239% 2230 1.4 361 766287 23484421 21815847 2-3 19: 91 92 122 65 93 77 51 63 39 78 89 104 123 50 121 62 90 52 136 0.974 17.05 93.7 80 97 95 99 122 114.8 10.093 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.0780 1163.0 11.8 scans 48% 355 m/z (339) 0.96% 0.0240% 2404 1.6 110 58262 2351201 2173094 9-2 19: 355 73 267 356 269 268 325 223 251 323 74 324 191 75 170 250 192 140 194 0.760 18.09 121.4 67 93 81 92 355 48.1 19.105 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0780 1163.0 11.8 scans 50% 355 m/z 1.1% 0.0230% 2404 1.6 112 49381 2262015 2090664 9-2 19: 355 73 267 356 269 268 325 223 251 323 74 324 191 75 170 250 192 140 194 0.879 18.13 -168.7 78 98 83 98 355 51.2 20.978 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN M4942-N1002 ? Pyranone 18.1217 1164.8 8.9 scans 29% 144 m/z (355) 2.7% 0.00982% 2412 1.3 78 20234 962204 885349 2-2 10: 144 43 101 44 72 45 145 115 162 117 0.884 20.04 -225.7 70 95 83 95 144 35.4 20.560 -1.920 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 18.2315 1169.5 10.3 scans 35% 69 m/z (137) 5.4% 0.00832% 2430 1.2 66 10366 815869 728072 2-2 11: 69 85 281 87 98 73 70 283 88 91 282 0.662 22.03 -139.6 64 88 83 90 175 0.0 0.000 -3.803 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8212 1194.4 10.6 scans 61% 55 m/z (137) 3.1% 0.0236% 2530 1.1 111 18080 2319309 2086132 1-3 19: 55 83 41 57 69 39 97 84 96 56 98 42 94 93 53 54 68 67 82 0.903 18.83 141.7 65 85 87 99 122 10.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 19.0904 1205.8 13.4 scans 27% 122 m/z 2.3% 0.00753% 2575 0.6 66 23992 737586 696942 1-6 12: 122 105 77 85 51 49 50 106 69 76 45 37 0.600 20.03 135.1 66 91 80 90 122 35.3 28.664 -0.939 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.7646 1234.2 13.0 scans 27% 119 m/z 0.52% 0.0322% 2689 1.4 125 106461 3159780 2920814 3-3 10: 119 134 91 120 135 92 64 52 121 37 0.829 13.76 34.7 73 78 68 78 134 46.9 14.103 6.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7994 1235.7 9.6 scans 75% 57 m/z 0.15% 0.155% 2695 1.2 303 354067 15183179 14074167 3-3 20: 57 45 41 75 87 56 89 72 101 100 59 85 43 60 73 44 58 55 62 61 0.937 19.81 168.2 77 98 94 99 144 7.5 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1034 ? Decanal 20.5231 1263.8 8.3 scans 89% 57 m/z 0.48% 0.113% 2818 1.1 285 114809 11128952 10303451 4-3 20: 57 41 43 55 82 70 71 68 83 44 67 56 81 69 112 95 96 42 110 84 0.982 20.57 -143.2 71 87 93 99 138 14.6 0.263 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9860 1277.7 8.7 scans 43% TIC 1.9% 0.0174% 2897 1.0 122 29461 1709001 1587121 2-1 0.578 21.00 192.4 62 85 47 82 155 0.0 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1654 1283.1 10.8 scans 14% 281 m/z (55) 2.3% 0.00563% 2927 1.5 51 23740 551955 479681 5-3 16: 281 265 283 269 284 193 207 287 195 282 286 191 266 179 251 208 0.461 12.25 130.0 71 98 63 96 281 38.9 58.336 8.914 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1006 ? Tridecane 22.5049 1323.3 7.7 scans 27% 85 m/z 6.4% 0.00273% 3154 1.1 54 8659 267838 243315 1-0 17: 85 57 43 71 99 70 56 55 98 83 111 84 97 86 146 112 42 0.697 23.86 -40.7 70 81 72 78 184 0.0 0.000 -1.357 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 22.7876 1331.8 12.6 scans 59% 60 m/z (158) 1.1% 0.0397% 3202 0.3 133 50353 3891106 3506713 1-2 15: 60 73 57 115 129 55 98 61 43 87 45 42 101 56 130 0.915 22.70 -143.5 71 96 91 97 158 4.9 0.000 0.092 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0882 1371.6 6.9 scans 54% 73 m/z 0.47% 0.0373% 3422 1.0 178 117516 3655869 3421583 2-6 19: 73 341 429 342 325 147 343 430 431 327 326 74 207 344 432 148 311 75 251 0.825 24.17 -152.2 79 99 89 98 429 56.1 9.923 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6767 1391.2 8.3 scans 62% 43 m/z 0.79% 0.0302% 3522 1.1 152 70745 2964447 2797093 1-3 20: 43 69 41 83 55 82 142 58 70 113 56 85 111 127 71 39 67 143 57 68 0.777 24.70 251.6 70 94 89 97 170 2.2 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4382 1416.7 10.8 scans 55% TIC 0.52% 0.0278% 3651 2.1 129 106351 2732636 2430873 1-4 0.727 25.89 259.7 73 95 72 94 162 35.4 7.489 -0.454 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0062 1469.0 8.2 scans 86% 136 m/z 0.33% 0.168% 3916 1.0 355 166231 16548033 15397623 1-4 20: 136 121 43 69 93 161 109 41 95 81 176 79 107 67 123 91 77 105 55 179 0.969 27.02 295.6 80 99 97 99 208 5.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1041 1472.3 6.6 scans 20% 221 m/z 6.4% 0.00210% 3933 1.0 45 8783 206375 192967 1-2 10: 221 73 147 282 355 222 223 283 356 74 0.720 27.12 297.4 70 94 67 91 355 9.9 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1679 1474.4 7.6 scans 61% 57 m/z (170) 1.3% 0.0165% 3944 1.2 107 42091 0.0250% 1621304 1483516 2448897 2-0 17: 57 71 85 43 41 98 86 56 99 198 84 97 70 112 141 127 42 0.959 27.21 -1.4 92 96 92 96 198 12.9 1.456 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1032 Myosmine 27.9412 1503.3 12.4 scans 85% 118 m/z 0.11% 0.263% 4075 1.5 359 500852 25821243 23115193 2-3 20: 118 145 58 105 78 51 119 104 147 117 91 41 63 65 39 42 77 64 89 90 0.980 27.93 316.6 80 100 98 99 146 155.2 18.657 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6614 1530.4 8.2 scans 92% 43 m/z 0.059% 0.392% 4197 0.9 539 952124 38460565 36110345 2-6 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 81 39 68 55 79 108 91 0.991 28.67 333.0 80 99 99 99 194 34.2 0.404 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.9159 1540.0 8.9 scans 33% 107 m/z (85) 6.7% 0.0125% 4239 1.0 87 8293 1231671 1113457 2-2 20: 107 133 189 91 95 55 105 119 161 79 120 147 93 162 67 134 81 136 98 109 0.751 45.98 60.3 63 81 63 80 204 17.9 4.198 -17.059 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0877 1546.4 7.4 scans 63% 71 m/z (123) 0.81% 0.0338% 4269 1.4 156 69334 0.0407% 3313949 3099436 3986804 1-0 19: 71 57 43 85 70 56 41 113 141 55 99 112 183 97 84 140 42 182 127 0.929 29.10 342.5 70 95 91 93 227 3.2 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5316 1563.1 8.1 scans 59% TIC 0.74% 0.0373% 4344 1.0 177 75397 3662581 3130011 10-1 0.795 29.61 -150.0 76 97 70 98 503 27.0 2.342 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6461 1567.4 8.3 scans 78% 177 m/z (204) 0.14% 0.130% 4363 0.9 301 375035 12742756 12204197 1-1 19: 177 158 43 178 135 91 77 93 79 105 149 159 121 107 133 122 192 109 41 0.975 29.68 354.9 66 88 87 88 192 34.2 1.293 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7447 1571.1 7.6 scans 50% TIC 0.35% 0.0128% 4380 1.2 139 159327 1262284 1188194 1-0 0.885 29.77 357.1 74 96 88 95 193 11.8 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1118 UNK Hydrocarbon double ring structure 29.8321 1574.4 8.2 scans 81% 105 m/z 0.20% 0.139% 4395 1.0 319 275286 0.144% 13703676 12420007 14105647 4-2 20: 105 91 161 107 93 121 133 79 119 94 106 204 77 80 147 189 95 41 81 148 0.980 29.85 359.3 80 99 97 99 204 48.0 2.273 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9371 1578.4 8.9 scans 54% 71 m/z (128) 0.94% 0.0346% 4413 0.8 140 59530 3394643 3027443 2-2 18: 71 85 57 43 99 113 127 155 84 70 69 56 86 154 42 169 112 100 0.961 29.94 362.0 73 97 96 98 254 3.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.3173 1592.7 8.1 scans 37% 57 m/z (41) 1.8% 0.0121% 4477 1.4 93 30125 1185229 1137770 0-1 16: 57 43 71 85 98 212 70 99 112 113 126 84 140 42 58 72 0.950 30.38 -2.2 79 84 77 83 212 12.2 1.723 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5157 1600.7 8.2 scans 44% 191 m/z (202) 0.46% 0.0219% 4511 0.9 124 121902 2145957 1988358 2-2 10: 191 206 192 74 163 175 73 207 60 102 0.926 30.50 375.9 76 99 87 98 206 34.5 7.797 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8108 1613.1 8.4 scans 34% 124 m/z (164) 1.6% 0.0123% 4561 0.9 92 34558 1210900 1119898 2-2 4: 124 137 180 138 0.946 30.81 383.7 71 95 85 95 180 26.6 8.383 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1190 ?? Berkheyaradulene 30.8882 1616.4 8.8 scans 54% 162 m/z (164) 1.5% 0.0233% 4574 1.1 126 35539 2287183 2162282 1-1 19: 162 147 161 111 69 99 141 148 43 95 110 91 55 105 101 116 103 163 115 0.943 30.88 0.4 68 67 44 85 204 5.9 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1851 1628.9 9.6 scans 79% TIC 0.27% 0.0969% 4624 0.9 261 203422 9499010 8551529 2-1 0.937 31.18 393.9 78 98 93 99 180 56.2 4.635 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1130 ? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3138 1634.3 9.0 scans 86% 95 m/z 0.19% 0.431% 4646 0.8 538 286589 42297311 39208482 2-2 20: 95 109 69 194 161 81 55 41 67 111 137 179 97 83 176 121 79 110 68 93 0.946 31.35 396.8 79 99 95 100 194 114.0 4.494 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5127 1642.6 9.5 scans 47% 43 m/z (97) 1.3% 0.0183% 4680 1.0 105 41369 1800074 1628134 2-1 19: 43 98 111 166 55 151 85 68 42 99 126 114 83 57 71 127 142 39 123 0.907 31.52 -0.1 89 95 90 94 166 21.6 4.274 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8787 1658.0 9.2 scans 71% 96 m/z 0.45% 0.156% 4742 1.1 326 124713 15365863 14050734 3-2 19: 96 79 138 109 41 82 123 69 95 83 67 120 81 110 94 107 93 55 53 0.902 31.90 412.2 75 95 88 94 220 25.5 0.615 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1200 ? Contamination 32.08min 32.0877 1666.8 7.0 scans 1.2% 221 m/z 3.4% 0.00312% 4777 0.8 49 16442 306134 259824 7-10 13: 221 73 295 355 222 325 267 223 281 341 342 297 356 0.723 32.08 0.4 78 83 53 81 355 11.4 5.387 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1715 1670.3 9.0 scans 65% 109 m/z (218) 0.11% 0.435% 4792 1.0 527 481651 42701941 40190647 1-4 20: 109 43 163 191 206 69 107 91 121 79 93 77 149 105 147 136 119 53 39 164 0.694 32.20 420.0 76 99 77 98 206 92.6 3.090 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2341 1672.9 13.8 scans 11% 57 m/z (193 133) 2.6% 0.00965% 4802 0.5 66 20952 945294 855401 1-1 8: 57 183 182 99 113 155 154 100 0.466 32.24 -0.2 72 89 50 85 226 4.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1122 Longipinocarvone 32.5600 1686.6 8.3 scans 84% 134 m/z 0.35% 0.193% 4857 0.9 383 156608 18917622 18090508 2-1 20: 134 69 91 79 41 135 93 133 107 77 92 105 175 119 67 53 108 109 39 95 0.956 32.60 430.4 80 100 97 99 218 17.6 0.211 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8404 1698.4 8.5 scans 76% 79 m/z (70) 0.73% 0.121% 4905 0.9 288 76657 0.136% 11942225 11052799 13322000 2-2 20: 79 93 91 95 82 41 109 43 69 107 77 96 67 106 55 121 81 135 110 105 0.981 32.87 438.1 75 97 97 97 206 34.4 1.426 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9342 1702.4 7.7 scans 30% 71 m/z 0.49% 0.0128% 4921 0.9 111 113917 1262998 1205930 1-1 17: 71 123 43 138 111 72 159 243 155 56 173 124 143 219 89 73 98 0.621 32.93 0.1 88 95 85 97 243 17.8 2.588 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0659 1707.9 >11 scans 40% 69 m/z (109) 4.1% 0.0180% 4943 999.0 99 13583 0.0305% 1765177 1695388 2987654 0-1 11: 69 71 53 82 125 41 66 99 152 111 163 0.899 33.09 -0.8 87 91 94 92 224 5.1 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3103 1718.2 7.4 scans 63% 57 m/z (203) 0.48% 0.0488% 4984 1.0 188 115424 0.0534% 4780240 4256090 5230844 2-7 17: 57 71 85 43 41 55 56 99 70 226 113 42 84 98 126 127 141 0.971 33.37 -2.6 95 98 95 98 226 22.6 1.446 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8983 1728.3 7.4 scans 26% 71 m/z (193) 5.3% 0.00495% 5084 0.9 63 10568 484954 469349 1-0 19: 71 197 57 169 43 70 85 196 55 168 125 99 127 113 141 167 124 155 225 0.766 33.90 0.0 75 88 79 89 197 12.7 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1132 Longifolenaldehyde 34.1308 1731.6 9.8 scans 94% 109 m/z 0.037% 1.49% 5123 0.5 968 1512677 146550814 140962814 3-1 20: 109 95 191 107 135 105 119 69 220 41 137 79 55 97 123 192 67 189 136 133 0.996 34.14 452.4 81 100 99 100 220 142.9 2.177 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4178 1735.7 7.2 scans 9.0% 73 m/z (136) 0.91% 0.0232% 5172 1.0 136 61269 2279641 2109644 2-2 19: 73 355 221 281 356 401 357 415 402 327 222 267 74 283 385 223 325 416 403 0.755 34.39 452.7 73 98 84 97 415 17.7 1.691 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4449 1736.1 8.5 scans 77% 136 m/z (73) 0.11% 0.406% 5176 1.0 515 502835 39793908 35551083 2-1 20: 136 91 41 79 69 93 105 77 107 67 135 109 117 55 95 81 131 137 119 121 0.987 34.50 451.5 72 92 94 97 218 0.0 0.000 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5695 1737.9 9.1 scans 85% 69 m/z 0.14% 0.520% 5198 0.7 587 395665 50951307 47831364 1-2 20: 69 123 163 196 125 82 43 95 67 83 71 81 41 55 68 138 72 122 124 57 0.957 34.61 451.6 77 96 95 100 6 0.0 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7324 1740.2 9.9 scans 51% 91 m/z (109) 0.23% 0.0971% 5225 1.0 232 243917 9519382 8507215 3-4 20: 91 155 199 90 65 184 89 92 44 120 63 137 157 200 185 64 51 156 134 62 0.957 34.79 451.2 76 98 94 98 199 66.9 8.324 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9024 1742.7 8.5 scans 28% 68 m/z (105) 2.8% 0.0149% 5253 1.5 94 19440 1465820 1259236 2-3 3: 68 152 224 0.902 34.90 -0.0 78 84 84 86 224 12.9 1.858 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1206 ?? Spathulenol 35.3576 1749.2 9.3 scans 79% 93 m/z (127) 0.77% 0.205% 5331 1.2 338 72295 20178270 18514980 3-3 20: 93 81 41 95 69 57 55 109 79 91 43 107 71 105 92 67 82 121 56 131 0.911 32.67 57.7 63 77 72 83 220 11.8 0.122 2.683 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6279 1753.1 8.7 scans 75% 71 m/z (209) 0.11% 0.417% 5377 0.7 513 491044 0.528% 40938985 37888674 51720705 0-8 19: 71 97 83 69 55 191 43 81 57 41 67 95 137 82 153 177 72 123 121 0.948 35.70 450.4 72 95 87 94 224 22.4 0.000 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.6031 1767.0 7.5 scans 13% 73 m/z 2.6% 0.00722% 5542 1.0 79 21291 707583 653124 2-0 16: 73 221 295 147 207 206 163 191 281 369 341 222 327 355 296 208 0.563 36.58 450.5 68 95 76 94 369 14.5 3.360 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6876 1768.2 9.1 scans 82% 109 m/z 0.10% 0.355% 5557 0.9 493 512969 34791343 31282076 8-1 20: 109 220 43 135 123 124 91 205 81 97 77 149 41 221 121 69 79 107 95 136 0.974 36.70 449.7 80 100 98 100 220 163.2 10.964 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2295 1776.0 8.2 scans 64% 209 m/z 0.15% 0.106% 5648 1.0 283 351599 10448481 9761660 2-2 20: 209 224 181 165 210 167 178 105 166 179 103 225 194 77 91 193 115 182 119 97 0.886 37.20 449.7 79 99 89 99 224 92.4 10.667 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1016 ?? Octadecane 37.3045 1777.0 7.9 scans 25% 71 m/z (190) 2.3% 0.0111% 5661 1.2 91 23987 0.0151% 1088685 1043886 1479134 2-1 20: 71 85 57 99 43 113 169 155 84 126 127 86 72 141 70 239 211 111 112 154 0.934 38.91 -23.0 69 76 75 74 254 1.8 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN GLAU_R~1-N1084 ?? Pentadecane 37.3045 1777.0 7.9 scans 19% 71 m/z 2.2% 0.00443% 5661 1.2 81 24634 0.00603% 434541 416660 590674 2-1 20: 71 85 57 99 43 113 169 155 84 126 127 86 72 141 70 239 211 111 112 154 0.845 24.54 639.7 66 88 70 86 169 12.7 0.000 12.762 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9839 1786.8 9.2 scans 87% 177 m/z 0.15% 0.557% 5776 0.6 612 362541 54655071 51745670 3-2 20: 177 109 95 192 43 69 97 84 81 123 41 71 107 238 55 87 121 67 83 93 0.963 37.98 448.2 76 95 92 100 238 87.4 2.040 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0613 1787.9 >10 scans 38% 57 m/z (217) 1.1% 0.0225% 5789 1.6 118 49323 2212048 2000906 0-4 19: 57 71 85 225 56 43 99 224 113 155 41 169 70 58 226 127 197 74 83 0.874 38.06 448.2 66 92 86 91 225 25.6 4.691 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6740 1796.6 21.6 scans 41% TIC 0.82% 0.0287% 5893 0.7 146 67855 0.0463% 2817743 2732347 4535357 1-0 0.838 38.59 448.5 77 98 89 98 429 43.5 8.831 0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8600 1917.8 >11 scans 95% 166 m/z 0.021% 3.44% 6094 0.2 1433 2608442 337596838 337596838 0-0 6: 166 249 236 167 224 90 0.999 39.94 548.7 80 99 99 99 278 81.0 0.320 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.4928 1996.2 11.5 scans 8.6% 223 m/z (93) 0.51% 0.0208% 6201 0.7 99 109192 2039109 1869707 0-1 8: 223 205 75 174 132 118 120 189 0.812 40.31 621.3 62 89 69 92 223 23.1 5.425 0.188 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N406_R~1-N1110 Phytol 40.5513 2003.5 7.5 scans 88% 81 m/z 0.045% 1.20% 6211 0.6 974 1248338 117679925 104349391 8-11 20: 81 82 95 68 123 57 43 69 55 79 83 67 41 124 71 96 97 109 278 110 0.983 40.66 -13.7 99 98 98 98 278 116.1 1.423 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6127 2011.1 7.3 scans 13% 221 m/z (68) 2.1% 0.0114% 6221 0.9 93 26152 0.0132% 1117051 1022840 1293018 0-2 16: 221 73 147 295 281 222 369 355 74 267 341 283 327 415 356 371 0.798 40.63 631.0 70 95 82 97 369 15.6 2.809 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1254 Phytol 40.9433 2052.1 8.2 scans 88% 81 m/z (191) 0.10% 0.614% 6277 0.9 654 546181 60195851 55523068 2-1 20: 81 68 123 57 43 69 79 83 55 67 71 41 97 109 124 111 85 110 56 53 0.998 40.87 9.4 97 98 99 99 278 88.4 1.825 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1148 ? UNK 40.98min 41.0365 2063.6 10.3 scans 47% 245 m/z 0.15% 0.0903% 6293 1.3 245 354062 8851328 8057497 1-2 18: 245 246 122 135 260 43 91 123 161 136 105 131 159 145 79 117 115 77 0.831 40.98 678.1 78 98 79 98 260 36.9 2.272 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1888 2082.5 10.9 scans 67% 109 m/z (93) 0.41% 0.243% 6319 1.3 338 134402 23888533 21805707 2-1 19: 109 262 191 81 95 123 43 177 107 121 229 137 71 135 55 136 91 79 125 0.943 41.13 694.7 76 98 91 98 262 71.8 4.515 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3925 2107.8 13.1 scans 75% 191 m/z 0.050% 0.497% 6353 0.7 509 1121477 48770594 47359013 2-1 20: 191 80 119 121 43 192 135 105 107 93 91 189 95 109 136 55 149 108 77 69 0.941 41.29 717.4 78 98 94 98 229 41.2 0.655 0.102 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4946 2119.7 8.5 scans 58% 205 m/z (249) 0.78% 0.103% 6370 1.0 267 71711 10185342 9612797 0-2 19: 205 57 217 175 220 177 55 189 232 41 261 203 91 206 233 218 124 221 161 0.826 41.49 -76.9 78 95 86 96 276 17.2 0.417 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.7048 2131.4 >4 scans 9.5% 202 m/z (43) 0.40% 0.0921% 6406 0.0 260 138082 0.179% 9030515 5386007 17534103 7-0 2: 202 218 0.896 42.05 -19.2 74 79 69 78 272 32.8 0.000 -0.340 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7272 2132.7 9.3 scans 86% 69 m/z 0.021% 1.37% 6410 0.5 934 2597623 134789982 124505660 4-1 20: 69 93 81 41 133 67 79 120 91 95 107 55 68 119 77 161 121 53 109 105 0.962 41.75 735.2 73 92 93 92 272 0.0 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0442 2150.5 8.1 scans 87% 74 m/z 0.044% 0.516% 6464 0.8 620 1257278 50560820 47478895 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 239 59 83 129 185 171 97 199 241 0.971 42.01 748.5 79 99 96 98 272 14.5 0.000 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3536 2167.9 7.8 scans 31% 73 m/z 1.4% 0.0152% 6516 1.5 108 39750 1491940 1326230 2-9 18: 73 281 221 146 355 282 207 283 504 145 222 430 461 295 267 357 505 462 0.718 42.37 758.9 69 95 72 94 503 19.5 3.261 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9421 2200.9 10.3 scans 31% 133 m/z (69) 1.4% 0.0254% 6616 0.7 120 39542 2495831 2165051 3-1 17: 133 148 190 105 106 257 131 120 175 117 273 149 260 147 145 143 92 0.891 42.90 2.2 87 92 76 91 272 11.1 0.857 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 42.9675 2202.3 >11 scans 9.4% 243 m/z (82) 4.5% 0.00791% 6620 0.0 64 12471 0.0197% 775523 720876 1929731 3-0 5: 243 86 221 134 239 0.355 42.99 -1.3 67 79 27 77 272 18.9 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0265 2205.6 8.2 scans 51% 82 m/z (111) 0.059% 0.216% 6630 1.1 385 942226 21193490 19679365 2-3 13: 82 81 95 43 83 109 292 96 53 138 293 248 42 0.897 43.03 783.5 68 92 81 90 292 54.6 2.012 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1948 2215.1 10.2 scans 25% TIC 1.8% 0.0206% 6659 0.9 132 29992 2019556 1895585 1-1 0.429 43.15 2.3 81 85 36 81 272 29.2 4.872 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N406_R~1-N1112 ? Phyllocladene 43.1959 2215.2 9.0 scans 19% 70 m/z 1.4% 0.0168% 6659 0.8 117 39102 1646402 1554241 1-1 14: 70 69 187 57 41 272 134 119 137 161 111 95 105 98 0.350 43.24 -2.2 74 83 23 78 272 29.4 6.326 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5685 2236.1 8.9 scans 48% 79 m/z (161) 2.4% 0.0403% 6722 1.4 156 23238 3954879 3686819 1-1 20: 79 81 93 69 257 119 216 95 55 41 91 107 105 135 134 137 201 106 74 272 0.895 43.55 0.9 88 94 89 94 272 17.7 1.288 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N419_R~1-N1158 ?? Manool oxide 43.8105 2249.7 8.4 scans 20% 257 m/z (69) 5.1% 0.00962% 6763 1.1 82 10883 943238 864542 3-2 8: 257 275 191 192 276 178 271 258 0.842 43.83 812.1 67 92 64 91 275 26.3 10.369 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1238 ?? Trachylobane 44.1535 2269.2 12.8 scans 40% 43 m/z (191) 1.3% 0.0560% 6821 0.9 166 41873 5491165 5276583 0-1 20: 43 55 136 105 91 175 111 165 189 82 119 97 78 133 65 72 110 71 106 68 0.905 44.15 -0.1 63 67 64 72 272 9.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1234 ?? Thunbergol 44.3123 2278.4 9.0 scans 62% 43 m/z (219) 0.56% 0.0838% 6848 0.8 228 99957 8209715 7520039 2-1 20: 43 109 95 93 79 81 107 121 94 135 77 91 69 162 152 134 67 80 55 82 0.819 44.90 -33.8 63 76 79 75 272 2.4 0.000 -0.589 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5655 2292.9 12.5 scans 34% 109 m/z (137) 3.2% 0.0212% 6891 0.8 102 17199 2082043 2023543 1-0 20: 109 69 177 105 121 135 106 119 91 149 84 286 190 179 145 175 77 53 108 146 0.878 44.55 0.7 84 89 84 88 272 8.6 0.710 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1240 ?? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.7763 2305.1 14.2 scans 5.4% TIC 5.6% 0.00328% 6927 1.6 47 9952 321771 296810 2-1 0.093 44.05 41.6 65 91 13 82 272 2.2 0.000 0.723 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.5768 2351.1 14.8 scans 8.7% 191 m/z (111) 0.47% 0.0760% 7062 1.2 177 118696 7445173 6934449 2-2 18: 191 304 192 102 171 143 52 262 103 129 132 190 38 159 174 156 245 275 0.144 45.56 0.7 73 88 16 82 290 5.6 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1156 ? Sclareolide 45.6063 2352.8 11.6 scans 80% 123 m/z (191) 0.12% 0.863% 7067 0.5 643 455532 84614747 80708431 2-2 20: 123 125 82 95 124 81 43 69 235 137 41 55 68 136 121 96 207 79 150 93 0.919 45.58 880.8 72 93 86 97 290 27.4 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9280 2371.3 8.3 scans 76% TIC 0.16% 0.142% 7122 1.2 341 334040 0.192% 13932268 13527830 18807529 1-0 0.960 45.92 892.6 78 99 97 99 298 56.6 2.762 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1230 ?? C18:3-butanoate 46.1358 2383.3 15.3 scans 53% 41 m/z (55) 0.73% 0.143% 7157 1.4 240 76729 14076201 12780241 2-1 20: 41 125 164 204 171 223 181 157 130 127 115 213 42 113 73 60 143 145 129 151 0.754 46.13 0.1 68 82 69 89 292 15.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1150 ? UNK 46.46min 46.4380 2400.7 10.0 scans 59% 191 m/z (248) 0.030% 0.867% 7208 0.6 684 1818609 84982819 76227991 5-6 18: 191 137 69 109 95 81 192 217 235 121 55 123 41 67 135 83 97 193 0.791 46.47 911.4 73 98 82 99 235 114.5 2.804 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4865 2403.5 13.2 scans 64% 289 m/z (248) 0.57% 0.113% 7216 0.6 301 97607 0.267% 11099809 11099809 26154220 0-0 2: 289 216 0.758 46.49 -0.5 87 93 69 89 290 38.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7692 2419.7 8.0 scans 38% TIC 0.49% 0.0159% 7264 1.1 173 114763 0.0215% 1563045 1563045 2106051 0-0 0.865 46.76 924.6 74 95 81 94 298 36.5 4.448 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8554 2424.7 8.7 scans 15% 191 m/z (192) 3.1% 0.0146% 7279 1.0 96 17589 1439016 1290816 3-2 3: 191 274 288 0.653 46.86 -0.2 67 77 57 77 290 4.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1152 ? UNK 47.18min 47.1329 2440.7 9.1 scans 74% 109 m/z (275) 0.13% 0.290% 7326 0.8 421 408696 0.321% 28435141 26535139 31443837 0-2 18: 109 43 95 81 123 93 137 235 127 111 55 41 121 79 107 217 110 67 0.981 47.18 936.3 77 98 97 99 278 42.1 1.001 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2917 2449.8 9.0 scans 71% 134 m/z (98) 0.34% 0.154% 7352 0.7 308 164311 15167838 13700677 1-2 19: 134 119 84 81 191 69 135 93 109 178 55 123 41 121 272 107 105 91 67 0.985 47.36 -3.7 97 99 97 99 272 30.5 0.979 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9351 2486.9 9.8 scans 68% TIC 0.70% 0.0947% 7462 1.1 258 79905 0.138% 9277027 8587817 13517911 8-0 0.830 47.95 -0.7 86 88 86 87 272 21.8 0.712 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN N407_R~1-N1154 UNK 48.48min 48.4694 2517.6 9.2 scans 92% 148 m/z 0.033% 0.664% 7552 0.7 661 1693775 65072434 59664437 3-2 20: 148 95 149 133 147 69 109 161 43 108 41 286 96 162 135 81 55 67 178 121 0.989 48.48 979.4 81 100 99 100 286 84.0 1.615 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9346 2544.4 7.6 scans 52% 73 m/z (258) 1.5% 0.0154% 7630 1.0 107 35761 1511884 1388164 2-4 18: 73 147 429 355 221 281 341 207 430 267 432 401 223 369 357 431 296 295 0.833 48.95 994.0 71 97 88 98 429 30.8 8.293 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3502 2625.8 7.8 scans 79% 74 m/z (95) 0.39% 0.0703% 7871 1.0 226 141292 6893555 6544689 2-4 20: 74 87 43 326 143 75 55 57 283 69 41 83 97 129 227 101 59 71 327 199 0.956 50.36 1038.8 75 98 95 98 326 45.5 4.028 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8177 2652.7 >11 scans 12% TIC 13% 0.000933% 7950 2.4 32 4115 91386 91386 0-0 0.484 44.32 1205.4 63 97 64 94 369 8.0 6.177 6.498 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8496 2712.1 8.0 scans 54% 73 m/z 1.7% 0.0126% 8125 0.9 98 31921 1239096 1140448 2-4 19: 73 221 147 429 355 281 431 341 430 207 503 222 357 505 295 223 369 265 282 0.787 51.86 1081.2 76 99 79 97 503 15.9 2.636 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1030 Pentacosane 54.6602 2873.8 8.9 scans 63% 57 m/z (73) 1.5% 0.0207% 8601 1.2 114 35838 2034180 1868409 3-4 20: 57 71 85 43 99 55 69 41 97 113 127 98 56 70 100 126 72 83 352 84 0.913 54.79 -7.5 87 93 87 90 352 8.2 0.000 -0.130 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP4.FIN HCMIX_~1-N1034 ? Heptacosane 59.7884 3168.8 12.8 scans 36% 71 m/z 5.6% 0.00429% 9469 1.0 47 9911 420268 384343 3-2 12: 71 43 99 57 85 70 55 83 84 111 141 95 0.593 59.97 -10.3 70 76 51 70 380 3.4 0.000 -0.179 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0831 770.6 7.1 scans 69% 77 m/z 0.10% 0.0722% 33 3.5 203 494270 6673857 5626972 2-3 15: 77 45 78 79 62 76 59 75 63 47 61 84 46 92 64 0.991 4.37 16.6 100 100 98 100 77 175.2 74.178 -0.288 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6877 864.4 >10 scans 77% 83 m/z 1.7% 0.0215% 644 1.3 124 30180 0.0578% 1993029 1866298 5339916 2-0 19: 83 55 69 41 39 98 42 57 97 80 70 56 43 79 53 54 84 38 40 0.957 7.71 9.1 99 99 94 99 98 28.7 5.360 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.4115 987.4 >13 scans 21% 93 m/z 2.1% 0.00610% 1444 11.0 52 23931 564069 547627 0-2 8: 93 193 281 251 283 282 284 266 0.561 12.22 41.1 87 95 65 98 281 38.6 54.732 0.191 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6901 994.6 >9 scans 54% TIC 1.4% 0.00782% 1491 0.7 83 36456 723047 678933 1-0 0.888 13.22 31.0 90 94 91 98 110 24.0 8.463 -0.532 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9410 1001.2 7.5 scans 46% 84 m/z (109) 6.6% 0.00780% 1534 1.2 72 7779 721008 702856 0-6 10: 84 57 56 44 82 55 69 85 68 100 0.923 12.96 -173.6 68 95 86 95 110 5.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1016 Limonene 13.9103 1027.5 8.5 scans 76% 93 m/z (126) 0.99% 0.0358% 1698 1.2 146 52092 3312293 3002300 2-3 20: 93 67 79 94 136 121 91 107 53 92 77 39 95 81 80 57 55 51 108 65 0.922 13.89 52.2 88 99 95 99 136 27.7 3.624 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1199 1033.2 11.2 scans 93% 79 m/z 0.043% 0.783% 1734 0.9 590 1186662 72346471 63165742 3-6 20: 79 108 107 77 51 91 78 80 50 89 90 65 63 109 39 53 52 74 105 62 0.991 14.11 54.2 92 100 100 100 108 262.1 19.736 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4594 1042.4 9.3 scans 56% TIC 0.68% 0.0102% 1791 1.3 92 75442 947203 864702 1-7 0.889 14.44 57.6 90 99 87 98 120 32.3 12.236 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1802 1061.9 11.1 scans 83% 105 m/z 0.11% 0.199% 1913 2.1 286 465039 18471341 17320853 2-1 20: 105 77 123 51 94 46 106 50 66 78 74 124 76 75 39 79 38 53 62 73 0.900 15.17 64.5 88 99 98 99 123 101.2 12.487 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN 98-86-2 ? Acetophenone 15.2675 1064.3 >9 scans 61% 120 m/z 0.38% 0.0333% 1928 3.3 146 133879 3078201 2839770 0-3 16: 120 77 105 78 121 106 96 51 89 63 50 108 37 75 107 124 0.924 15.29 -181.4 77 97 94 98 120 40.8 7.793 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4364 1068.8 9.0 scans 57% 95 m/z (120) 0.83% 0.0286% 1956 1.5 121 61614 2643890 2225755 2-8 17: 95 81 124 43 109 53 65 82 119 96 63 64 51 50 123 125 52 0.834 15.43 67.1 81 96 81 99 124 35.4 8.601 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1014 ?? Contamination 6.52min 15.7174 1076.4 >9 scans 11% 208 m/z 4.9% 0.00137% 2004 1.0 31 10464 127395 122353 2-0 4: 208 207 209 193 0.535 6.53 99.6 69 96 68 95 207 25.5 67.789 9.189 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1002 ? Undecane 16.6194 1101.4 9.6 scans 32% 121 m/z (267) 3.4% 0.00738% 2157 1.0 61 14975 682317 626445 1-0 12: 121 85 98 156 99 251 84 269 127 86 207 270 0.442 16.59 1.4 74 85 57 92 156 8.9 2.095 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7847 1108.4 8.5 scans 75% 57 m/z (100) 0.44% 0.110% 2185 1.2 266 117214 0.124% 10215773 9968150 11455875 0-4 20: 57 41 69 43 56 98 55 70 44 82 68 39 112 95 96 71 42 67 99 83 0.886 16.82 86.0 73 95 91 96 124 14.1 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 16.9163 1113.9 7.5 scans 24% 82 m/z (68) 3.1% 0.00444% 2207 1.1 58 16402 410234 410234 0-0 6: 82 81 54 39 109 38 0.803 19.12 56.8 76 89 85 94 97 11.6 4.011 -2.205 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0533 1119.7 9.4 scans 85% 91 m/z 0.089% 0.181% 2230 1.4 311 578091 16765607 15606812 2-3 19: 91 92 122 65 93 77 51 39 78 103 123 121 104 50 62 136 52 66 94 0.959 17.05 93.7 79 97 95 97 122 97.9 9.902 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1012 ?? Nicotine 17.6359 1144.3 7.6 scans 1.6% 133 m/z 52% 0.000089% 2329 2.0 8 983 8250 7684 2-0 2: 133 132 0.560 25.78 -11.0 67 100 100 100 162 0.0 0.000 -8.142 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0781 1163.0 11.4 scans 52% 355 m/z 1.2% 0.0190% 2404 1.5 99 41311 1756030 1688287 1-2 18: 355 73 267 357 269 253 249 252 179 74 223 265 323 268 191 163 154 162 0.845 18.13 -168.7 78 98 79 97 355 47.0 22.511 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.1005 1163.9 >7 scans 32% 251 m/z (358) 2.6% 0.00845% 2407 999.0 74 19264 0.0132% 781523 747077 1219496 0-1 11: 251 205 268 252 191 359 155 250 249 38 265 0.812 18.09 122.3 68 93 76 93 355 33.7 20.624 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN M4942-N1002 ?? Pyranone 18.1318 1165.3 10.4 scans 25% 144 m/z (355) 4.6% 0.00624% 2413 1.6 54 11038 576571 512126 2-3 5: 144 101 44 72 146 0.778 20.04 -225.2 68 95 78 94 144 25.5 22.076 -1.910 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1018 ?? Pyranone 18.1318 1165.3 10.4 scans 15% 144 m/z 4.8% 0.00327% 2413 1.6 42 10581 302361 268565 2-3 5: 144 101 44 72 146 0.732 18.22 121.8 60 84 49 84 144 25.6 37.540 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8160 1194.2 10.8 scans 65% 43 m/z (141) 3.7% 0.0176% 2529 1.2 96 13800 1628632 1615785 0-2 20: 43 55 69 96 39 42 81 98 97 93 82 54 133 58 40 68 94 65 53 112 0.951 18.83 141.5 65 82 88 99 122 6.9 0.516 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7558 1233.9 11.4 scans 44% 119 m/z 0.61% 0.0242% 2688 1.3 110 84401 2238684 2088454 2-2 12: 119 91 134 67 82 65 92 135 120 54 66 118 0.826 13.76 34.4 74 79 69 78 134 41.3 14.075 5.999 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8024 1235.8 8.9 scans 69% 57 m/z 0.31% 0.0644% 2696 1.3 200 162412 5950131 5507960 2-3 19: 57 45 41 75 87 56 89 72 100 101 59 85 60 73 58 44 131 55 132 0.933 19.81 168.3 77 98 94 99 144 4.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1034 ? Decanal 20.5226 1263.8 8.3 scans 82% 57 m/z 0.81% 0.0626% 2818 1.1 204 63194 5783338 5254538 5-2 19: 57 43 41 55 82 70 71 68 56 83 112 67 81 69 95 96 84 42 39 0.952 20.57 -143.2 73 92 94 98 138 10.9 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1006 ?? Arosol 20.9506 1276.6 13.8 scans 32% 94 m/z (43) 2.5% 0.00950% 2890 1.4 62 20401 878413 831148 3-2 3: 94 138 99 0.713 20.98 191.6 69 92 83 98 152 3.9 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1655 1283.1 11.2 scans 12% 281 m/z (133) 2.8% 0.00465% 2927 2.4 43 18079 430283 395404 7-0 11: 281 284 285 265 283 191 193 207 282 286 251 0.375 12.25 130.0 72 98 60 97 281 33.5 60.468 8.915 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1016 ?? Nicotine 22.8072 1332.3 >19 scans 46% 101 m/z (87) 1.2% 0.0405% 3205 0.2 115 39937 3748588 3393393 1-1 3: 101 116 99 0.843 25.35 183.1 69 95 84 94 162 0.0 0.000 -2.547 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 22.8302 1333.0 12.9 scans 51% 73 m/z (113) 0.84% 0.0381% 3209 0.3 136 61375 0.0597% 3523092 3269954 5515449 2-0 20: 73 60 57 129 115 55 87 41 98 61 45 74 43 101 69 56 39 42 84 158 0.958 22.70 -142.3 70 94 86 93 158 10.6 0.608 0.134 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8946 1335.0 9.1 scans 19% 109 m/z (77) 2.5% 0.00883% 3220 1.0 69 19951 816288 763016 3-2 4: 109 86 110 132 0.586 22.91 221.4 63 94 68 91 127 9.2 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8332 1363.1 8.2 scans 27% 57 m/z (111) 4.3% 0.00522% 3379 1.2 56 11827 482983 477153 0-3 8: 57 85 71 128 58 56 86 102 0.460 23.86 -0.9 73 89 79 86 184 6.4 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0882 1371.6 7.1 scans 48% 341 m/z 0.59% 0.0306% 3422 1.2 152 87274 2830710 2604053 2-6 19: 341 73 429 342 325 147 343 430 431 207 326 74 344 432 148 295 311 45 339 0.834 24.17 -152.2 78 99 87 98 429 48.8 10.298 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1032 ?? Dodecane 24.5375 1386.6 7.2 scans 20% 71 m/z 4.5% 0.00229% 3499 1.2 48 11268 211768 191160 1-1 12: 71 57 85 43 127 99 113 72 155 70 134 86 0.689 20.36 -13.6 64 73 58 70 170 2.9 0.000 4.179 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6774 1391.2 8.2 scans 77% 43 m/z 0.66% 0.0401% 3522 0.8 167 77268 3711950 3479625 1-6 20: 43 83 69 41 55 142 82 58 85 56 113 111 71 39 70 67 57 143 93 127 0.929 24.70 251.6 71 89 87 98 170 4.7 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4005 1415.4 9.4 scans 81% 84 m/z 0.13% 0.116% 3644 1.6 258 388996 10800759 10225844 1-4 20: 84 133 162 161 42 119 118 92 85 130 82 134 78 51 163 117 65 104 77 91 0.936 25.89 258.4 75 95 84 94 162 69.1 7.183 -0.491 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1112 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0080 1469.1 8.2 scans 86% 121 m/z 0.33% 0.159% 3916 0.9 331 151794 14742223 13828523 2-4 20: 121 136 43 69 93 161 109 79 176 95 41 107 81 67 91 123 77 55 179 105 0.970 27.02 295.7 80 99 97 99 208 0.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0989 1472.1 6.8 scans 24% 221 m/z 5.0% 0.00284% 3932 1.2 48 10203 262848 240640 2-1 12: 221 147 73 222 281 223 267 355 165 148 74 282 0.778 27.12 297.2 70 94 70 91 355 10.3 4.538 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1668 1474.4 7.8 scans 56% 57 m/z (170) 1.8% 0.0112% 3944 1.1 87 28618 0.0192% 1041975 980028 1773813 1-0 17: 57 71 85 43 41 70 56 198 99 112 55 126 84 113 98 42 83 0.930 27.21 -1.4 92 97 91 96 198 10.7 1.503 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1032 Myosmine 27.9313 1503.0 12.1 scans 91% 118 m/z 0.050% 0.573% 4073 1.4 510 1020204 52959984 49400916 2-3 20: 118 146 145 105 58 78 51 119 104 147 91 117 41 63 65 39 77 42 64 50 0.993 27.93 316.3 80 100 99 100 146 220.0 18.601 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6568 1530.2 7.8 scans 89% 43 m/z 0.079% 0.279% 4196 0.9 441 649966 25861571 23573262 3-8 20: 43 69 41 151 136 107 125 67 93 109 83 53 121 39 68 55 79 108 91 77 0.985 28.67 332.8 79 99 98 99 194 28.7 0.423 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.8947 1539.2 10.5 scans 21% 122 m/z 7.2% 0.00498% 4237 2.3 61 7143 460177 404463 1-1 18: 122 108 106 123 79 80 81 175 65 111 83 92 78 68 190 53 121 70 0.374 45.98 59.5 66 82 35 79 204 15.9 0.000 -17.080 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0877 1546.4 7.8 scans 60% 71 m/z (123) 0.81% 0.0328% 4269 1.2 147 63621 0.0421% 3035113 2898914 3889454 1-0 20: 71 57 43 85 141 70 84 41 99 55 112 183 140 162 97 113 42 220 184 161 0.922 29.10 342.5 69 94 90 92 227 2.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5270 1562.9 8.5 scans 55% TIC 0.64% 0.0442% 4343 1.1 176 80238 4086205 3503780 10-1 0.715 29.61 -150.2 76 97 78 98 503 28.7 2.671 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6456 1567.4 8.3 scans 82% 177 m/z (202) 0.12% 0.145% 4363 0.8 303 412877 13482770 12914369 2-1 19: 177 43 178 135 91 77 93 157 149 121 107 192 133 159 79 105 122 95 109 0.978 29.68 354.9 63 84 85 85 192 35.3 1.354 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7442 1571.1 >8 scans 53% TIC 0.34% 0.0136% 4380 1.3 134 150941 1259853 1205020 1-0 0.891 29.77 357.1 75 97 88 96 193 11.9 0.791 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1118 UNK Hydrocarbon double ring structure 29.8327 1574.4 8.3 scans 81% 105 m/z 0.16% 0.169% 4395 0.9 334 316132 15682925 14141980 10-2 20: 105 91 161 93 107 121 133 79 119 94 204 77 106 147 189 80 95 41 148 81 0.970 29.85 359.3 80 99 97 99 204 51.9 2.411 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 29.9325 1578.2 9.0 scans 53% 71 m/z (167) 0.73% 0.0404% 4412 0.9 143 70246 3737685 3450803 1-3 17: 71 85 57 43 99 113 155 127 84 69 70 56 86 154 112 156 179 0.835 29.94 361.8 69 95 83 97 254 4.2 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 30.3192 1592.7 8.0 scans 20% 57 m/z 2.3% 0.00456% 4478 1.1 67 22198 421385 383195 0-2 16: 57 43 71 85 139 212 99 113 56 97 154 54 127 126 72 44 0.757 30.38 -2.2 71 74 56 71 212 11.4 2.858 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5140 1600.7 7.9 scans 45% 191 m/z (202) 0.42% 0.0224% 4510 1.0 122 122480 2072967 1895133 2-2 11: 191 206 192 163 175 74 73 207 176 193 60 0.934 30.50 375.9 75 98 87 97 206 35.5 8.470 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8003 1612.7 8.5 scans 32% 124 m/z (71 136) 2.6% 0.0108% 4560 1.2 80 19166 1005994 898652 2-3 5: 124 137 180 168 138 0.874 30.81 383.3 66 90 88 93 180 19.8 6.185 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8918 1616.5 8.5 scans 62% 162 m/z (136) 0.92% 0.0331% 4574 0.9 144 55879 3063964 2894078 1-1 20: 162 111 69 141 163 95 55 91 148 103 110 101 145 105 51 39 63 97 75 65 0.940 30.88 0.5 72 72 50 86 204 5.1 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1834 1628.8 9.0 scans 72% 111 m/z 0.26% 0.0919% 4624 0.8 246 193300 8499036 7736395 2-1 20: 111 109 137 43 180 67 110 124 152 95 41 69 79 39 77 81 112 55 165 93 0.898 31.18 393.8 79 99 95 99 180 54.3 4.894 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3115 1634.2 9.4 scans 83% TIC 0.20% 0.408% 4646 0.9 495 251823 37733831 34755442 1-3 0.934 31.35 396.7 80 100 95 100 194 105.5 4.542 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5134 1642.7 9.1 scans 61% 43 m/z (120) 0.65% 0.0337% 4680 0.9 139 78956 3115636 2918142 2-1 19: 43 98 111 166 55 151 127 41 83 85 99 68 59 123 67 81 39 58 56 0.958 31.52 -0.0 92 96 93 95 166 30.5 4.810 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8759 1657.9 9.3 scans 76% 96 m/z (202) 0.54% 0.154% 4741 1.3 292 93924 14262172 13239087 2-2 20: 96 79 138 109 41 123 82 83 95 69 67 120 81 110 94 107 93 53 77 55 0.966 31.90 412.1 74 97 96 97 220 22.5 0.591 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0831 1666.6 6.8 scans 4.5% 221 m/z 1.4% 0.00812% 4777 1.1 79 36801 0.0101% 750688 664370 933099 5-2 14: 221 73 222 355 223 207 281 74 267 343 342 357 283 326 0.692 32.08 0.2 90 95 61 92 355 17.0 4.585 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1124 ? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1710 1670.3 8.9 scans 61% 109 m/z (219) 0.11% 0.403% 4791 1.0 484 439003 37296896 33694246 2-5 20: 109 43 163 191 206 107 137 91 93 121 77 135 149 105 147 136 119 164 39 110 0.651 32.20 420.0 76 99 74 98 206 86.4 3.182 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1122 ? Longipinocarvone 32.5589 1686.6 8.1 scans 79% 134 m/z 0.41% 0.154% 4857 1.0 334 123444 14286885 12990844 2-2 20: 134 69 91 41 135 79 93 133 77 107 92 105 175 119 67 109 53 108 39 147 0.943 32.60 430.4 79 100 96 99 218 15.5 0.215 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8369 1698.3 8.2 scans 74% 79 m/z (149) 0.84% 0.101% 4904 1.0 254 61087 9370725 8487992 2-1 20: 79 93 91 82 95 109 41 96 43 69 77 67 106 107 121 81 55 135 123 105 0.992 32.87 438.0 75 96 96 97 206 29.7 1.362 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9308 1702.2 7.6 scans 27% 71 m/z 0.54% 0.0115% 4920 0.9 101 93972 1065478 1023385 1-1 17: 71 123 43 111 138 159 155 243 56 72 235 173 83 124 42 73 89 0.631 32.93 -0.1 87 93 88 96 243 16.9 2.817 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0890 1708.9 8.8 scans 30% 83 m/z (109) 5.6% 0.0116% 4946 0.6 73 9211 1080102 949231 1-2 9: 83 97 70 55 56 84 85 98 167 0.887 33.09 0.2 85 94 89 93 224 4.8 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3116 1718.2 7.6 scans 58% 57 m/z (107) 0.63% 0.0385% 4985 0.9 161 80738 3561103 3230054 1-6 20: 57 71 85 43 41 55 99 69 56 70 154 84 42 98 127 141 58 169 140 112 0.885 33.37 -2.6 93 99 95 98 226 18.1 1.268 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8942 1728.3 7.3 scans 38% 71 m/z (149) 3.5% 0.00810% 5083 1.1 76 14390 748990 683144 7-1 19: 71 57 85 43 70 169 168 55 197 41 56 196 167 99 127 170 113 72 97 0.869 33.90 -0.0 76 82 85 88 197 13.9 3.361 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1132 Longifolenaldehyde 34.1221 1731.5 9.6 scans 93% 109 m/z 0.040% 1.31% 5122 0.7 879 1280593 121606872 115536508 3-1 20: 109 95 121 191 91 107 135 105 119 69 93 220 41 81 55 137 79 77 97 123 0.993 34.14 452.3 81 100 99 100 220 129.2 2.161 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4172 1735.7 6.9 scans 10% 73 m/z 0.67% 0.0273% 5172 1.0 147 76648 2527033 2417330 2-1 19: 73 355 221 281 356 401 357 327 402 282 415 267 328 222 326 358 403 283 74 0.855 34.39 452.7 75 96 76 95 415 20.3 1.908 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4456 1736.1 8.5 scans 79% 136 m/z (73) 0.10% 0.405% 5176 1.1 504 492805 37441899 35923559 1-1 20: 136 91 41 79 69 93 105 107 135 109 67 77 117 55 95 81 131 121 137 119 0.980 34.50 451.5 72 93 94 97 218 0.0 0.000 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5654 1737.9 9.0 scans 84% 69 m/z 0.15% 0.474% 5197 0.8 544 343526 43873739 40245036 1-2 20: 69 123 163 196 125 43 82 95 67 83 71 81 41 109 55 68 138 124 72 57 0.964 34.61 451.6 77 95 94 100 6 0.0 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7301 1740.2 9.9 scans 52% 91 m/z (109) 0.20% 0.102% 5225 1.0 231 247024 9481787 8795761 2-3 18: 91 155 199 90 65 184 92 89 44 120 63 134 64 156 137 62 154 50 0.949 34.79 451.2 76 99 94 99 199 67.8 8.619 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9078 1742.8 15.3 scans 31% 69 m/z (43) 2.8% 0.0233% 5254 2.1 94 18262 2157607 2034715 1-0 15: 69 126 97 82 143 112 224 111 185 84 55 98 56 70 176 0.838 34.90 0.1 77 84 77 90 224 12.6 1.791 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1206 ?? Spathulenol 35.3618 1749.2 9.5 scans 77% 93 m/z (218) 0.93% 0.183% 5331 1.2 301 55293 16973773 15250401 3-2 20: 93 79 95 91 109 41 81 55 107 105 92 131 67 121 77 123 82 108 149 96 0.931 32.67 57.7 66 75 79 83 220 12.2 0.164 2.687 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6268 1753.0 8.7 scans 75% 71 m/z (208) 0.10% 0.465% 5377 0.8 519 503798 0.562% 42966778 39293241 51920981 0-8 19: 71 97 83 69 191 43 55 81 41 67 95 57 137 82 153 177 72 123 206 0.924 35.70 450.3 74 97 86 95 224 25.5 0.000 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5950 1766.9 7.1 scans 41% 221 m/z 0.67% 0.0319% 5540 1.0 159 76268 2949516 2707991 2-1 20: 221 73 147 295 207 281 222 369 341 223 296 148 163 282 297 208 370 191 355 327 0.900 36.58 450.4 75 97 88 96 369 26.3 2.746 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6912 1768.3 8.9 scans 83% 109 m/z 0.094% 0.381% 5557 0.8 502 543526 35283899 32801619 8-1 20: 109 220 43 135 123 124 91 205 81 97 69 79 221 41 121 107 149 77 95 136 0.972 36.70 449.8 80 100 98 100 220 166.9 11.075 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2225 1775.9 8.0 scans 73% 209 m/z 0.10% 0.159% 5647 0.9 334 484684 14703305 13971085 2-1 20: 209 224 181 210 165 167 178 105 166 179 225 103 91 194 77 193 115 152 119 97 0.915 37.20 449.6 79 99 94 99 224 105.8 10.057 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3105 1777.1 8.6 scans 20% 71 m/z 2.1% 0.00425% 5662 0.7 80 23952 392904 336631 1-1 18: 71 57 113 84 211 155 126 86 239 70 69 141 170 112 197 41 58 212 0.682 38.91 -22.9 73 79 61 76 254 1.9 0.000 -1.600 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9763 1786.6 9.2 scans 87% 109 m/z 0.17% 0.474% 5775 0.7 542 290747 43826988 41834075 3-1 20: 109 177 95 192 43 97 69 84 81 123 41 107 71 238 87 55 121 93 83 67 0.974 37.98 448.0 76 94 92 100 238 77.0 2.018 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0619 1787.9 9.2 scans 39% 57 m/z (109) 1.2% 0.0232% 5789 1.5 113 42963 2150905 1921337 0-5 18: 57 71 85 56 225 43 99 113 224 155 41 55 127 169 141 196 157 197 0.913 38.06 448.2 67 92 87 92 225 23.5 4.303 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6688 1796.6 21.7 scans 45% TIC 0.70% 0.0297% 5892 0.7 147 73151 0.0521% 2744060 2559985 4813315 1-0 0.853 38.59 448.5 78 98 88 98 429 44.5 9.142 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1018 ? Neophytadiene 39.8861 1921.0 >12 scans 84% 194 m/z 0.018% 3.07% 6098 0.1 1398 2733056 283901547 283901547 0-0 4: 194 236 37 164 0.996 39.94 551.9 79 99 99 99 278 68.9 0.243 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N479_R~1-N1176 ? Neophytadiene 39.9268 1926.1 8.0 scans 0.010% 248 m/z 11% 0.000361% 6105 0.9 17 4553 0.000458% 33374 31730 42313 3-0 2: 248 233 0.435 39.94 -0.9 73 100 100 100 278 10.4 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N406_R~1-N1110 Phytol 40.5526 2003.6 8.1 scans 90% 81 m/z (221) 0.035% 1.73% 6211 0.5 1053 1456015 160057825 143611864 7-10 20: 81 82 95 68 123 57 69 43 79 83 67 55 41 124 71 96 97 109 111 110 0.995 40.66 -13.6 97 98 99 99 278 126.5 1.442 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1254 Phytol 40.9374 2051.4 8.7 scans 78% 82 m/z (191) 0.14% 0.430% 6276 1.0 510 363583 39808177 36851271 2-1 20: 82 81 95 123 68 57 43 79 67 96 71 41 109 124 278 85 110 53 137 94 0.979 40.87 8.7 96 98 97 98 278 67.9 1.774 0.070 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1148 ? UNK 40.98min 41.0402 2064.1 10.3 scans 56% TIC 0.12% 0.0832% 6294 0.9 276 412426 7692272 7268377 0-1 0.892 40.98 678.6 78 98 87 99 260 38.3 1.931 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.1830 2081.8 10.2 scans 66% 109 m/z (93) 0.33% 0.265% 6318 1.4 353 153342 24519944 23370959 1-1 20: 109 191 262 81 95 123 43 177 121 229 107 71 137 79 135 67 91 149 263 192 0.945 41.13 694.0 75 98 89 97 262 75.7 4.592 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3767 2105.8 13.2 scans 77% 191 m/z 0.047% 0.523% 6351 1.1 496 1093664 48351107 45807384 2-1 20: 191 121 192 43 135 119 93 107 91 95 189 109 79 80 136 149 55 108 77 69 0.943 41.29 715.4 79 99 95 98 229 39.9 0.646 0.086 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4959 2119.7 8.2 scans 67% 205 m/z (268) 0.67% 0.0981% 6371 0.9 251 76676 9068340 8535384 0-2 20: 205 217 57 175 220 177 189 232 261 55 192 203 91 233 161 178 219 176 77 67 0.947 41.49 -76.9 80 96 92 97 276 16.6 0.438 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7332 2133.0 9.2 scans 87% TIC 0.016% 1.76% 6411 0.4 1018 3102047 163435350 149878524 2-2 0.962 41.75 735.5 73 92 94 92 272 0.0 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0366 2150.1 7.9 scans 83% TIC 0.068% 0.286% 6462 1.1 468 753109 26484686 25050653 1-1 0.964 42.01 748.1 78 98 94 97 272 10.8 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3413 2167.2 7.1 scans 38% 73 m/z (121) 1.0% 0.0203% 6514 1.1 122 47015 1884140 1801951 1-4 20: 73 147 281 221 355 429 503 282 207 341 430 222 356 431 74 505 295 148 415 267 0.850 42.37 758.2 72 97 91 98 503 20.7 2.878 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 42.7102 2187.9 9.8 scans 9.4% 149 m/z (134) 0.62% 0.0149% 6576 1.3 81 82029 1379873 1153395 9-3 5: 149 104 223 76 227 0.607 40.31 813.0 65 94 72 93 223 15.8 3.784 2.405 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9334 2200.4 9.5 scans 31% 148 m/z (69) 0.99% 0.0282% 6615 1.0 126 51874 2614081 2440088 2-0 8: 148 133 190 106 120 149 146 174 0.917 42.90 1.7 89 94 74 92 272 14.3 1.289 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0260 2205.6 8.1 scans 59% 82 m/z (190) 0.062% 0.245% 6630 1.0 397 823136 22687855 20909757 2-3 9: 82 81 95 292 96 94 137 138 293 0.941 43.03 783.5 72 96 95 96 292 49.0 1.519 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1943 2215.1 10.1 scans 20% TIC 2.2% 0.0161% 6659 0.9 115 22645 1488735 1436496 1-1 0.347 43.15 2.3 83 87 33 84 272 32.0 7.806 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N406_R~1-N1112 Phyllocladene 43.1966 2215.2 8.9 scans 17% 187 m/z 1.7% 0.0146% 6659 0.9 106 29126 1353398 1266141 2-1 16: 187 70 272 69 134 105 161 119 41 93 91 81 111 188 79 139 0.320 43.24 -2.2 81 87 29 84 272 32.1 9.128 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.3094 2221.5 8.5 scans 54% 119 m/z (246) 1.7% 0.0487% 6678 1.2 173 28668 4499434 4222973 1-2 20: 119 108 133 93 161 105 159 107 91 120 121 189 134 186 106 81 79 273 77 187 0.900 42.99 17.9 67 70 71 77 272 15.6 0.817 0.319 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1244 ?? Diterpene 43.4min RI2229 43.4458 2229.2 9.4 scans 16% 260 m/z (136) 4.9% 0.0116% 6701 0.8 76 10404 1076291 1076291 0-0 11: 260 191 119 217 124 227 145 108 187 164 120 0.681 43.44 0.5 63 73 46 82 272 5.4 0.503 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5680 2236.0 9.1 scans 53% 79 m/z (73) 2.0% 0.0518% 6722 1.3 168 25248 4787680 4309257 1-2 19: 79 81 257 91 95 69 55 135 216 119 105 107 134 272 41 77 201 273 93 0.937 43.55 0.8 90 94 91 96 272 20.2 1.448 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N419_R~1-N1158 ?? Manool oxide 43.8106 2249.7 8.6 scans 20% 275 m/z (98) 4.9% 0.0104% 6763 1.0 79 10405 961742 849415 3-1 9: 275 257 177 192 178 191 258 276 193 0.831 43.83 812.1 66 91 69 90 275 25.4 10.328 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1238 ?? Trachylobane 44.1713 2270.2 9.0 scans 39% 135 m/z (191) 1.2% 0.0362% 6824 0.8 144 40758 3352274 2997762 1-1 10: 135 122 149 136 190 145 118 276 277 150 0.919 44.15 0.9 60 64 66 69 272 6.2 0.184 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.2769 2276.3 7.4 scans 55% 221 m/z 0.27% 0.0819% 6842 1.1 247 188192 7574373 7031587 2-3 20: 221 73 147 295 281 207 369 222 296 355 223 297 370 148 282 341 74 208 283 267 0.901 40.63 896.2 72 93 89 98 369 46.0 3.456 3.644 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1234 ?? Thunbergol 44.3124 2278.4 8.9 scans 62% 43 m/z (221) 0.45% 0.0937% 6848 0.8 236 114274 8656935 8069516 2-1 20: 43 109 95 79 93 107 121 81 94 135 108 220 69 162 55 41 111 67 82 125 0.955 44.90 -33.8 63 71 81 72 272 2.0 0.000 -0.589 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5774 2293.6 9.9 scans 14% 191 m/z (137) 4.4% 0.0109% 6892 0.4 65 11630 1011730 900813 0-2 5: 191 286 192 66 287 0.559 44.55 1.4 82 95 58 91 272 6.7 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0733 2322.1 7.6 scans 56% 191 m/z (292) 1.4% 0.0359% 6977 1.0 162 35887 3318742 3318742 0-0 20: 191 123 82 137 273 125 69 109 93 121 67 96 79 136 55 206 91 41 149 107 0.955 45.56 -28.3 73 78 85 79 290 4.2 0.000 -0.490 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1156 ? Sclareolide 45.6064 2352.8 11.4 scans 82% 123 m/z (191) 0.11% 0.922% 7067 0.4 641 455413 85181512 78689225 2-2 20: 123 125 82 124 95 109 81 67 43 69 137 235 68 41 55 136 96 207 121 79 0.949 45.58 880.8 72 93 88 98 290 25.7 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7835 2363.0 7.5 scans 14% 73 m/z (177) 1.9% 0.0123% 7097 1.2 91 26433 1144726 1077815 3-2 18: 73 221 281 355 356 357 295 222 430 341 223 277 401 267 74 278 503 343 0.741 45.78 0.4 87 93 76 91 503 9.2 1.002 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1230 ?? C18:3-butanoate 46.1182 2382.3 9.3 scans 76% TIC 0.41% 0.135% 7154 1.2 318 125322 0.191% 12486019 12029375 17645743 1-0 0.945 46.13 -0.9 66 57 82 92 292 19.3 0.369 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.4417 2400.9 10.1 scans 47% 137 m/z (119) 0.087% 0.785% 7209 0.5 608 587100 72553325 64509639 3-6 17: 137 69 109 95 81 217 71 121 235 55 123 107 41 67 135 125 83 0.623 46.86 -24.0 64 74 61 72 290 7.8 0.000 -0.417 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7723 2419.9 7.9 scans 19% 74 m/z (289) 1.2% 0.0150% 7264 1.0 99 40791 1389231 1283066 5-7 13: 74 87 75 255 298 143 101 59 267 256 88 213 299 0.900 46.76 924.8 68 94 81 93 298 21.9 4.900 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1152 ? UNK 47.18min 47.1306 2440.6 9.1 scans 73% 109 m/z (203) 0.13% 0.295% 7325 0.8 403 382946 0.314% 27300675 25578210 29009231 0-2 14: 109 43 95 81 123 235 93 137 127 111 79 217 124 278 0.986 47.18 936.2 78 99 98 99 278 39.7 0.970 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1264 ? Sclareol 46.5min 47.2593 2448.0 >10 scans 11% 177 m/z 0.99% 0.0100% 7345 8.7 84 51609 932796 875206 0-1 6: 177 291 196 113 290 221 0.121 46.49 44.0 78 94 22 90 290 14.5 2.990 0.764 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1226 Sclareol 47.42min 47.2593 2448.0 >10 scans 60% 177 m/z (110 257) 0.98% 0.0639% 7345 8.7 189 52186 5907790 5543048 0-1 6: 177 291 196 113 290 221 0.930 47.42 -9.1 86 90 91 92 290 15.5 0.669 -0.159 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2894 2449.7 9.1 scans 77% 134 m/z (177) 0.25% 0.201% 7352 0.8 340 198600 18631587 17526235 3-1 20: 134 119 84 81 191 69 95 79 135 93 109 55 178 123 43 121 107 41 148 105 0.989 47.36 -3.8 98 99 98 99 272 33.4 0.966 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9352 2486.9 10.0 scans 64% TIC 0.89% 0.112% 7462 1.3 259 57500 0.154% 10374472 9734457 14227457 8-0 0.736 47.95 -0.7 80 83 73 85 272 21.4 0.680 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1150 ?? UNK 46.46min 48.0025 2490.7 >8 scans 64% TIC 0.37% 0.0423% 7473 1.4 196 139395 0.134% 3908188 3709617 12379736 0-1 0.931 46.47 1001.4 68 86 80 96 235 32.8 2.807 1.538 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN N407_R~1-N1154 UNK 48.48min 48.4730 2517.8 9.7 scans 93% 148 m/z 0.025% 0.885% 7553 0.7 715 2042898 81778965 75766966 3-2 20: 148 95 149 133 147 69 109 161 108 43 41 96 162 55 67 178 121 71 79 107 0.992 48.48 979.6 81 100 99 100 286 91.3 1.630 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9287 2544.1 7.7 scans 46% 73 m/z (131) 2.3% 0.00924% 7630 1.0 81 21647 854206 815420 1-3 18: 73 147 429 355 221 281 356 430 295 357 431 148 267 265 415 296 358 401 0.818 48.95 993.7 70 97 85 98 429 23.5 8.467 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8119 2652.4 7.9 scans 30% 221 m/z 4.0% 0.00419% 7949 1.1 55 12712 387759 359937 1-3 17: 221 73 147 369 149 222 295 281 296 371 355 370 356 297 267 74 282 0.698 44.32 1205.1 66 95 66 93 369 15.0 7.358 6.492 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8444 2711.8 8.0 scans 39% 73 m/z 2.8% 0.00651% 8124 1.0 67 18365 602071 546683 2-5 19: 73 147 221 355 281 356 282 503 430 222 357 401 341 429 431 148 415 399 505 0.678 51.86 1080.9 73 95 65 93 503 11.7 3.034 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1030 Pentacosane 54.6614 2873.9 8.7 scans 77% 57 m/z (73) 0.77% 0.0414% 8601 1.3 153 66419 3824783 3423115 3-5 20: 57 71 85 43 55 99 41 69 113 83 97 70 56 98 141 224 155 84 111 112 0.936 54.79 -7.4 91 95 90 93 352 10.6 0.000 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP5.FIN HCMIX_~1-N1034 Heptacosane 59.7879 3168.8 13.0 scans 53% TIC 2.7% 0.0107% 9469 1.1 71 18834 993449 894343 5-2 0.715 59.97 -10.3 81 86 65 80 380 5.1 0.000 -0.179 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0667 770.1 7.9 scans 66% 77 m/z 0.12% 0.0703% 30 3.4 202 380867 5262205 4793808 1-2 16: 77 45 78 79 62 76 59 75 84 47 63 92 61 46 56 64 0.926 4.37 16.1 99 98 98 100 77 171.9 72.254 -0.304 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1016 ?? Pivalic acid 6.1677 824.8 9.8 scans 43% 57 m/z (92 44) 1.9% 0.00671% 386 0.4 59 24171 0.0121% 502000 457182 905010 3-0 6: 57 41 39 53 59 56 0.832 6.03 -136.8 64 96 85 94 102 4.5 0.000 0.135 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1014 ?? Contamination 6.52min 7.2439 852.8 >5 scans 9.3% 207 m/z 4.6% 0.00107% 569 5.3 35 10004 80132 74678 0-2 4: 207 133 191 208 0.733 6.53 -124.0 69 94 70 93 207 27.9 64.317 0.716 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6772 864.1 9.5 scans 69% 69 m/z (96) 3.8% 0.0134% 642 1.9 90 11909 0.0231% 1003297 962917 1727747 1-0 17: 69 83 55 41 39 98 57 70 53 81 79 65 50 54 38 84 63 0.960 7.71 8.8 96 99 96 98 98 21.8 5.902 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1016 ?? Nonanal 12.8125 997.8 >7 scans 31% TIC 4.0% 0.00301% 1512 0.2 58 11448 225162 200252 5-0 0.679 16.82 -24.6 61 68 41 70 124 6.5 0.000 -4.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 12.9707 1002.0 >12 scans 14% 282 m/z (45) 3.3% 0.00482% 1538 999.0 60 13930 0.0252% 361090 313939 1884814 0-4 11: 282 283 251 250 193 265 118 208 76 267 284 0.415 12.22 55.7 77 89 58 94 281 32.9 30.247 0.751 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1022 ?? Octanal 13.5634 1018.1 8.1 scans 54% 109 m/z (80) 4.7% 0.0122% 1639 1.2 85 9727 919756 803694 1-5 16: 109 57 41 84 56 55 44 67 69 68 39 85 42 82 53 110 0.922 12.96 -156.7 69 94 87 98 110 8.5 0.000 0.608 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.8426 1025.6 9.9 scans 78% 81 m/z 0.42% 0.0424% 1686 2.0 144 108517 3175683 2997200 1-2 20: 81 110 53 79 67 39 41 68 51 65 77 95 66 50 54 38 55 40 69 80 0.931 13.22 62.0 85 96 92 97 110 38.5 7.204 0.621 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1016 Limonene 14.4477 1042.0 8.1 scans 59% 68 m/z 1.0% 0.0298% 1789 1.2 141 43121 2236205 2084171 1-2 20: 68 93 67 79 136 121 94 92 53 107 91 77 41 80 124 81 95 123 51 69 0.771 13.89 66.7 83 96 79 98 136 30.7 4.731 0.556 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6248 1046.8 10.0 scans 93% 79 m/z 0.067% 0.505% 1819 1.1 499 682689 37832026 34463602 2-5 20: 79 108 107 77 51 91 78 50 80 90 89 39 63 65 53 52 105 74 62 38 0.990 14.11 67.8 89 100 100 100 108 220.2 19.466 0.516 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9436 1055.5 9.4 scans 71% 91 m/z 0.38% 0.0328% 1873 1.6 134 119650 2454382 2225514 2-3 18: 91 120 92 65 63 39 121 89 51 90 62 64 74 50 122 87 52 61 0.920 14.44 70.7 86 98 91 98 120 45.4 11.538 0.502 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6142 1073.6 11.3 scans 90% 105 m/z 0.13% 0.149% 1986 1.2 279 340144 0.226% 11173457 10729495 16903494 2-0 20: 105 77 123 51 46 106 50 78 74 52 66 79 73 64 38 39 53 49 40 37 0.992 15.17 76.2 84 96 96 98 123 98.3 12.371 0.444 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN 98-86-2 ? Acetophenone 15.6945 1075.8 >12 scans 77% TIC 0.19% 0.0777% 2000 1.2 221 232870 0.167% 5813317 5451880 12490635 0-2 0.961 15.29 -169.9 79 99 96 99 120 74.0 11.169 0.401 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.6809 1104.0 9.5 scans 33% 95 m/z (44) 2.9% 0.00721% 2167 1.8 60 15505 539716 482829 4-2 5: 95 124 81 79 109 0.685 15.43 102.3 70 96 83 98 124 16.7 7.790 1.248 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0918 1121.3 8.4 scans 83% 57 m/z (85) 0.49% 0.119% 2237 1.1 265 92830 8973614 7778266 7-5 19: 57 41 43 69 56 55 98 70 44 82 68 95 96 67 39 71 42 83 54 0.936 16.82 -170.1 74 97 96 97 124 20.9 0.000 0.277 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 17.2069 1126.2 7.1 scans 11% 82 m/z (101) 8.7% 0.000992% 2256 1.9 28 5280 74215 73702 1-0 6: 82 81 54 109 121 39 0.814 19.12 69.1 62 82 66 81 97 3.0 0.000 -1.914 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3539 1132.4 9.6 scans 81% 91 m/z 0.15% 0.123% 2281 1.5 260 292591 9252640 8208746 5-3 20: 91 92 93 122 77 65 78 121 51 39 63 89 136 43 94 103 85 50 123 104 0.969 17.05 106.4 71 90 88 93 122 72.5 7.805 0.302 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1024 ? p-Cymene 17.9661 1158.3 8.0 scans 33% 91 m/z (129) 9.4% 0.00314% 2385 1.2 43 4901 235396 211090 5-2 8: 91 119 39 92 105 115 65 78 0.705 13.76 -41.2 76 89 76 89 134 15.5 12.994 4.209 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2955 1172.2 10.8 scans 49% 73 m/z 1.1% 0.0183% 2441 1.4 100 40382 1372150 1284782 2-2 16: 73 267 355 179 237 74 358 191 251 193 357 356 75 177 249 205 0.803 18.13 -159.5 77 98 77 97 355 43.1 18.531 0.164 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1078 ?? 2-Nonenal 19.0381 1203.5 9.3 scans 39% 70 m/z 4.0% 0.00933% 2566 1.1 79 11476 697923 630271 2-3 17: 70 41 83 69 57 56 39 84 96 81 53 42 93 68 80 58 54 0.639 18.83 150.8 68 96 67 94 122 3.0 0.000 0.208 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.3776 1217.9 13.0 scans 45% 122 m/z (55) 1.3% 0.0256% 2624 0.5 102 35045 1917318 1799426 2-1 20: 122 77 139 56 51 154 106 70 50 76 42 78 94 38 66 123 37 49 41 121 0.875 20.03 147.2 72 94 86 96 122 49.0 23.053 -0.651 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.9897 1243.7 9.0 scans 18% 45 m/z (119) 4.9% 0.00413% 2728 1.5 49 9340 309343 290908 3-1 2: 45 57 0.841 19.81 176.2 63 92 73 90 144 0.0 0.000 0.176 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1004 ? Dodecane 20.4703 1262.2 12.1 scans 21% 57 m/z (107) 8.4% 0.00378% 2809 0.9 41 5477 283379 266623 2-3 7: 57 41 43 85 56 84 42 0.561 20.32 4.5 73 94 75 89 170 4.3 0.000 0.150 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6657 1268.1 8.3 scans 80% 57 m/z 0.96% 0.0573% 2843 1.0 193 47685 4288511 3806262 4-3 20: 57 41 55 43 70 82 71 68 44 56 83 67 81 69 96 95 42 39 84 54 0.930 20.56 189.4 78 98 97 99 128 16.7 0.746 0.103 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1034 ? Decanal 20.6686 1268.2 8.4 scans 80% TIC 0.95% 0.0559% 2843 1.0 194 48537 4183890 3807464 2-2 0.923 20.57 -138.8 76 99 97 99 138 9.8 0.000 0.100 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.2719 1286.3 9.6 scans 5.0% 281 m/z 2.7% 0.00442% 2945 2.6 44 16805 331260 313583 2-0 10: 281 282 193 249 265 284 251 191 151 207 0.660 12.25 133.2 67 95 51 93 281 36.1 66.300 9.021 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.1586 1342.9 >18 scans 88% TIC 0.25% 0.259% 3265 0.1 305 180973 19406335 17694368 1-12 0.982 25.35 193.7 77 95 94 99 162 0.0 0.000 -2.195 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.1592 1342.9 >19 scans 87% 73 m/z 0.25% 0.294% 3265 0.1 303 180274 22059784 18517384 3-11 20: 73 60 41 57 129 55 43 115 98 87 69 56 39 61 45 101 83 42 84 70 0.976 22.70 -132.4 76 94 93 99 158 20.4 0.452 0.463 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1006 ? Tridecane 23.8995 1365.3 9.2 scans 26% 57 m/z (72 111) 6.4% 0.00461% 3390 1.3 48 7113 345040 307043 2-3 6: 57 71 120 56 84 184 0.851 23.86 1.3 79 92 82 89 184 6.9 2.029 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1409 1373.3 6.9 scans 44% 73 m/z 0.67% 0.0232% 3431 1.1 136 68209 1735889 1637998 1-7 17: 73 341 429 325 342 147 343 430 140 431 327 344 207 326 74 125 75 0.798 24.17 -150.5 78 98 83 98 429 38.3 7.920 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7389 1393.3 8.2 scans 76% 43 m/z 0.68% 0.0438% 3532 1.0 176 67769 3280218 3022549 2-6 20: 43 69 83 41 55 142 58 85 56 70 113 111 39 71 67 57 127 68 143 93 0.898 24.70 253.7 68 87 83 97 170 5.5 0.000 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.4863 1418.3 11.4 scans 73% 84 m/z 0.28% 0.0738% 3659 1.9 188 164527 5521802 5280590 1-3 20: 84 133 162 161 42 119 118 130 85 82 93 78 65 51 105 174 63 163 91 134 0.859 25.89 261.3 73 94 82 94 162 49.3 6.877 -0.406 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1112 ? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0459 1470.4 8.1 scans 86% 136 m/z 0.35% 0.167% 3923 1.0 345 128320 12560862 11832669 2-2 20: 136 121 43 69 93 161 109 176 41 95 107 79 81 67 91 123 77 55 105 179 0.972 27.02 297.0 79 99 97 99 208 0.0 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1215 1472.9 6.5 scans 17% 221 m/z 8.0% 0.00177% 3936 1.0 39 5772 0.00194% 132700 117254 145101 4-2 8: 221 73 147 281 355 222 165 267 0.738 27.12 298.0 64 89 65 86 355 9.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1971 1475.4 7.7 scans 75% 57 m/z (170) 0.74% 0.0320% 3949 1.2 146 62072 0.0416% 2400575 2208801 3111440 2-0 19: 57 71 85 43 41 56 99 55 70 198 42 84 113 98 141 127 112 83 39 0.987 27.21 -0.4 96 98 96 98 198 17.9 1.501 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1032 Myosmine 27.9905 1505.2 10.7 scans 92% 118 m/z 0.056% 0.508% 4083 1.1 510 814502 38058937 35447012 2-3 20: 118 146 145 105 78 51 119 104 147 91 117 41 63 65 39 42 77 64 50 76 0.992 27.93 318.5 80 100 99 100 146 217.4 18.144 0.059 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6782 1531.0 8.1 scans 90% 43 m/z 0.089% 0.267% 4200 0.9 431 516214 20010621 18862171 2-8 20: 43 69 41 151 107 136 67 125 93 109 39 83 53 68 81 121 55 79 108 91 0.983 28.67 333.6 79 99 98 99 194 27.3 0.403 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1021 1547.0 7.6 scans 61% 71 m/z (165) 0.88% 0.0349% 4271 1.5 152 52369 0.0467% 2614430 2447478 3492890 1-0 20: 71 57 85 43 41 141 70 113 56 99 112 55 84 179 42 140 72 127 207 161 0.926 29.10 343.1 67 92 89 90 227 2.8 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5365 1563.3 7.0 scans 39% 73 m/z 0.72% 0.0248% 4345 1.0 141 63713 1861390 1766895 1-2 20: 73 281 147 327 282 415 283 341 503 221 328 74 148 416 251 504 343 342 149 191 0.843 29.61 -149.8 77 98 84 97 503 21.0 2.226 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6629 1568.1 9.2 scans 65% TIC 0.20% 0.0896% 4366 0.7 245 223433 6703081 6351720 2-1 0.831 29.68 355.6 70 90 76 90 192 29.1 1.406 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7650 1571.9 >8 scans 47% TIC 0.52% 0.00953% 4384 1.1 115 88556 712781 660120 0-1 0.813 29.77 357.9 74 96 83 95 193 10.9 0.896 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8547 1575.3 8.5 scans 71% 105 m/z 0.35% 0.0789% 4399 1.0 231 129001 5905440 5582666 1-2 20: 105 91 161 93 107 121 133 79 119 94 204 77 106 147 189 80 124 95 81 148 0.922 29.85 360.2 79 99 92 99 204 36.2 2.449 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3329 1593.2 8.5 scans 34% 57 m/z (106) 1.9% 0.0157% 4480 1.2 89 23970 1180687 868177 1-4 16: 57 71 43 85 56 99 154 42 98 212 139 70 140 126 86 100 0.929 30.38 -1.7 83 90 86 88 212 12.1 1.849 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5254 1601.1 7.6 scans 64% 191 m/z (202) 0.21% 0.0528% 4512 1.1 190 218479 3953612 3682083 2-3 11: 191 206 192 57 74 163 175 161 66 88 193 0.962 30.50 376.3 77 99 94 99 206 51.1 7.204 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8123 1613.2 >10 scans 18% 125 m/z (85) 3.6% 0.00717% 4561 999.0 65 12754 0.0131% 536458 536458 979804 0-0 9: 125 169 165 123 55 54 139 153 96 0.829 30.81 383.8 61 88 64 89 180 15.7 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.9055 1617.1 9.1 scans 72% 162 m/z (90) 0.66% 0.0548% 4577 1.2 174 69627 0.0599% 4105674 3645131 4480174 1-5 20: 162 147 161 111 69 99 141 163 91 77 148 115 105 51 55 79 145 102 160 133 0.939 30.88 1.1 77 78 58 89 204 9.7 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2019 1629.6 9.1 scans 70% TIC 0.35% 0.0716% 4627 0.9 226 131196 5358943 4859876 2-1 0.935 31.18 394.6 78 98 94 99 180 48.9 4.674 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1130 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3282 1634.9 9.3 scans 86% TIC 0.25% 0.379% 4648 0.9 479 181770 28375350 26480593 1-3 0.945 31.35 397.4 80 100 97 100 194 99.4 4.311 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5207 1643.0 9.3 scans 52% 43 m/z (167) 1.2% 0.0218% 4681 1.0 112 35733 1635168 1516758 1-1 20: 43 98 111 166 157 82 85 41 127 67 57 107 59 69 84 99 39 68 123 113 0.923 31.52 0.3 90 96 92 95 166 21.7 3.758 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1128 ? Caryophyllene oxide 31.8908 1658.5 9.1 scans 77% 96 m/z (202) 0.55% 0.164% 4744 1.2 310 83753 12301217 11635591 2-3 19: 96 79 138 109 41 123 69 82 67 95 83 81 120 110 94 77 107 93 53 0.969 31.90 412.7 74 97 96 97 220 23.1 0.555 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.0773 1666.4 9.5 scans 66% 79 m/z (341) 0.36% 0.322% 4775 0.8 421 127543 24092535 21797295 3-1 20: 79 96 138 41 109 123 82 120 67 77 94 107 91 93 121 53 105 110 122 131 0.776 32.12 417.4 63 92 74 93 192 54.6 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1124 ?? 4-(1,3,3-Trimethyl-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one 32.1812 1670.7 9.0 scans 54% 109 m/z (60) 0.16% 0.285% 4793 1.1 408 276488 21347027 19573033 1-5 20: 109 43 163 191 206 107 91 137 79 93 121 77 105 149 147 119 136 164 39 110 0.862 32.20 420.4 69 95 75 91 206 78.6 3.717 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2350 1673.0 8.9 scans 9.1% 57 m/z (123 109) 1.7% 0.0107% 4802 0.7 78 26928 805902 730586 1-0 6: 57 182 211 127 184 210 0.586 32.24 -0.1 73 86 46 82 226 5.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4351 1681.4 10.2 scans 29% 57 m/z (69) 2.3% 0.0191% 4836 1.0 99 19652 0.0316% 1434404 1341656 2363497 0-1 18: 57 85 71 145 197 196 168 99 113 43 160 159 42 104 54 112 198 97 0.484 32.44 -0.3 72 88 75 92 226 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1122 ? Longipinocarvone 32.5691 1687.0 8.2 scans 80% 134 m/z 0.51% 0.141% 4859 0.9 322 89102 10550067 9885497 2-1 20: 134 69 91 41 79 135 93 133 107 77 105 92 175 67 119 53 109 39 121 95 0.950 32.60 430.8 79 99 93 99 218 14.6 0.206 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1120 ? Caryophyllene oxide 32.8477 1698.7 8.7 scans 71% 79 m/z (149) 1.0% 0.0940% 4906 1.2 240 44252 0.104% 7036770 6704628 7778599 1-0 20: 79 93 91 41 82 95 109 96 69 107 67 77 43 55 106 121 81 135 105 110 0.973 32.87 438.4 74 97 95 96 206 29.7 1.528 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1210 ?? Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9374 1702.5 7.5 scans 24% 71 m/z 0.89% 0.00830% 4921 0.9 90 51559 621326 565008 1-1 19: 71 43 111 138 159 155 173 124 219 234 56 143 243 83 72 196 135 109 39 0.588 32.93 0.2 66 67 74 92 243 13.1 2.121 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0962 1709.2 8.3 scans 29% 83 m/z (79) 5.3% 0.0114% 4947 0.5 81 8609 858281 817901 0-1 5: 83 84 57 88 224 0.852 33.09 0.5 81 90 85 93 224 5.6 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3141 1718.3 7.6 scans 68% 57 m/z (83) 0.40% 0.0669% 4985 1.0 209 115445 5004089 4381702 9-6 18: 57 71 43 85 41 55 99 56 70 113 226 84 98 42 112 58 72 126 0.976 33.37 -2.5 96 99 95 98 226 23.6 1.280 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8979 1728.3 7.5 scans 30% 71 m/z (192) 4.7% 0.00593% 5083 1.1 65 9752 444045 407791 6-1 18: 71 57 70 43 85 197 196 99 41 113 169 167 42 127 140 72 168 112 0.823 33.90 0.0 85 97 86 94 197 12.1 3.459 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1132 Longifolenaldehyde 34.1222 1731.5 9.0 scans 92% 109 m/z 0.056% 0.980% 5122 0.7 782 817478 73345769 69254356 4-1 20: 109 95 121 91 107 191 135 105 119 41 93 81 220 55 79 77 137 97 67 192 0.989 34.14 452.3 81 100 100 100 220 111.8 2.044 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4233 1735.8 8.5 scans 67% 73 m/z 0.043% 0.636% 5173 1.0 647 1062635 47599821 45147345 2-2 20: 73 355 147 221 281 401 357 222 282 74 327 267 415 148 283 223 403 358 385 75 0.984 34.39 452.8 79 99 95 99 415 70.5 1.188 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1134 ? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4499 1736.2 8.5 scans 54% 136 m/z (73) 0.12% 0.359% 5178 1.0 483 362689 26921893 26732797 0-1 20: 136 91 41 79 69 93 105 107 77 135 67 109 55 81 95 137 119 121 53 39 0.977 34.50 451.6 72 94 96 97 218 0.0 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5727 1738.0 9.2 scans 88% 69 m/z 0.16% 0.486% 5198 0.7 552 281626 36395642 34970674 1-2 20: 69 123 163 196 43 125 82 95 67 83 71 81 41 55 68 138 122 72 124 57 0.983 34.61 451.7 76 94 94 100 6 0.0 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7503 1740.5 9.6 scans 61% 91 m/z (109) 0.12% 0.182% 5228 0.7 314 366148 13614599 12562226 3-4 20: 91 155 199 90 65 184 92 89 120 44 137 63 39 106 200 51 64 156 134 185 0.964 34.79 451.5 76 99 95 98 199 89.8 8.155 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9068 1742.7 8.2 scans 38% 68 m/z (149) 2.7% 0.0210% 5255 1.1 110 16675 1577023 1451368 1-2 6: 68 98 154 224 126 185 0.899 34.90 0.0 78 81 77 90 224 12.9 1.384 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1138 ? Nonenylsuccinic anhydride 35.6293 1753.1 8.8 scans 79% 71 m/z (181) 0.15% 0.359% 5377 0.9 460 300527 0.514% 26855850 24191991 38444231 1-8 20: 71 97 83 69 43 55 191 81 67 41 57 95 137 82 109 72 177 123 121 206 0.969 35.70 450.4 76 97 93 97 224 24.4 0.281 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 36.1063 1759.9 11.1 scans 36% 85 m/z (163) 0.93% 0.0475% 5458 1.9 153 49339 3555525 3211231 1-3 14: 85 99 113 127 155 141 169 211 86 239 128 159 168 210 0.898 29.94 543.5 66 88 89 97 254 0.0 0.000 6.165 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5579 1766.4 6.9 scans 28% 221 m/z (163) 1.4% 0.0155% 5534 1.1 107 31520 1164111 1012699 7-1 18: 221 73 147 295 207 222 281 208 297 296 223 341 327 282 325 74 328 279 0.871 36.58 449.9 74 97 85 96 369 15.6 2.129 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1140 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6860 1768.2 8.7 scans 77% 109 m/z 0.19% 0.188% 5556 0.9 366 238872 14130914 13467045 2-1 20: 109 220 43 135 123 124 91 81 205 97 221 69 77 121 41 149 107 79 95 136 0.953 36.70 449.7 80 100 95 99 220 119.5 10.681 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2132 1775.7 8.1 scans 71% 209 m/z 0.12% 0.151% 5645 1.0 325 362093 11301914 10654208 2-2 20: 209 224 181 210 165 167 178 105 166 179 103 225 194 91 77 152 193 115 104 97 0.901 37.20 449.4 79 99 93 99 224 103.3 10.110 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.3018 1777.0 7.6 scans 28% 71 m/z (112 94) 2.6% 0.0123% 5661 1.2 96 17449 922278 922278 0-0 20: 71 57 43 99 85 113 126 84 127 169 70 140 141 155 42 211 100 69 210 55 0.931 38.91 -23.0 71 79 89 80 254 1.9 0.000 -1.608 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1142 ? Widdrol hydroxyether 37.9670 1786.5 9.0 scans 82% 109 m/z 0.27% 0.327% 5773 0.8 458 169627 24469525 23369262 3-1 20: 109 177 95 192 43 84 69 97 81 123 41 107 71 238 55 87 121 93 67 83 0.935 37.98 447.9 77 97 92 100 238 63.7 1.937 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0621 1787.9 9.1 scans 39% 57 m/z (195) 1.3% 0.0216% 5789 1.3 111 34196 1616730 1466877 0-3 17: 57 85 71 225 56 43 113 99 41 224 127 196 86 72 155 141 70 0.939 38.06 448.2 69 94 88 93 225 22.7 4.199 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.6436 1796.2 8.9 scans 87% 73 m/z 0.050% 0.530% 5887 1.0 576 907851 39664419 36981392 2-3 20: 73 147 221 429 355 430 207 341 222 74 148 401 357 282 342 325 75 149 327 432 0.979 38.59 448.1 80 99 98 99 429 149.0 6.698 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7676 1906.3 >5 scans 8.9% 167 m/z 0.27% 0.0818% 6078 0.2 281 170318 6119455 6119455 0-0 4: 167 181 100 37 0.087 40.66 525.8 68 91 14 89 278 48.5 2.988 -0.894 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8030 1910.7 >7 scans 83% 189 m/z 0.031% 1.75% 6084 0.2 1179 1477765 131133137 124087291 2-0 4: 189 76 50 100 0.998 39.94 541.6 80 100 100 100 278 69.8 0.350 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N406_R~1-N1110 Phytol 40.2847 1970.4 >19 scans 96% 95 m/z 0.010% 15.5% 6166 0.1 2104 4473184 1162647608 1046009255 2-2 20: 95 68 82 123 69 83 81 97 67 57 55 43 41 109 96 71 124 111 79 110 0.999 40.66 -46.8 85 91 96 91 278 116.5 0.307 -0.377 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5976 2009.2 7.1 scans 12% 221 m/z 1.7% 0.0109% 6219 0.9 93 26208 822068 772868 2-2 15: 221 73 147 295 207 222 281 296 355 223 282 74 369 370 148 0.828 40.63 629.1 72 97 78 95 369 15.7 2.893 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1254 Phytol 40.9299 2050.4 7.9 scans 83% TIC 0.32% 0.166% 6275 1.0 361 141100 12423850 11803036 1-1 0.972 40.87 7.7 99 98 96 98 278 43.7 1.463 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1148 ? UNK 40.98min 41.0397 2064.0 9.9 scans 37% 245 m/z 0.29% 0.0430% 6293 0.9 171 154197 3223583 3098236 1-1 17: 245 122 135 260 43 123 91 161 147 105 115 145 149 129 79 93 77 0.701 40.98 678.5 77 98 71 97 260 25.5 2.233 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.1826 2081.8 11.7 scans 67% 109 m/z (93) 0.53% 0.222% 6318 1.7 295 85755 16620711 15362435 1-2 20: 109 191 262 81 43 95 123 177 229 107 121 192 71 136 150 263 135 124 79 244 0.962 41.13 694.0 76 98 91 98 262 60.2 4.157 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.3798 2106.2 12.7 scans 75% 191 m/z 0.079% 0.334% 6352 0.9 416 580594 24981418 23420596 1-1 20: 191 80 119 121 192 43 93 105 135 91 107 95 189 79 109 136 149 55 108 77 0.963 41.29 715.8 78 97 90 98 229 31.3 0.566 0.089 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4931 2119.6 8.7 scans 75% TIC 0.43% 0.146% 6370 1.1 324 105501 10981629 9808945 1-4 0.916 41.49 -77.0 85 99 92 99 276 20.8 0.410 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 41.7180 2132.2 >10 scans 3.8% 245 m/z 0.88% 0.0548% 6408 0.0 202 52314 0.0806% 4103569 4103569 6028414 0-0 11: 245 71 128 171 244 206 99 153 49 73 140 0.043 42.40 -38.2 65 74 4 72 272 7.1 0.000 -0.681 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7393 2133.4 9.6 scans 93% 69 m/z (245) 0.016% 2.48% 6412 0.4 1187 2807345 186150529 174409301 3-2 20: 69 93 81 41 133 67 79 120 95 107 91 55 119 68 77 121 161 53 105 109 0.998 42.05 -17.2 82 83 82 84 272 63.4 0.285 -0.306 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7393 2133.4 9.6 scans 92% 69 m/z (231) 0.014% 2.47% 6412 0.4 1183 3277062 184791611 173136095 3-2 20: 69 93 81 41 133 67 79 120 95 107 91 55 119 68 77 121 161 53 105 109 0.997 41.75 735.9 77 99 98 99 272 49.2 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0297 2149.7 7.6 scans 60% TIC 0.33% 0.0463% 6461 1.2 221 139551 3464945 3358381 1-0 0.900 42.01 747.7 76 97 88 96 272 5.9 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3402 2167.1 7.6 scans 57% 73 m/z 0.44% 0.0461% 6514 1.0 185 103424 3451545 3360458 1-3 19: 73 147 281 221 355 207 429 341 503 283 74 222 430 265 504 431 342 282 343 0.920 42.37 758.1 76 97 91 99 503 26.1 2.002 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9311 2200.3 9.3 scans 18% 148 m/z (69) 3.6% 0.00793% 6614 1.0 68 12792 593657 532527 1-1 5: 148 133 272 190 257 0.823 42.90 1.6 82 89 66 87 272 9.3 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0256 2205.6 8.3 scans 72% 82 m/z (190) 0.043% 0.375% 6630 1.0 486 1066721 28102656 25553061 3-3 18: 82 81 95 43 83 41 109 55 57 96 292 94 53 67 137 108 135 138 0.965 43.03 783.5 75 98 96 97 292 57.6 1.405 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 43.1738 2213.9 10.6 scans 23% 83 m/z (59) 2.9% 0.0188% 6655 1.4 98 15505 1413179 1254294 1-2 18: 83 253 145 127 85 91 266 169 153 132 147 254 183 77 144 42 173 113 0.397 43.15 1.1 66 78 36 73 272 12.5 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.3096 2221.5 8.6 scans 49% 108 m/z (246) 2.8% 0.0343% 6678 1.2 144 15977 2572800 2383114 1-1 17: 108 119 133 93 163 147 105 161 91 107 134 288 106 149 189 274 80 0.880 42.99 17.9 66 72 70 77 272 12.6 0.761 0.320 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5634 2235.8 10.6 scans 32% 136 m/z (176) 4.3% 0.0191% 6721 2.0 95 10580 1431801 1341009 1-3 20: 136 81 79 216 119 202 133 91 187 135 77 68 146 134 147 123 94 109 111 137 0.739 43.55 0.6 77 89 71 86 272 10.0 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N419_R~1-N1158 ?? Manool oxide 43.8054 2249.4 8.8 scans 12% 257 m/z (69) 8.2% 0.00520% 6763 0.9 57 5579 388969 358955 1-1 4: 257 275 192 276 0.696 43.83 811.8 63 90 46 87 275 20.4 12.932 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1234 ?? Thunbergol 44.3107 2278.3 9.1 scans 61% 43 m/z (73) 0.75% 0.0609% 6848 0.8 188 60976 4556256 4125372 2-1 18: 43 109 95 93 79 121 81 217 107 94 69 108 134 41 220 162 152 67 0.954 44.90 -33.9 64 72 81 72 272 2.2 0.000 -0.590 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1236 ? Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.7806 2305.3 9.8 scans 27% 191 m/z (205) 3.0% 0.0123% 6927 1.0 82 15033 923573 854844 2-1 6: 191 271 192 136 80 162 0.551 44.55 13.1 71 84 53 84 272 2.8 0.000 0.228 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1232 ? Hydrocarbon 45.6min RI2350 three ring structure 45.0740 2322.2 7.1 scans 36% 191 m/z (254) 4.0% 0.0109% 6977 0.9 94 11364 821334 821334 0-0 20: 191 123 82 136 192 125 109 137 81 190 124 206 138 79 68 67 189 149 96 105 0.907 45.56 -28.2 72 80 77 79 290 3.8 0.000 -0.489 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1156 ?? Sclareolide 45.5977 2352.3 10.7 scans 83% 123 m/z (286) 0.15% 0.706% 7066 0.4 579 295045 52827061 49991040 2-2 16: 123 125 95 82 124 109 81 67 235 137 68 136 121 207 79 96 0.937 45.58 880.3 69 89 81 98 290 15.2 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7836 2363.0 7.9 scans 11% 73 m/z (177) 2.5% 0.00890% 7097 1.1 78 18117 665899 620851 2-2 16: 73 355 221 325 74 356 277 357 341 415 282 503 342 283 429 327 0.736 45.78 0.4 83 89 68 88 503 7.3 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1230 ?? C18:3-butanoate 45.9283 2371.3 >7 scans 49% TIC 1.3% 0.0176% 7122 0.8 145 34380 0.0499% 1321442 1237624 3732232 1-0 0.834 46.13 -11.9 62 66 55 74 292 5.6 0.000 -0.206 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1150 ? UNK 46.46min 46.4253 2399.9 9.4 scans 71% 191 m/z (119) 0.045% 0.673% 7206 0.7 596 1013909 50390087 44803800 6-7 14: 191 137 69 109 192 95 81 217 235 123 71 67 83 97 0.937 46.47 910.6 71 90 94 98 235 91.5 2.356 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1264 ? Sclareol 46.5min 46.6803 2414.6 9.8 scans 41% 177 m/z (152) 2.0% 0.0337% 7249 0.9 131 22180 2526844 2211165 5-1 20: 177 69 43 95 81 109 91 123 119 137 121 195 55 163 107 132 105 41 77 149 0.859 46.49 10.6 71 78 76 80 290 4.6 0.000 0.185 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1152 ? UNK 47.18min 47.1249 2440.2 9.5 scans 82% TIC 0.13% 0.265% 7324 0.8 413 330849 0.352% 19824662 18466824 26327567 0-2 0.958 47.18 935.8 79 99 94 99 278 39.2 0.901 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2754 2448.9 8.7 scans 58% 134 m/z (97) 1.0% 0.0480% 7350 0.9 172 44100 3591011 3433903 2-1 12: 134 119 84 81 191 79 178 93 148 91 105 137 0.942 47.36 -4.6 93 97 93 97 272 16.9 0.960 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9259 2486.3 10.1 scans 56% 134 m/z (112) 2.0% 0.0538% 7461 1.3 170 22228 0.0746% 4030962 3839937 5579649 1-0 17: 134 53 81 119 178 55 84 121 93 79 135 122 105 92 97 123 113 0.838 47.95 -1.3 84 89 81 91 272 11.5 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN N407_R~1-N1154 UNK 48.48min 48.4561 2516.9 8.8 scans 91% 148 m/z 0.049% 0.461% 7550 0.9 542 938602 34519394 31722798 3-1 20: 148 95 149 133 147 69 43 108 109 161 41 162 96 286 55 81 67 178 121 79 0.983 48.48 978.7 80 100 98 100 286 64.8 1.430 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9242 2543.8 7.8 scans 36% 73 m/z 3.0% 0.00603% 7629 1.1 64 15025 450989 407818 5-5 15: 73 355 147 221 429 281 430 356 207 222 295 431 282 341 74 0.752 48.95 993.4 75 98 72 96 429 17.1 7.016 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8386 2711.4 8.3 scans 40% 73 m/z 2.8% 0.00615% 8123 1.0 65 16360 460489 415818 2-4 18: 73 147 221 281 429 357 295 222 430 369 325 401 148 74 208 223 327 415 0.663 51.86 1080.5 71 94 63 91 503 8.6 1.797 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6132 2871.1 9.4 scans 40% 73 m/z (182) 3.1% 0.00940% 8593 1.0 70 14633 703322 621342 3-3 19: 73 147 355 221 281 295 429 282 283 148 208 357 431 176 205 341 149 325 503 0.777 45.81 1394.6 69 95 83 94 503 7.1 1.032 8.801 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1030 Pentacosane 54.6575 2873.7 8.8 scans 75% 57 m/z (339) 0.98% 0.0365% 8601 1.2 145 46815 2736715 2503354 3-5 20: 57 71 85 43 99 55 155 41 69 113 83 169 70 56 97 183 84 111 141 98 0.933 54.79 -7.6 86 90 89 88 352 8.8 0.000 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\N479_REP6.FIN HCMIX_~1-N1034 ? Heptacosane 59.7798 3168.3 11.8 scans 59% 57 m/z 2.6% 0.0129% 9468 1.3 77 17302 966489 895661 2-3 20: 57 71 43 126 85 141 83 127 55 154 70 41 111 168 98 72 58 42 211 169 0.727 59.97 -10.8 78 83 65 78 380 5.0 0.000 -0.187 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1540 772.4 4.6 scans 89% 77 m/z (74) 0.044% 0.233% 45 3.2 355 1265150 11065436 10077789 0-7 14: 77 45 78 79 62 59 76 75 63 61 47 46 92 64 0.996 4.37 18.4 99 100 99 100 77 302.5 72.796 -0.217 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1016 ? Pivalic acid 6.2993 828.3 >6 scans 47% 57 m/z 0.87% 0.0134% 409 0.7 92 64636 636059 529855 0-9 7: 57 41 59 39 102 87 58 0.876 6.03 -133.3 77 99 88 98 102 10.9 1.382 0.266 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5927 835.9 19.4 scans 60% 207 m/z 0.55% 0.0601% 459 2.8 108 102341 2848217 2691870 1-1 18: 207 208 163 191 210 209 149 161 135 178 132 165 103 72 81 194 89 147 0.790 6.53 -140.9 79 100 80 99 207 86.0 63.182 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N506_R~1-N1176 2-Hexenal 7.7043 864.8 8.8 scans 96% TIC 0.049% 2.23% 647 1.2 826 1153463 105713676 96071671 1-6 0.997 7.71 9.5 100 100 100 100 98 163.3 3.907 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2292 982.6 9.5 scans 47% 281 m/z 0.45% 0.0734% 1413 2.2 150 124415 3476911 3046581 3-3 20: 281 43 282 283 108 41 69 55 71 133 111 249 265 134 193 191 56 72 207 58 0.603 12.22 36.3 92 98 68 99 281 94.9 40.161 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6790 994.4 >12 scans 62% TIC 0.43% 0.0845% 1489 1.0 171 129368 0.166% 4003515 3763339 7860698 3-0 0.829 13.22 30.8 91 94 91 97 110 47.1 7.622 -0.543 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1022 ? Octanal 12.9364 1001.1 8.2 scans 40% 84 m/z (103) 1.5% 0.0886% 1533 1.5 172 36169 4198367 3661825 3-5 9: 84 43 56 44 57 82 85 100 95 0.912 12.96 -173.7 75 96 94 100 110 18.6 1.163 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1024 ? p-Cymene 13.7369 1022.8 7.9 scans 22% 119 m/z (45) 3.7% 0.00558% 1669 1.0 45 14934 264624 229638 2-1 7: 119 134 120 135 103 105 92 0.800 13.76 -176.7 73 98 82 97 134 17.5 15.007 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1016 Limonene 13.9104 1027.5 8.3 scans 19% 93 m/z 2.4% 0.0182% 1698 0.9 81 23132 864239 740407 4-4 9: 93 67 136 121 94 107 92 91 125 0.410 13.89 52.2 83 94 45 92 136 23.2 8.223 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0981 1032.6 10.4 scans 83% 79 m/z 0.24% 0.264% 1730 1.6 279 234302 12510412 11395613 4-4 20: 79 108 77 107 51 91 78 50 80 89 90 65 63 109 39 52 53 74 62 75 0.988 14.11 53.6 92 100 99 100 108 123.6 19.589 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4535 1042.2 9.4 scans 89% 91 m/z 0.084% 0.320% 1790 1.5 315 666115 15184522 13853675 2-5 20: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 38 74 66 61 52 86 0.975 14.44 57.4 91 100 99 100 120 101.0 10.273 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1808 1061.9 11.7 scans 82% 105 m/z 0.11% 0.345% 1913 1.5 313 488950 0.457% 16339058 15524285 21640597 2-0 18: 105 77 123 51 46 106 50 78 124 74 76 52 64 38 86 62 63 37 0.993 15.17 64.5 88 98 96 98 123 112.3 12.895 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN 98-86-2 ? Acetophenone 15.2865 1064.8 10.5 scans 16% 89 m/z (59) 0.65% 0.0460% 1931 0.8 119 86165 2181087 2021684 1-0 2: 89 126 0.788 15.29 -180.9 70 94 77 97 120 52.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4347 1068.8 8.8 scans 68% 95 m/z (57) 0.23% 0.203% 1956 1.6 260 237845 9654153 8984351 1-3 16: 95 81 124 43 79 53 109 39 65 82 96 66 51 77 63 125 0.884 15.43 67.1 86 99 96 100 124 75.6 8.457 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2168 1090.0 8.4 scans 20% 132 m/z (148) 7.4% 0.00487% 2089 1.2 41 7587 230607 208058 1-1 6: 132 117 115 116 64 128 0.833 16.25 -184.6 68 96 76 94 132 23.4 31.915 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1012 ?? Nicotine 16.2363 1090.5 8.6 scans 2.8% 148 m/z 17% 0.000426% 2091 1.2 15 3154 20189 20189 0-0 4: 148 133 118 105 0.327 25.78 -64.8 64 100 100 100 162 0.0 0.000 -9.542 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1002 Undecane 16.6106 1101.0 8.3 scans 46% 57 m/z 1.4% 0.0267% 2155 1.1 111 40186 1265253 1205871 1-1 11: 57 43 71 41 56 70 55 84 98 99 113 0.801 16.59 1.0 92 97 83 96 156 14.1 1.634 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1016 Nonanal 16.7907 1108.6 8.5 scans 91% 57 m/z 0.090% 0.974% 2186 1.1 601 621359 46163357 41970456 6-5 20: 57 41 56 43 55 98 70 44 82 69 68 95 81 96 67 39 42 71 54 45 0.990 16.82 86.2 82 97 98 98 124 38.0 0.400 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9719 1116.3 >10 scans 76% TIC 0.26% 0.180% 2217 1.0 271 210611 8556663 7484278 2-1 0.920 16.97 91.6 79 96 92 99 128 63.5 5.476 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0598 1120.0 9.5 scans 87% TIC 0.062% 0.471% 2231 1.2 409 909556 0.643% 22344047 20698957 30448367 0-3 0.975 17.05 94.0 82 100 98 100 122 136.0 11.056 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN M4942-N1008 ?? Phenylethyl Alcohol 17.1342 1123.1 >4 scans 24% 54 m/z (130) 2.1% 0.0167% 2243 999.0 86 26472 791250 587402 0-11 3: 54 39 126 0.894 17.89 -201.1 65 87 77 94 122 25.2 8.518 -0.755 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0675 1162.5 7.9 scans 75% 73 m/z 0.27% 0.136% 2402 1.4 232 206161 6450347 6011169 5-2 20: 73 355 267 356 268 357 269 251 74 193 191 249 75 179 358 154 45 59 223 339 0.926 18.13 -169.2 80 99 90 99 355 96.0 17.145 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1018 Contamination 12.25min 18.2157 1168.8 12.2 scans 7.8% 281 m/z (105) 7.3% 0.00459% 2427 3.2 34 7686 217449 200900 1-1 8: 281 282 283 75 134 265 191 193 0.599 12.25 15.7 86 93 53 93 281 23.6 49.026 5.965 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7057 1189.5 8.4 scans 60% 55 m/z 1.8% 0.0388% 2511 1.1 134 29998 1838774 1764578 1-1 20: 55 98 69 82 43 41 125 126 67 70 39 83 97 95 84 100 107 71 53 79 0.874 18.71 138.7 76 98 87 97 153 5.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8302 1194.8 8.4 scans 69% 70 m/z 0.90% 0.106% 2531 1.2 211 62540 5041218 4875737 1-3 20: 70 55 83 41 43 69 57 84 39 56 96 81 42 67 97 98 93 54 68 53 0.904 18.83 142.1 76 95 97 100 122 22.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1207 1207.0 8.1 scans 39% 82 m/z (108) 1.8% 0.0160% 2580 1.4 79 30801 760320 712506 1-1 6: 82 81 54 43 39 53 0.927 19.12 149.9 74 97 92 98 97 12.7 2.572 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8078 1236.1 9.4 scans 85% TIC 0.12% 0.408% 2697 1.2 372 453577 0.426% 19346844 17129461 20172635 4-4 0.954 19.81 168.6 77 96 92 100 144 8.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3161 1257.5 9.9 scans 33% 57 m/z (99) 1.6% 0.0282% 2783 1.4 92 33942 1337146 1180617 5-4 6: 57 71 85 72 114 170 0.836 20.32 -0.2 85 93 79 90 170 12.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5304 1264.0 8.1 scans 89% 57 m/z 0.16% 0.643% 2820 0.8 513 338348 30487607 28060061 5-2 20: 57 41 43 55 70 82 71 68 83 44 56 67 81 112 69 95 96 42 84 39 0.974 16.82 -27.4 73 74 85 77 124 0.0 0.000 3.715 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1024 ?? Hexadecane 20.7718 1271.3 7.4 scans 48% 57 m/z (126) 1.5% 0.0251% 2860 0.9 102 37297 1189392 1068761 2-1 13: 57 71 43 135 41 98 56 70 113 112 107 58 150 0.901 33.32 4.3 62 60 76 80 226 0.0 0.000 -12.547 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9454 1276.5 11.7 scans 36% 94 m/z (137) 0.79% 0.0463% 2890 1.7 110 71307 2192999 2013033 3-2 1: 94 0.922 20.98 191.5 75 97 90 99 152 5.4 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9991 1278.1 8.6 scans 82% 137 m/z 0.29% 0.295% 2899 0.9 339 191672 13991353 13097908 4-2 20: 137 152 109 123 81 67 91 79 95 41 93 77 39 55 53 107 43 119 65 153 0.960 21.00 192.8 66 86 79 86 155 0.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1042 ? Phytol 21.2772 1286.4 8.7 scans 50% 57 m/z (267) 3.1% 0.0378% 2946 0.7 109 18042 1794556 1614072 4-2 9: 57 56 70 71 126 85 111 106 98 0.859 35.35 -11.0 73 77 81 82 196 0.0 0.000 -14.070 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4430 1291.4 6.5 scans 8.7% 147 m/z 3.9% 0.00705% 2974 1.0 60 14371 334148 313403 1-3 13: 147 281 73 369 148 282 283 249 370 371 207 191 265 0.801 21.56 -147.3 75 98 74 96 369 15.7 6.887 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0074 1308.3 8.1 scans 13% 175 m/z 0.78% 0.0175% 3070 1.0 85 71871 828930 760191 2-3 9: 175 190 176 117 80 191 145 129 159 0.571 22.01 207.9 71 96 59 95 190 28.8 11.468 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1040 ?? Nonanoic acid 22.8522 1333.7 11.7 scans 36% 60 m/z (69 85) 0.67% 0.103% 3213 0.3 177 84263 0.195% 4922698 4477384 9233953 1-0 20: 60 73 57 115 129 55 61 98 101 45 41 87 158 56 39 74 83 81 42 91 0.893 22.70 -141.6 69 97 87 96 158 13.7 0.604 0.156 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1016 ?? Nicotine 22.8522 1333.7 11.7 scans 39% 60 m/z (69) 0.85% 0.112% 3213 0.3 184 65946 0.212% 5329806 4847665 10038964 1-0 20: 60 73 57 115 129 55 61 98 101 45 41 87 158 56 39 74 83 81 42 91 0.791 25.35 184.5 68 93 82 96 162 0.0 0.000 -2.502 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9047 1335.3 8.6 scans 73% 69 m/z (57) 0.16% 0.347% 3221 1.0 335 346011 16442870 14540117 4-4 9: 69 43 109 86 110 128 95 170 100 0.983 22.91 221.7 75 97 94 98 127 45.1 1.810 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8345 1363.2 9.0 scans 43% 57 m/z (72 67) 1.1% 0.0587% 3379 1.1 133 50313 2781513 2557317 2-3 10: 57 71 85 41 56 84 42 184 86 153 0.770 23.86 -0.8 82 91 73 89 184 11.0 0.689 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0818 1371.3 7.3 scans 71% 73 m/z 0.10% 0.334% 3421 1.0 387 520455 15830587 14714949 2-4 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 344 45 82 148 75 251 432 0.904 24.17 -152.5 80 99 95 99 429 110.7 8.173 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5417 1386.7 7.5 scans 71% 71 m/z 0.48% 0.0886% 3499 1.1 207 115961 4197425 3948464 1-3 20: 71 57 85 43 41 84 127 70 113 55 99 56 155 69 42 126 72 112 86 141 0.939 24.54 249.4 78 99 94 99 169 21.6 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6798 1391.3 8.0 scans 59% 43 m/z 0.74% 0.0519% 3522 0.9 162 75621 0.0582% 2457992 2419600 2755980 2-2 20: 43 83 69 41 55 82 58 142 56 85 113 111 71 39 70 68 128 93 108 67 0.871 24.70 251.7 70 91 83 96 170 5.0 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1032 ?? Dodecane 25.1786 1408.0 10.3 scans 34% 57 m/z (79) 1.4% 0.0459% 3607 1.0 113 38150 2176965 2057714 2-4 15: 57 71 85 70 86 127 56 42 112 99 155 137 73 126 98 0.679 20.36 7.8 67 76 71 79 170 4.2 0.000 4.821 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1922 1408.4 8.9 scans 30% 43 m/z 0.61% 0.0284% 3609 0.9 104 91296 0.0417% 1345517 1239538 1974645 4-0 14: 43 145 103 116 115 144 86 137 146 73 61 104 44 151 0.848 25.24 -151.5 73 99 89 98 145 38.3 13.473 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4242 1416.2 13.6 scans 66% 84 m/z (67) 0.20% 0.283% 3648 2.3 249 275668 13411028 12223201 2-2 19: 84 133 162 118 92 65 93 78 130 134 51 77 106 163 104 82 107 63 132 0.909 25.89 259.2 70 93 86 93 162 63.5 6.501 -0.468 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1080 ? Solanone 25.7814 1428.1 8.7 scans 44% TIC 1.1% 0.0275% 3709 1.2 129 48766 1303659 1250953 1-0 0.752 25.78 272.8 74 96 79 95 194 18.1 1.979 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0234 1436.2 9.0 scans 9.5% 145 m/z (109) 6.0% 0.00564% 3749 1.0 45 9316 267169 248486 3-2 3: 145 160 146 0.420 27.08 -186.6 63 94 65 95 160 19.1 18.470 -1.054 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0901 1471.8 6.8 scans 43% 73 m/z 0.90% 0.0406% 3931 1.1 141 62219 1922643 1812910 1-3 18: 73 221 147 281 222 355 115 267 114 223 282 148 443 74 283 356 191 205 0.790 27.12 296.9 76 97 86 97 355 26.3 3.484 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1704 1474.5 7.7 scans 80% 57 m/z (189) 0.19% 0.249% 3944 1.1 317 294469 0.325% 11805164 10931393 15389921 2-0 20: 57 71 43 85 41 56 55 70 99 84 198 42 69 112 113 127 126 83 72 39 0.986 27.21 -1.3 96 98 97 98 198 36.6 1.333 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8375 1499.4 8.4 scans 63% 71 m/z (98) 0.65% 0.184% 4057 1.4 249 86116 8759296 7900324 2-3 14: 71 57 43 70 85 41 169 168 99 133 67 113 81 140 0.855 27.84 314.1 62 84 87 98 212 8.5 0.118 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1032 ?? Myosmine 28.0276 1506.6 10.5 scans 40% 118 m/z (176 165) 0.70% 0.0771% 4089 1.9 149 80343 3653625 3442864 1-2 13: 118 146 145 190 78 51 65 42 63 64 157 52 90 0.852 27.93 319.9 69 97 86 97 146 65.5 19.393 0.097 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6610 1530.4 8.3 scans 70% 43 m/z (166) 0.10% 0.488% 4197 0.8 404 548126 23133817 19845339 3-11 16: 43 69 41 151 107 136 93 67 125 109 53 121 39 108 68 161 0.944 28.67 333.0 76 99 93 98 194 25.5 0.399 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0979 1546.8 7.7 scans 81% 71 m/z 0.084% 0.668% 4271 1.1 549 669485 0.854% 31638927 30349594 40439978 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 69 97 183 42 127 67 39 0.953 29.09 343.1 74 94 89 94 220 59.2 1.161 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5152 1562.5 7.2 scans 68% 73 m/z 0.12% 0.328% 4341 1.1 386 448218 15547315 14767561 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 74 148 416 329 504 342 325 417 0.961 29.61 -150.6 79 99 94 99 503 61.1 2.507 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7655 1571.9 7.7 scans 71% 123 m/z 0.031% 0.626% 4384 1.0 518 1822418 29649526 26714476 1-4 18: 123 43 135 124 107 91 95 79 109 77 39 93 81 53 67 97 125 105 0.909 29.77 357.9 78 98 90 99 193 42.2 0.665 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9420 1578.5 9.1 scans 78% 71 m/z 0.10% 0.630% 4414 0.7 462 558614 29875450 27128909 2-3 20: 71 85 57 43 99 113 41 69 55 127 70 84 155 56 83 169 126 86 111 72 0.940 29.94 362.1 76 96 93 98 254 11.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3234 1592.9 8.5 scans 36% 57 m/z (121) 0.49% 0.0844% 4478 1.2 186 113753 0.120% 4000812 3988288 5682433 1-0 19: 57 43 71 85 41 56 99 55 70 42 98 151 112 69 113 213 83 58 86 0.925 30.38 -2.0 82 88 90 89 212 25.2 1.828 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4928 1599.8 7.8 scans 84% 191 m/z 0.023% 0.944% 4507 1.0 632 2431318 44715308 41416996 2-8 20: 191 206 192 57 163 74 115 41 107 73 207 88 77 128 147 161 133 117 105 121 0.981 30.50 375.0 80 100 97 100 206 168.7 7.138 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8665 1615.5 9.5 scans 22% 162 m/z (59) 0.80% 0.0522% 4570 1.1 134 70110 2474587 2379231 1-1 17: 162 147 106 163 148 103 89 66 78 51 149 118 145 154 166 50 52 0.469 30.88 -0.5 77 86 43 84 204 6.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2142 1630.1 10.0 scans 68% 111 m/z 0.064% 0.810% 4629 0.6 523 872891 38363235 35660254 2-2 20: 111 109 137 67 180 110 43 124 95 152 79 81 77 39 112 93 53 91 65 138 0.852 31.18 395.1 76 97 81 98 180 120.6 5.313 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5088 1642.5 11.4 scans 49% TIC 0.35% 0.0800% 4679 1.2 202 159697 3791948 3651517 1-0 0.736 31.52 -0.2 91 95 81 94 166 38.7 3.671 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7839 1654.0 7.9 scans 20% 193 m/z (57) 1.9% 0.0280% 4726 0.9 105 28656 1328766 1251645 1-1 8: 193 197 84 194 198 196 167 175 0.832 31.80 -0.5 67 70 44 85 208 15.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9191 1659.7 7.8 scans 53% 83 m/z (219) 0.77% 0.111% 4749 0.6 205 73053 5288708 4721167 1-1 8: 83 71 82 55 113 155 127 210 0.955 31.92 0.0 83 89 91 92 219 10.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0584 1665.6 6.7 scans 24% 221 m/z 1.0% 0.0328% 4772 1.1 128 56422 1554972 1418830 3-2 18: 221 73 147 295 222 207 341 355 297 281 148 74 342 267 357 356 265 208 0.866 32.08 -0.8 96 98 83 97 355 21.7 2.901 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2360 1673.0 8.8 scans 70% 57 m/z (157) 0.29% 0.246% 4802 1.3 281 189004 11666106 10810178 1-1 20: 57 71 43 85 41 56 99 55 183 113 69 42 149 182 127 83 141 77 100 58 0.938 32.24 -0.1 89 93 92 98 226 10.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4415 1681.7 8.8 scans 66% 57 m/z (159) 0.29% 0.228% 4837 0.9 278 191391 0.243% 10831645 9799908 11506926 3-2 19: 57 71 85 43 56 41 197 55 196 99 113 70 127 83 97 141 42 168 111 0.952 32.44 -0.0 87 90 93 91 226 9.9 0.128 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 8.8 scans 70% 205 m/z 0.80% 0.246% 4876 1.0 317 70247 11684098 10690614 2-2 19: 205 91 119 43 105 93 79 159 162 107 147 41 77 131 187 121 106 133 146 0.911 32.67 -0.2 95 97 89 97 220 19.3 0.371 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8641 1699.4 7.7 scans 29% 70 m/z (149) 0.40% 0.0899% 4909 1.5 180 138401 4259004 3811137 9-3 2: 70 195 0.832 32.87 -0.1 72 79 78 80 186 2.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9291 1702.1 15.8 scans 68% TIC 0.067% 0.332% 4920 0.9 351 837004 0.424% 15751182 14547966 20077928 0-3 0.948 32.93 -0.2 95 95 91 98 243 49.5 1.989 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0844 1708.7 7.5 scans 38% 83 m/z 1.4% 0.0371% 4946 1.1 164 37733 1759726 1661410 1-2 20: 83 55 97 57 69 41 56 70 43 84 85 71 98 82 68 42 112 125 224 67 0.803 33.09 -0.0 90 97 83 94 224 9.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3093 1718.1 7.6 scans 74% 57 m/z (87) 0.18% 0.261% 4984 0.9 328 311239 0.334% 12395202 12134260 15816104 0-4 19: 57 71 43 85 41 55 56 99 70 42 226 69 84 113 98 72 112 58 83 0.986 33.37 -2.7 93 96 97 96 226 34.9 1.133 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8294 1727.3 7.9 scans 9.1% 217 m/z (131) 1.5% 0.0138% 5072 1.1 74 37167 656870 600017 2-1 7: 217 232 218 87 233 201 219 0.815 33.83 452.6 67 91 65 94 232 31.7 18.226 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8919 1728.2 7.9 scans 38% TIC 1.0% 0.0233% 5083 1.0 148 55962 0.0595% 1106386 1052474 2817539 1-0 0.855 33.90 -0.1 93 97 87 95 197 28.5 3.736 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2727 1733.7 >7 scans 50% TIC 0.47% 0.0374% 5147 0.6 197 119628 1774079 1774079 0-0 0.876 34.27 0.1 92 96 92 96 211 35.5 3.253 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3642 1735.0 8.7 scans 81% 73 m/z 0.016% 3.68% 5163 0.7 1183 3471881 174438044 165790390 2-2 20: 73 221 147 281 356 401 357 222 415 327 267 207 283 148 385 325 416 341 328 133 0.851 34.39 452.0 81 100 83 100 415 153.2 1.679 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7857 1741.0 13.2 scans 78% 91 m/z 0.040% 1.34% 5234 0.3 590 1405465 63763316 58309596 1-2 20: 91 155 199 90 65 184 44 89 120 92 137 63 106 39 77 64 51 200 134 107 0.951 34.79 452.0 80 99 94 99 199 163.9 7.731 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9043 1742.7 8.2 scans 42% 68 m/z (71) 0.53% 0.149% 5254 1.2 233 104952 7089630 6435411 2-2 4: 68 69 224 54 0.919 34.90 0.0 93 95 97 99 224 28.5 1.489 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6936 1754.0 8.9 scans 32% 193 m/z (70) 0.94% 0.108% 5388 1.1 192 59840 5127816 4561116 3-2 18: 193 209 124 165 105 224 181 195 210 77 109 167 91 175 79 166 131 194 0.742 35.70 451.3 68 92 67 92 224 30.5 2.529 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5201 1765.8 7.7 scans 11% 221 m/z 1.4% 0.0270% 5528 1.0 109 38419 1279614 1194618 2-3 16: 221 73 147 207 295 222 281 369 370 341 192 148 296 282 208 325 0.508 36.58 449.3 72 98 70 96 369 18.4 2.850 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1990 1775.5 8.1 scans 24% 209 m/z 0.55% 0.0532% 5643 1.0 150 101101 2520226 2337601 2-2 18: 209 224 181 165 210 167 178 105 166 103 225 179 194 77 193 115 89 152 0.778 37.20 449.2 75 98 75 97 224 52.1 12.025 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3046 1777.0 9.5 scans 60% 71 m/z (150) 0.48% 0.193% 5661 1.3 246 116408 9142627 8080213 1-3 20: 71 85 57 43 99 113 84 127 41 55 69 169 70 141 56 225 155 126 211 97 0.964 38.91 -23.0 81 86 95 86 254 3.9 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0591 1787.8 8.0 scans 66% 57 m/z 0.27% 0.157% 5789 0.9 275 207996 7471892 7073800 2-2 20: 57 71 85 43 56 41 99 55 225 224 113 69 127 70 141 98 155 83 197 58 0.923 38.06 448.1 77 99 92 97 225 49.1 3.185 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5614 1795.0 9.2 scans 92% 73 m/z 0.026% 2.39% 5874 1.1 913 2144502 113476308 105321907 2-4 20: 73 429 147 221 430 341 431 207 356 222 401 357 148 295 267 325 432 459 327 75 0.988 38.59 446.9 81 100 99 100 429 259.2 8.061 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8017 1798.5 9.2 scans 53% 71 m/z (189) 0.48% 0.134% 5914 1.5 218 117233 6390984 6133476 1-1 18: 71 85 127 239 55 41 126 99 69 211 113 84 240 128 86 155 141 181 0.831 36.21 -52.4 68 89 87 89 240 19.7 0.000 2.591 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 39.1258 1826.8 8.4 scans 40% 159 m/z (190) 2.1% 0.0459% 5969 0.9 130 26887 2175206 1991872 3-2 16: 159 161 105 119 120 132 145 106 93 147 117 162 121 131 118 187 0.922 39.14 470.1 75 99 90 98 272 13.6 1.091 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4457 1866.4 7.8 scans 34% 74 m/z (123) 1.6% 0.0356% 6023 1.0 119 34838 1687138 1550398 2-7 13: 74 87 143 102 213 228 60 75 59 256 157 199 225 0.891 39.45 504.9 70 93 89 99 256 14.0 1.369 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.7628 1905.7 7.5 scans 90% 68 m/z 0.13% 0.798% 6077 0.8 601 415501 0.828% 37814587 35552045 39208784 5-1 20: 68 95 82 69 57 123 55 43 81 83 67 41 71 97 96 109 124 111 56 85 0.991 39.94 536.6 79 98 98 98 278 28.5 0.225 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8861 1921.0 7.9 scans 74% 43 m/z 0.32% 0.225% 6098 1.1 323 176657 10663017 9840237 2-3 20: 43 58 71 59 57 85 55 109 95 69 41 110 124 83 56 81 70 123 82 96 0.953 39.88 552.7 77 98 96 97 250 30.4 0.886 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.1937 1959.2 10.1 scans 68% TIC 0.60% 0.147% 6150 1.8 248 93442 6963767 6417163 2-0 0.920 40.24 585.3 78 98 89 98 272 25.1 1.027 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3053 1973.0 7.6 scans 46% 149 m/z (141) 0.21% 0.0715% 6169 1.0 174 258912 3388355 3187743 1-1 16: 149 150 223 104 76 167 132 205 65 121 224 105 50 93 168 122 0.966 40.31 598.1 77 99 95 99 223 37.4 4.616 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1110 Phytol 40.4086 1985.8 8.3 scans 92% 81 m/z 0.051% 2.41% 6187 0.7 979 1105534 114147896 105580545 2-4 20: 81 82 95 68 123 57 69 43 83 79 55 67 71 96 41 97 124 109 110 111 0.996 40.66 -31.4 95 97 98 97 278 102.0 1.086 -0.253 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6176 2011.7 7.0 scans 27% 221 m/z (106) 2.1% 0.0213% 6222 1.2 97 25969 1008635 911789 2-3 16: 221 73 147 207 281 222 369 295 283 223 282 415 148 341 297 327 0.870 40.63 631.6 74 100 93 99 369 15.3 2.475 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1254 Phytol 40.8590 2041.6 8.0 scans 92% 82 m/z 0.089% 1.14% 6263 0.8 697 634623 54251806 51606780 2-2 20: 82 81 68 57 123 43 69 55 83 67 79 71 97 109 124 278 111 85 56 53 0.991 40.87 -1.1 100 99 99 99 278 85.5 1.506 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BQLD_R~1-N1056 ? Homosalate 40.9948 2058.5 >9 scans 30% TIC 3.0% 0.0125% 6286 1.0 107 18352 593620 546047 1-0 0.787 41.00 672.7 72 95 84 99 262 11.8 1.232 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N407_R~1-N1144 ?? Sclareoloxide 41.0957 2071.0 8.5 scans 26% 262 m/z (74) 5.0% 0.0324% 6303 0.9 107 11145 1535613 1374668 2-4 6: 262 191 185 177 229 247 0.663 41.13 683.2 61 91 68 89 262 16.7 2.464 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2451 2089.5 8.1 scans 79% 79 m/z (225) 0.28% 0.324% 6328 1.0 359 196198 15369092 14716309 1-1 19: 79 67 93 95 80 91 55 41 108 81 121 77 94 107 135 87 59 78 68 0.956 41.26 -1.5 95 97 95 99 264 24.1 0.453 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4617 2116.4 9.0 scans 76% 205 m/z 0.16% 0.789% 6365 0.5 541 346234 37382132 34892685 3-1 20: 205 57 175 177 220 55 232 91 261 191 203 161 135 77 115 176 206 163 233 133 0.900 41.49 -80.2 84 98 87 98 276 35.9 0.441 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5621 2123.4 8.0 scans 60% 187 m/z 0.33% 0.220% 6382 1.0 304 167996 10456453 9464977 1-7 14: 187 159 272 105 91 79 119 161 160 145 188 77 273 131 0.840 41.76 725.7 78 98 83 98 272 82.3 7.317 -0.199 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1008 ? UNK diterpene 41.87min 41.7339 2133.1 8.2 scans 42% 189 m/z (95) 2.2% 0.0579% 6411 1.2 150 24925 2746204 2597961 1-1 16: 189 272 105 119 161 133 147 190 91 273 159 121 145 131 93 187 0.919 41.87 733.7 75 98 88 98 272 34.2 5.169 -0.136 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7398 2133.4 9.1 scans 4.5% TIC 4.4% 0.00320% 6412 1.0 50 12672 151664 149777 1-0 0.113 42.05 -17.2 80 90 12 83 272 32.9 0.000 -0.305 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8384 2138.9 8.4 scans 40% 43 m/z (224) 2.2% 0.0429% 6428 0.9 128 25173 2033348 1926493 0-1 20: 43 85 69 84 70 252 99 41 55 83 72 124 86 98 140 97 125 111 112 182 0.908 41.48 19.9 68 74 85 75 268 1.9 0.000 0.355 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0090 2148.5 7.9 scans 91% 74 m/z 0.026% 1.68% 6458 0.8 839 2110905 79558981 75661928 2-2 20: 74 87 43 55 143 75 41 227 57 270 69 83 129 59 97 101 88 171 185 199 0.968 42.01 746.5 80 100 97 100 272 18.6 0.049 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.1583 2156.9 8.3 scans 28% 97 m/z (225) 2.9% 0.0197% 6483 1.1 87 19342 935679 866903 1-2 16: 97 257 96 272 105 159 187 81 119 120 92 132 162 273 86 189 0.799 42.40 -13.5 70 74 53 72 272 15.2 3.079 -0.241 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3466 2167.5 7.9 scans 73% 73 m/z 0.20% 0.217% 6515 1.1 296 273460 10289927 9673851 2-3 20: 73 147 221 281 355 429 207 503 341 282 222 74 148 283 430 415 357 504 295 461 0.949 42.37 758.5 76 95 95 99 503 46.1 2.415 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1090 ?? UNK 42.45min 42.3885 2169.8 8.2 scans 26% 159 m/z (73) 1.7% 0.0322% 6522 0.8 108 32752 1524862 1401334 4-1 5: 159 105 160 187 158 0.866 42.45 759.2 62 83 74 97 272 12.0 1.228 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1595 2213.1 7.9 scans 46% 187 m/z 0.92% 0.0637% 6653 0.8 173 60911 0.0854% 3017772 2833807 4043998 0-1 18: 187 134 161 105 119 272 91 159 188 160 162 93 189 81 145 117 163 257 0.860 43.24 -4.3 98 98 84 98 272 39.7 5.241 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N406_R~1-N1088 ? UNK Naphthalene derivative 43.2575 2218.6 9.2 scans 26% 159 m/z 1.0% 0.0239% 6670 2.1 86 53406 1136012 1063247 1-1 18: 159 160 128 157 143 142 131 158 187 156 271 270 117 171 141 130 129 116 0.618 43.31 791.0 73 97 58 95 270 19.5 5.126 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2835 2220.1 11.9 scans 9.6% 263 m/z (159) 4.5% 0.00948% 6673 1.6 50 12399 449184 449184 0-0 10: 263 172 264 219 203 188 278 116 167 92 0.524 43.31 -1.3 68 78 22 74 278 15.2 9.321 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN N419_R~1-N1158 ?? Manool oxide 44.2741 2276.2 >10 scans 27% TIC 12% 0.00296% 6841 0.0 57 4426 0.00438% 140533 140533 207409 0-0 0.567 43.83 838.6 66 90 54 90 275 13.4 5.425 0.447 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1584 2327.0 8.9 scans 63% TIC 2.6% 0.0600% 6991 1.4 153 20956 0.0667% 2843336 2585294 3158485 3-0 0.799 44.90 14.8 82 84 70 83 272 12.3 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8066 2364.3 7.5 scans 52% 73 m/z 1.4% 0.0262% 7101 1.0 107 39850 1242260 1179051 2-2 20: 73 147 355 221 281 356 207 282 429 358 295 148 430 74 415 75 342 401 283 223 0.834 45.78 1.7 93 95 78 93 503 9.5 0.779 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.0976 2381.1 7.8 scans 79% 79 m/z 0.28% 0.297% 7150 1.2 350 197129 14072751 12790700 2-6 20: 79 67 95 93 80 108 81 55 41 91 107 94 77 121 135 69 59 122 109 78 0.912 46.13 -2.1 96 98 92 98 292 23.8 0.461 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN HCMIX_~1-N1022 ?? Henicosane 46.6194 2411.1 7.5 scans 20% 99 m/z (98) 10% 0.00400% 7239 0.8 42 5453 189713 181512 1-0 11: 99 71 43 57 85 113 69 155 127 126 141 0.729 46.28 19.4 62 76 68 71 296 0.0 0.000 0.337 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7611 2419.3 8.2 scans 62% 74 m/z (180) 1.3% 0.0360% 7263 1.2 116 41116 1705450 1553950 3-3 13: 74 87 75 143 55 298 41 199 88 59 101 129 299 0.915 46.76 924.2 74 99 92 97 298 19.9 2.941 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9465 2545.1 7.7 scans 54% 73 m/z (117) 3.1% 0.0124% 7633 1.1 70 17679 590722 536727 3-2 18: 73 429 147 355 281 356 430 295 357 222 431 401 283 208 282 327 265 415 0.792 48.95 994.7 72 99 81 98 429 19.8 7.888 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8657 2713.0 8.0 scans 43% TIC 4.8% 0.00538% 8127 1.0 52 11548 254760 225888 2-5 0.667 51.86 1082.1 69 92 63 89 503 8.7 2.819 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6485 2873.2 >14 scans 32% 221 m/z (410) 10% 0.00386% 8599 1.4 36 5247 182766 170967 4-0 7: 221 429 281 147 356 355 222 0.642 45.81 1396.7 65 94 65 90 503 5.9 0.000 8.837 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1002 771.0 5.7 scans 73% 77 m/z (55) 0.091% 0.132% 36 4.0 237 606914 0.144% 6747354 6353826 7317485 1-4 14: 77 45 78 79 62 59 76 63 75 47 61 46 92 64 0.987 4.37 17.0 99 100 100 100 77 201.2 72.113 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5176 833.9 17.0 scans 67% 207 m/z 0.60% 0.0517% 446 2.6 104 91280 2632225 2446032 1-2 18: 207 208 209 96 133 192 163 191 178 161 103 89 177 149 165 75 67 105 0.838 6.53 -142.9 79 100 87 99 207 78.0 55.924 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6262 862.8 8.1 scans 95% TIC 0.14% 0.614% 633 1.5 465 383016 31219795 29042597 1-5 0.993 7.71 7.5 100 99 99 100 98 92.2 3.923 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2078 982.1 9.2 scans 45% 281 m/z (134) 0.45% 0.0723% 1409 1.9 142 123517 0.0729% 3678142 3377252 3704477 3-4 20: 281 282 43 265 249 71 111 55 283 69 191 193 133 250 93 267 207 177 125 126 0.701 12.22 35.8 92 98 80 100 281 90.7 40.864 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6541 993.7 9.6 scans 68% 81 m/z (73) 0.29% 0.138% 1485 2.0 194 190582 7049522 6402523 4-2 13: 81 110 53 79 51 77 82 95 50 66 40 109 52 0.975 13.22 30.1 93 96 96 99 110 54.5 7.929 -0.568 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1022 ? Octanal 12.9126 1000.5 7.9 scans 28% 84 m/z (109) 2.2% 0.0457% 1529 1.3 129 24324 2326970 2130619 2-4 6: 84 56 44 82 85 100 0.966 12.96 -174.3 74 98 96 98 110 11.3 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1016 Limonene 13.8914 1027.0 8.1 scans 81% 68 m/z 0.27% 0.227% 1695 1.1 296 201469 11578444 10514859 2-6 20: 68 93 67 79 94 121 92 136 107 91 53 39 77 41 124 81 80 95 123 65 0.905 13.89 51.7 91 100 96 99 136 58.3 3.869 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0833 1032.2 10.0 scans 89% 79 m/z 0.11% 0.522% 1727 1.3 394 499445 26567175 23672501 2-5 20: 79 108 107 77 51 91 78 50 80 90 89 63 65 109 39 52 53 105 74 62 0.996 14.11 53.2 93 100 100 100 108 174.4 19.594 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4487 1042.1 9.3 scans 91% 91 m/z 0.024% 0.976% 1789 1.1 559 2251568 49616506 45221362 2-6 18: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 74 66 114 52 0.970 14.44 57.3 91 100 99 100 120 183.3 10.737 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0042 1057.1 7.8 scans 37% 70 m/z (82) 4.9% 0.0133% 1883 1.2 73 11343 679841 644412 1-2 13: 70 55 83 41 57 39 93 67 97 58 84 68 79 0.847 18.83 4.4 74 78 82 86 122 2.9 0.000 -3.826 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1624 1061.4 10.8 scans 81% 105 m/z 0.17% 0.185% 1910 1.2 241 316733 9428679 8688446 2-1 20: 105 77 123 51 46 106 50 124 78 74 76 75 52 79 73 107 104 49 38 63 0.978 15.17 64.0 89 99 96 99 123 87.2 13.072 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN 98-86-2 ? Acetophenone 15.2557 1063.9 10.0 scans 52% 105 m/z 0.32% 0.0913% 1925 1.3 187 169744 4641744 4216724 1-3 20: 105 77 120 107 43 81 51 67 79 78 50 106 41 68 53 80 91 55 135 74 0.724 15.29 -181.8 72 91 88 99 120 63.8 11.628 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4215 1068.4 8.3 scans 62% 95 m/z 0.30% 0.106% 1954 1.2 212 179553 5397451 4833539 2-1 20: 95 81 124 79 43 53 109 39 65 41 82 96 66 55 67 51 77 125 52 80 0.903 15.43 66.7 87 99 91 100 124 63.2 8.903 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1028 ? p-Cymenene 16.2025 1089.6 8.2 scans 34% 117 m/z (113) 4.6% 0.00861% 2087 1.1 58 12041 437595 437595 0-0 15: 117 132 115 91 116 118 92 65 64 131 89 129 104 62 76 0.702 16.25 -185.0 72 98 82 98 132 28.3 23.543 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1002 Undecane 16.5987 1100.5 8.4 scans 29% 57 m/z 3.1% 0.0100% 2153 1.2 67 17647 508171 457975 2-1 10: 57 71 43 55 70 98 69 93 99 154 0.653 16.59 0.5 82 91 65 90 156 9.4 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1016 Nonanal 16.7781 1108.1 8.5 scans 90% 57 m/z (61) 0.13% 0.659% 2184 1.0 472 403755 33504825 29466810 7-5 20: 57 41 56 55 43 98 70 44 69 82 68 95 81 96 67 39 42 71 54 83 0.994 16.82 85.7 81 98 98 100 124 31.8 0.455 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9576 1115.7 >10 scans 80% TIC 0.32% 0.124% 2214 1.1 233 169579 6332056 5959581 1-0 0.951 16.97 91.0 81 99 96 99 128 55.6 5.690 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0544 1119.7 9.2 scans 89% 91 m/z 0.040% 0.701% 2231 1.1 485 1377557 35633729 32594853 3-5 20: 91 92 122 65 77 51 63 93 39 89 78 103 123 104 50 62 90 52 64 74 0.993 17.05 93.7 82 100 98 100 122 163.4 11.365 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1006 Contamination 18.13min 18.0615 1162.3 8.3 scans 66% 73 m/z 0.29% 0.136% 2401 1.7 221 188512 6949034 6204798 5-3 20: 73 355 267 356 268 357 269 251 155 74 193 191 249 358 75 179 323 224 207 223 0.940 18.13 -169.4 80 99 90 99 355 94.7 18.334 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1018 Contamination 12.25min 18.2250 1169.2 13.4 scans 6.1% 281 m/z (68) 7.6% 0.00425% 2429 2.2 32 7286 216209 194518 3-1 7: 281 134 282 283 207 193 265 0.602 12.25 16.1 85 91 50 92 281 22.0 47.886 5.974 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 18.4198 1177.4 21.4 scans 66% TIC 1.1% 0.0865% 2462 0.2 151 49679 4397167 4178973 0-4 0.930 22.03 -131.7 74 95 91 95 175 0.0 0.000 -3.614 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.4198 1177.4 17.7 scans 67% 60 m/z (43 71) 1.1% 0.117% 2462 0.2 153 48743 5950899 5461205 1-4 18: 60 85 69 73 41 55 97 101 57 87 88 115 89 39 82 42 108 56 0.972 19.87 109.1 68 92 85 95 144 2.1 0.000 -1.451 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7038 1189.4 8.2 scans 53% 98 m/z 2.1% 0.0296% 2510 1.0 118 25871 1506723 1449324 1-1 20: 98 55 111 69 82 43 41 125 70 95 67 107 110 39 83 71 97 126 81 100 0.813 18.71 138.6 74 97 83 96 153 5.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1135 1206.7 8.0 scans 22% 82 m/z (105) 1.6% 0.0172% 2579 1.1 80 33892 874151 806045 1-1 6: 82 81 54 43 39 53 0.863 19.12 149.6 67 93 88 97 97 12.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.1347 1207.6 >22 scans 41% 105 m/z 1.0% 0.0546% 2583 0.3 107 53678 2777861 2471665 1-8 18: 105 122 77 106 50 123 83 76 78 75 121 137 49 94 79 45 66 92 0.907 20.03 136.9 75 95 90 95 122 56.9 28.186 -0.894 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN M4942-N1004 ?? Hyacinthin 19.2575 1212.8 >20 scans 4.3% 91 m/z (100) 5.5% 0.00365% 2604 1.5 30 10065 185557 163863 3-1 1: 91 0.314 14.47 -8.3 64 90 57 92 120 8.5 0.000 4.784 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7469 1233.5 10.7 scans 25% 91 m/z (97) 1.6% 0.0206% 2685 1.4 75 33481 1048397 935342 2-4 7: 91 119 64 92 113 134 120 0.677 13.76 34.0 71 79 67 79 134 28.0 13.940 5.990 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8024 1235.8 8.9 scans 62% 57 m/z 0.41% 0.0943% 2696 1.4 186 133866 4795838 4320356 1-4 19: 57 45 75 41 87 56 89 59 101 100 72 73 60 58 44 71 132 62 61 0.903 19.81 168.3 74 95 89 96 144 2.3 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5249 1263.9 8.1 scans 89% 57 m/z (102) 0.20% 0.557% 2819 0.9 453 277687 28314799 25378365 5-3 20: 57 41 43 55 70 82 71 68 83 44 56 67 81 69 112 96 84 95 39 42 0.998 16.82 -27.5 70 72 86 75 124 4.4 0.000 3.710 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1034 ? Decanal 20.5249 1263.9 8.1 scans 84% TIC 0.19% 0.478% 2818 0.8 442 280861 24296891 22246414 4-2 0.941 20.57 -143.1 78 97 98 99 138 23.3 0.279 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9358 1276.2 10.5 scans 68% 94 m/z (137) 0.29% 0.113% 2888 1.6 177 186260 5779409 5463327 2-2 6: 94 138 66 150 139 143 0.970 20.98 191.2 76 97 95 100 152 4.2 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9937 1277.9 8.6 scans 72% 137 m/z 0.32% 0.219% 2898 0.9 292 169494 11175465 10188107 3-2 15: 137 152 109 123 81 67 91 79 41 93 119 55 53 153 110 0.936 21.00 192.6 60 80 70 80 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9040 1335.2 13.8 scans 50% TIC 0.16% 0.279% 3221 1.0 291 328823 14198929 12903027 2-1 0.829 22.91 221.6 76 97 82 96 127 41.1 1.992 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.3591 1348.9 >20 scans 85% 60 m/z 0.12% 0.867% 3299 0.1 428 431195 0.930% 44106267 43834422 47258760 0-3 20: 60 73 57 129 115 55 43 41 98 69 61 87 56 39 83 42 74 70 101 96 0.983 25.35 199.7 77 95 95 99 162 0.0 0.000 -1.995 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1006 ? Tridecane 23.8290 1363.0 9.6 scans 19% 57 m/z (72) 3.5% 0.0138% 3378 1.4 60 15875 701422 662457 2-1 5: 57 71 70 184 116 0.727 23.86 -1.0 71 85 67 83 184 8.4 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0805 1371.3 7.4 scans 79% 73 m/z 0.087% 0.431% 3421 1.0 436 633290 21916450 20487268 2-5 20: 73 341 429 342 147 343 430 431 326 74 207 327 344 251 432 148 75 45 191 311 0.917 24.17 -152.5 80 99 94 99 429 130.5 8.944 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6891 1391.6 8.0 scans 61% 43 m/z 0.62% 0.0638% 3524 0.8 173 89604 3243422 3113522 1-1 20: 43 83 41 55 82 142 85 58 56 113 39 111 67 71 70 57 127 93 143 68 0.844 24.70 252.0 74 95 93 97 170 2.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1980 1408.6 8.4 scans 36% 43 m/z (71) 1.0% 0.0212% 3610 1.2 86 54009 0.0306% 1081475 976493 1554966 11-0 15: 43 145 103 116 115 88 61 86 146 73 151 44 111 112 104 0.920 25.24 -151.3 76 97 96 100 145 33.0 14.647 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1090 ?? UNK 42.45min 25.4406 1416.7 7.8 scans 57% 159 m/z (71) 1.3% 0.0485% 3651 1.0 141 41453 2465404 2369547 1-1 17: 159 119 174 144 129 128 143 115 160 131 145 65 135 130 175 142 103 0.932 42.45 6.1 60 61 63 69 272 0.0 0.000 -17.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.5528 1420.5 11.7 scans 31% TIC 0.51% 0.0860% 3670 1.2 173 108387 0.119% 4373668 4102233 6047089 1-0 0.388 25.89 263.5 74 97 48 96 162 59.8 0.000 -0.339 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7848 1428.2 7.5 scans 33% 93 m/z (119) 1.7% 0.0249% 3709 1.0 100 32030 1267631 1117588 3-2 8: 93 136 94 108 137 125 194 151 0.874 25.78 272.9 70 96 87 97 194 14.2 2.035 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0203 1436.1 8.1 scans 5.1% 145 m/z (60) 5.2% 0.00441% 3749 0.8 40 10572 224075 214139 2-1 2: 145 146 0.710 27.08 -186.7 63 92 63 91 160 17.8 19.524 -1.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0977 1472.1 6.6 scans 54% TIC 0.73% 0.0250% 3932 1.2 153 75508 0.0643% 1271246 1271246 3267460 0-0 0.888 27.12 297.2 78 98 87 97 355 28.9 3.561 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 7.8 scans 73% 57 m/z (67) 0.42% 0.102% 3944 1.0 202 130070 0.134% 5204975 4964641 6809327 2-0 18: 57 71 43 85 41 56 99 198 84 70 98 42 72 113 127 112 154 126 0.988 27.21 -1.4 96 98 97 98 198 24.0 1.408 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1032 ?? Myosmine 28.0151 1506.1 10.4 scans 41% 118 m/z (165) 0.39% 0.0985% 4087 1.3 171 140495 5008488 4763552 1-4 9: 118 146 145 78 63 64 180 62 38 0.732 27.93 319.4 69 94 75 93 146 83.8 23.926 0.084 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6585 1530.3 8.2 scans 71% 43 m/z (56) 0.12% 0.379% 4196 0.8 357 451714 19291311 16667406 4-7 17: 43 69 41 151 107 136 67 125 93 68 53 109 83 39 121 108 79 0.892 28.67 332.9 75 98 88 98 194 23.1 0.421 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0906 1546.5 7.6 scans 77% 71 m/z (161 129) 0.17% 0.321% 4270 1.1 357 309327 16313183 14648333 2-1 20: 71 57 43 85 41 70 55 113 141 56 99 112 84 177 183 69 97 42 220 72 0.984 29.09 342.8 65 89 90 91 220 33.3 0.871 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0918 1546.6 7.7 scans 76% TIC 0.17% 0.254% 4270 1.0 354 314180 12955577 11727197 4-1 0.939 29.10 342.7 71 92 91 91 227 7.0 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5145 1562.5 7.7 scans 76% 73 m/z 0.10% 0.451% 4341 1.0 436 555358 22944860 21324519 3-2 20: 73 281 147 327 282 415 341 503 283 399 221 328 148 342 504 329 416 74 325 505 0.970 29.61 -150.6 79 99 95 99 503 73.1 2.808 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7666 1572.0 7.7 scans 81% 123 m/z 0.031% 0.574% 4384 0.9 499 1741544 29204015 26643762 1-5 20: 123 43 135 124 107 91 95 41 79 109 77 55 39 97 69 67 81 53 125 93 0.969 29.77 358.0 78 98 96 98 193 40.9 0.673 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 29.9330 1578.2 8.8 scans 65% 71 m/z (181) 0.40% 0.161% 4412 1.2 220 137581 8218723 7701586 1-1 14: 71 85 57 43 99 113 127 155 84 70 56 197 211 141 0.947 30.38 -16.7 75 79 88 79 212 0.0 0.000 -0.444 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9360 1578.3 >9 scans 72% TIC 0.36% 0.0943% 4413 0.9 230 152599 0.197% 4792154 4534432 10010727 1-0 0.972 29.94 361.9 75 94 94 96 254 5.9 0.066 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5009 1600.1 7.9 scans 77% 191 m/z 0.038% 0.484% 4508 1.1 452 1437590 24601795 22530979 2-6 20: 191 206 192 57 163 74 175 115 41 91 73 207 107 88 147 77 128 133 161 117 0.965 30.50 375.3 80 99 94 99 206 124.5 7.598 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8764 1615.9 9.0 scans 61% 162 m/z 0.24% 0.173% 4572 1.1 259 227801 8804638 8528346 1-2 20: 162 147 161 105 119 134 77 163 51 115 133 145 79 103 131 81 65 78 63 89 0.802 30.88 -0.1 90 90 71 91 204 38.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2282 1630.7 10.9 scans 86% TIC 0.053% 1.10% 4632 0.6 592 1047838 1.17% 56110215 52629647 59454569 2-2 0.965 31.18 395.7 78 97 95 98 180 129.4 4.782 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5080 1642.4 9.5 scans 53% TIC 0.49% 0.0549% 4679 1.0 165 112330 2791423 2567578 2-0 0.790 31.52 -0.3 93 97 79 95 166 36.2 4.825 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7914 1654.3 8.9 scans 16% 193 m/z (85) 2.4% 0.0155% 4727 0.9 73 22548 788934 740168 1-2 4: 193 208 175 194 0.803 31.80 -0.2 65 72 37 84 208 13.3 3.333 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9166 1659.6 8.0 scans 40% 83 m/z (143) 1.3% 0.0412% 4748 1.0 123 41111 2096992 1950581 3-1 3: 83 55 202 0.943 31.92 -0.1 74 77 86 82 219 3.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0695 1666.0 6.6 scans 42% 221 m/z (161) 0.73% 0.0472% 4774 1.1 145 75797 2399078 2146880 3-8 20: 221 73 147 295 207 222 341 343 223 325 281 296 342 355 267 148 74 356 265 297 0.937 32.08 -0.4 94 97 90 97 355 25.1 2.980 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2312 1672.8 7.9 scans 52% 57 m/z (157) 0.83% 0.0649% 4802 1.0 159 66438 3302053 2965575 1-1 18: 57 71 43 85 99 56 41 183 55 113 105 69 127 182 83 141 97 100 0.960 32.24 -0.3 88 92 93 96 226 7.6 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4349 1681.4 8.1 scans 58% 57 m/z (401) 0.66% 0.0822% 4836 1.1 178 83244 4181440 3856533 0-2 19: 57 71 85 56 43 197 41 196 55 99 113 127 70 83 141 97 58 111 168 0.963 32.44 -0.3 87 92 92 92 226 6.9 0.153 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6722 1691.3 9.0 scans 71% 205 m/z (157) 1.2% 0.168% 4877 0.9 242 42882 8542993 7802515 2-2 20: 205 91 119 93 43 105 159 79 107 162 147 131 41 187 77 146 135 106 145 121 0.952 32.67 -0.2 93 95 91 98 220 14.8 0.377 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8623 1699.3 7.3 scans 29% 70 m/z (78) 0.82% 0.0481% 4908 1.4 137 67305 2448715 2268778 2-3 2: 70 195 0.838 32.87 -0.2 69 78 79 80 186 2.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9272 1702.1 7.9 scans 51% 71 m/z (78) 0.15% 0.131% 4919 0.9 213 348497 6675989 5754316 4-4 12: 71 43 111 159 155 243 72 173 143 89 73 215 0.926 32.93 -0.2 94 97 93 99 243 32.9 2.381 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0842 1708.7 7.2 scans 32% 83 m/z 2.4% 0.0195% 4946 1.0 115 22643 990922 936679 1-1 20: 83 97 69 55 111 57 70 43 56 41 84 151 82 98 85 71 110 67 125 68 0.759 33.09 -0.0 81 92 78 89 224 6.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3050 1717.9 7.4 scans 70% 57 m/z (101) 0.36% 0.139% 4983 0.7 224 153660 7102682 6433244 3-8 17: 57 71 43 85 41 55 99 56 70 113 42 226 112 98 72 155 154 0.970 33.37 -2.9 92 97 96 97 226 24.6 1.201 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8292 1727.3 7.5 scans 7.3% 217 m/z (216) 2.6% 0.00720% 5072 0.9 53 21293 365974 331480 3-1 6: 217 232 218 189 201 233 0.214 33.83 452.6 64 92 56 95 232 23.7 19.967 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2714 1733.7 8.5 scans 53% 59 m/z (173) 0.44% 0.0840% 5147 1.0 178 123689 4269162 4034982 1-0 19: 59 57 44 71 72 43 41 85 142 86 211 98 210 56 42 39 60 49 70 0.951 34.27 0.1 69 67 55 90 211 20.8 1.369 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3670 1735.0 8.2 scans 94% 355 m/z 0.018% 3.27% 5163 0.9 1130 2953002 166316643 157529463 3-2 20: 355 73 221 147 281 401 357 282 222 402 415 327 267 207 74 283 148 358 223 385 0.992 34.39 452.0 81 100 99 100 415 137.1 1.471 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8475 1741.9 17.5 scans 90% 91 m/z 0.027% 2.27% 5245 0.2 698 2018056 115617870 111923369 0-1 20: 91 155 199 90 65 184 89 92 44 120 137 63 106 39 77 156 64 51 134 78 0.987 34.79 452.9 80 100 98 99 199 197.6 8.009 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9030 1742.7 8.1 scans 39% 68 m/z (95) 1.0% 0.0736% 5254 1.0 159 52218 3743619 3344520 3-4 3: 68 69 97 0.781 34.90 -0.0 82 88 83 94 224 20.5 1.656 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1150 1745.7 9.9 scans 36% 57 m/z (79) 1.1% 0.0670% 5290 1.4 129 49351 0.0705% 3404991 3078905 3582519 0-2 18: 57 71 43 85 83 197 133 56 41 99 113 196 70 141 42 97 127 176 0.834 33.90 17.4 74 87 83 88 197 16.5 0.000 1.219 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3470 1749.0 8.4 scans 47% 57 m/z 0.66% 0.0954% 5329 1.0 207 83754 4848712 4409838 4-2 20: 57 71 43 69 55 56 41 126 85 59 70 81 95 111 83 82 97 72 67 96 0.704 35.35 451.6 72 98 76 97 196 20.5 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6941 1754.0 9.0 scans 60% 123 m/z (70) 0.29% 0.152% 5388 1.2 226 190474 7751703 7056123 3-2 17: 123 193 43 124 209 105 77 125 91 79 95 195 121 133 165 149 224 0.967 35.70 451.3 74 96 94 96 224 20.0 0.785 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN GLAU_R~1-N1084 ?? Pentadecane 36.1108 1760.0 12.9 scans 16% TIC 0.82% 0.0187% 5459 0.9 93 67415 954229 887231 1-1 0.314 24.54 622.7 61 95 35 87 169 15.1 0.000 11.569 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5017 1765.6 7.0 scans 12% 221 m/z 0.62% 0.0638% 5525 1.1 171 88600 3244521 3021961 1-6 19: 221 73 147 295 207 281 222 369 223 341 296 148 297 74 282 283 325 370 355 0.822 36.58 449.1 76 99 85 98 369 27.8 2.642 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N407_R~1-N1140 ?? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6734 1768.0 8.9 scans 4.7% 220 m/z (111) 12% 0.00282% 5554 1.3 34 4390 143309 143021 0-1 6: 220 178 109 205 124 159 0.514 36.70 449.5 61 92 44 88 220 16.4 23.336 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1982 1775.5 8.2 scans 25% 209 m/z 1.0% 0.0226% 5643 0.9 99 52322 1148804 1113400 2-1 18: 209 224 181 165 210 167 178 179 193 105 239 166 225 103 194 131 89 51 0.750 37.20 449.2 75 97 68 95 224 36.5 13.564 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3057 1777.1 9.1 scans 42% 85 m/z (91) 1.6% 0.0485% 5661 1.2 125 33875 2466037 2126273 2-6 18: 85 71 57 43 84 225 127 210 55 58 70 56 169 211 141 155 168 197 0.927 38.91 -22.9 77 84 91 82 254 0.0 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3924 1778.3 9.1 scans 51% 191 m/z (195) 2.2% 0.0679% 5675 0.9 148 24494 3455171 3015084 9-2 17: 191 95 121 135 109 205 105 123 77 159 79 133 187 53 145 119 149 0.918 34.14 499.1 64 88 83 87 220 26.4 3.192 3.256 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0542 1787.8 7.9 scans 53% 57 m/z 0.67% 0.0531% 5788 1.1 161 82464 2701708 2603828 1-1 18: 57 71 85 43 56 41 99 225 55 224 113 141 69 70 226 98 127 239 0.859 38.06 448.1 75 97 84 95 225 31.9 3.953 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5713 1795.2 9.3 scans 81% 73 m/z 0.025% 3.92% 5875 0.8 1173 2151402 199672265 189912982 2-3 20: 73 429 147 221 355 430 281 341 431 207 356 401 222 148 74 282 223 343 327 283 0.845 38.59 447.1 80 99 78 99 429 378.7 10.424 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1227 1826.4 8.5 scans 10% 161 m/z (109) 13% 0.00469% 5969 1.2 42 4060 238546 218325 3-1 2: 161 120 0.654 39.14 469.7 64 93 63 89 272 6.1 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4137 1862.5 >4 scans 75% 123 m/z 0.61% 0.0354% 6019 0.0 183 91067 0.0776% 1799643 1677735 3943312 2-0 9: 123 175 167 97 105 119 166 106 122 0.881 39.45 501.0 72 91 85 96 256 23.2 1.604 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.7685 1906.4 7.7 scans 94% 68 m/z 0.077% 1.34% 6078 0.7 761 720678 68477634 66191914 2-1 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 56 70 0.996 39.94 537.3 80 99 99 99 278 39.1 0.264 -0.167 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8848 1920.9 7.4 scans 81% 43 m/z 0.31% 0.214% 6098 1.1 318 176041 10880145 10253259 1-3 20: 43 58 71 59 57 85 55 109 95 69 41 110 83 124 81 123 56 70 82 96 0.975 39.88 552.6 78 98 98 98 250 31.6 0.986 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3046 1972.9 8.0 scans 59% 149 m/z (72) 0.19% 0.0800% 6169 1.2 174 282089 4065408 3615319 2-9 14: 149 150 223 104 76 167 205 65 50 132 122 121 206 75 0.936 40.31 598.0 76 99 91 99 223 37.4 4.632 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1110 Phytol 40.3854 1982.9 7.6 scans 79% 81 m/z (181) 0.42% 0.244% 6183 1.2 315 132430 0.249% 12406847 12026457 12653152 4-4 16: 81 82 95 68 123 57 43 79 67 96 41 71 124 109 278 110 0.982 40.66 -34.3 89 96 97 97 278 34.9 1.231 -0.277 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6121 2011.0 7.0 scans 53% 221 m/z (133) 1.2% 0.0370% 6221 1.0 127 45304 1881313 1716197 2-3 20: 221 73 147 295 207 281 222 296 223 369 282 148 355 74 342 283 297 208 267 149 0.914 40.63 630.9 75 98 97 99 369 20.2 2.527 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1254 Phytol 40.8476 2040.2 7.6 scans 86% 82 m/z 0.34% 0.284% 6261 1.1 354 159130 14455707 13380304 2-3 20: 82 81 95 68 123 57 43 69 55 79 83 71 41 67 96 97 109 124 278 111 0.978 40.87 -2.5 99 99 97 98 278 43.8 1.529 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BQLD_R~1-N1056 ?? Homosalate 40.9917 2058.1 >8 scans 18% TIC 5.5% 0.00300% 6285 0.8 60 10054 152793 133295 1-1 0.595 41.00 672.3 69 96 73 95 262 8.0 1.796 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2526 2090.4 8.6 scans 93% 79 m/z (128) 0.071% 1.23% 6330 0.8 683 782487 62809187 60717510 1-2 20: 79 67 93 95 80 91 55 108 121 41 81 77 94 135 59 105 53 68 65 43 0.995 41.26 -0.6 96 97 98 99 264 49.2 0.518 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1018 ? Nonadecane 41.3967 2108.3 >9 scans 12% 71 m/z (84) 3.5% 0.0124% 6354 1.3 67 15504 0.0349% 631602 578398 1773474 6-0 12: 71 85 58 43 99 197 113 169 268 86 72 140 0.905 41.48 -10.7 71 80 65 78 268 5.4 0.646 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4829 2119.0 8.6 scans 84% 205 m/z 0.12% 0.893% 6369 0.5 585 434563 45407810 42184120 3-2 20: 205 57 217 175 189 220 55 91 261 191 203 192 161 206 233 163 115 133 219 176 0.948 41.49 -77.6 85 99 91 99 276 40.3 0.475 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5560 2123.1 8.4 scans 16% 187 m/z (105) 3.0% 0.0144% 6381 1.3 72 18015 732201 660623 0-7 7: 187 272 159 160 188 225 145 0.839 41.76 725.4 60 86 52 86 272 26.8 13.732 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0903 2153.1 14.7 scans 97% 74 m/z 0.0095% 9.47% 6472 0.2 1504 5839309 481379114 470393035 1-1 20: 74 87 143 227 270 55 43 41 69 57 239 83 171 59 199 101 241 71 56 213 0.999 42.01 751.1 79 98 99 99 272 40.5 0.073 0.079 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3276 2166.4 8.9 scans 89% 73 m/z 0.092% 0.572% 6512 1.1 460 603821 29071288 27470295 2-2 20: 73 147 281 221 355 429 503 207 341 282 148 430 222 356 283 74 504 415 295 505 0.980 42.37 757.4 75 92 95 99 503 73.8 2.577 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1612 2213.2 7.7 scans 14% 161 m/z 4.5% 0.00742% 6653 0.8 57 12290 0.00873% 377242 348811 443623 0-2 10: 161 187 272 134 119 105 145 162 188 189 0.570 43.24 -4.2 87 91 49 88 272 17.5 9.331 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3023 2221.1 13.4 scans 22% 279 m/z (186) 3.3% 0.0153% 6677 1.3 57 16581 781193 686961 2-1 17: 279 263 77 141 161 179 264 57 187 236 278 124 80 219 127 123 155 0.587 43.31 -0.3 76 84 41 81 278 16.7 8.531 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8229 2250.4 >12 scans 16% 251 m/z (82) 7.8% 0.0112% 6766 0.5 52 7056 0.0162% 569431 569431 823217 0-0 6: 251 166 208 239 169 121 0.295 43.94 -6.3 65 86 24 80 282 6.0 0.000 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1234 ? Thunbergol 45.1618 2327.2 8.4 scans 55% 137 m/z (175) 4.8% 0.0315% 6992 1.0 103 11571 1605016 1400000 2-4 16: 137 93 95 258 121 229 69 123 107 80 109 79 257 120 94 119 0.810 44.90 15.0 78 84 73 82 272 8.7 0.000 0.261 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5396 2349.0 8.6 scans 29% 135 m/z (122) 12% 0.00901% 7056 0.8 55 4618 458107 402033 6-2 12: 135 136 197 123 125 124 191 206 209 109 121 149 0.682 45.56 -1.4 63 76 56 74 290 0.0 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7988 2363.9 7.9 scans 56% 73 m/z 1.1% 0.0358% 7100 1.1 121 49973 1823537 1710572 2-2 20: 73 355 147 281 356 282 207 221 429 222 505 148 341 283 399 74 267 325 503 327 0.828 45.78 1.3 95 96 79 95 503 12.2 1.018 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9434 2372.2 15.7 scans 23% 74 m/z (67) 0.48% 0.0954% 7124 1.5 169 114176 0.122% 4849745 4534759 6199536 2-0 20: 74 87 255 75 143 298 256 185 267 88 227 270 269 144 171 249 172 241 130 89 0.808 45.92 893.5 72 97 74 95 298 28.4 2.826 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1228 ?? C18:2-butanoate 45.9965 2375.3 9.3 scans 92% TIC 0.074% 1.75% 7133 0.7 774 751469 89150198 80619044 4-1 0.984 46.00 -0.3 60 61 74 63 294 83.7 1.168 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1482 2384.0 9.8 scans 81% TIC 0.029% 3.20% 7159 0.6 1053 1863162 162717877 149025105 2-3 0.908 46.13 0.8 94 94 88 97 292 82.7 0.617 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1022 Henicosane 46.1902 2386.4 12.5 scans 29% 57 m/z (79 74) 0.38% 0.174% 7166 0.5 204 145418 8868384 8049514 2-3 13: 57 71 85 99 197 267 211 225 170 126 198 169 183 0.856 46.28 -5.3 81 90 74 90 296 18.7 0.845 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7639 2419.4 8.0 scans 86% 74 m/z 0.14% 0.305% 7263 0.9 355 382115 15542133 14641926 2-4 20: 74 87 43 75 143 55 298 255 41 57 69 199 83 129 59 97 101 267 71 185 0.964 46.76 924.3 79 100 97 99 298 63.5 3.202 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9417 2544.8 7.9 scans 51% 73 m/z (55) 3.0% 0.0138% 7633 1.0 72 17990 703831 636301 3-4 20: 73 147 355 429 221 430 281 356 295 223 267 357 282 222 283 148 207 431 432 325 0.795 48.95 994.4 72 99 82 98 429 20.6 8.169 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN HCMIX_~1-N1026 Tricosane 50.5810 2639.1 8.0 scans 66% 71 m/z (141) 3.1% 0.0196% 7910 1.2 86 17864 999116 941621 1-3 20: 71 85 57 43 55 99 41 83 113 69 70 84 127 56 67 169 97 98 111 126 0.867 50.69 -6.1 80 88 84 85 324 4.6 0.000 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8626 2712.8 8.3 scans 32% 73 m/z 4.9% 0.00587% 8127 1.0 49 11222 298337 280681 1-3 17: 73 147 221 355 290 281 341 430 105 148 503 282 295 222 119 208 267 0.589 51.86 1081.9 66 92 59 89 503 8.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6342 2872.3 >11 scans 31% TIC 10% 0.00231% 8596 0.8 35 5460 117744 107859 1-1 0.595 45.81 1395.8 67 93 62 90 503 5.3 2.284 8.822 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1062 771.2 5.4 scans 80% 77 m/z (55) 0.063% 0.198% 37 3.8 259 727168 0.206% 7760771 7152498 8072121 0-5 12: 77 45 78 79 62 76 59 75 63 47 46 92 0.983 4.37 17.2 99 100 100 100 77 220.0 71.945 -0.265 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2048 825.8 >3 scans 56% TIC 0.70% 0.0111% 393 4.2 92 65847 438104 295621 0-9 0.873 6.03 -135.8 77 98 88 99 102 10.8 1.378 0.172 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5212 834.0 18.4 scans 62% 207 m/z 0.59% 0.0564% 446 2.6 95 77795 2211058 2020236 2-1 16: 207 208 96 95 191 147 178 210 119 103 161 37 179 81 134 117 0.835 6.53 -142.8 79 99 84 99 207 71.9 57.437 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6346 863.0 8.4 scans 94% 69 m/z (108) 0.075% 1.26% 635 1.1 586 615796 1.56% 49458046 46447080 61128681 2-0 20: 69 55 83 41 39 42 57 98 70 97 56 43 80 53 79 40 54 68 51 38 0.999 7.71 7.7 99 100 100 100 98 113.2 3.731 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKSTART-N1004 ?? Contamination 12.42min 12.0408 977.7 8.3 scans 27% 57 m/z (118) 1.7% 0.0193% 1381 1.6 69 26674 758032 678579 4-1 6: 57 81 85 67 58 82 0.834 12.42 28.0 61 56 63 86 281 0.0 0.000 -0.378 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2456 983.1 >12 scans 34% 194 m/z (95) 1.6% 0.0190% 1415 999.0 79 27683 0.0986% 747202 721488 3863646 0-1 9: 194 193 284 251 283 203 179 115 117 0.807 12.22 36.8 87 93 59 97 281 42.9 29.725 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6542 993.7 9.5 scans 46% 81 m/z (73) 0.76% 0.0574% 1485 2.0 107 60602 2249729 2003062 5-3 3: 81 110 82 0.889 13.22 30.1 90 95 86 98 110 30.5 8.059 -0.568 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1022 ? Octanal 12.9133 1000.5 8.1 scans 33% 56 m/z (50) 2.3% 0.0608% 1529 1.4 126 20079 2386283 2085229 2-4 10: 56 84 43 44 57 82 85 100 110 83 0.959 12.96 -174.3 72 93 95 99 110 13.5 1.145 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1016 Limonene 13.8891 1026.9 8.3 scans 66% 68 m/z (69) 0.77% 0.124% 1694 1.0 169 59892 4873223 3701712 4-11 19: 68 93 67 79 136 94 121 92 53 107 91 39 77 43 81 80 54 51 105 0.851 13.89 51.6 87 99 94 99 136 33.0 3.795 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0751 1031.9 9.6 scans 70% 79 m/z 0.42% 0.127% 1726 1.8 175 107693 5014364 4510219 2-3 17: 79 108 107 77 51 91 78 50 90 80 89 65 63 105 74 52 76 0.940 14.11 52.9 91 99 92 99 108 80.3 20.936 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4340 1041.7 9.2 scans 83% 91 m/z 0.13% 0.185% 1786 1.5 213 335505 7255261 6647335 2-4 20: 91 92 120 65 63 89 39 51 121 62 50 90 93 74 66 38 61 76 122 86 0.962 14.44 56.9 91 100 97 100 120 69.6 10.704 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1631 1061.4 10.6 scans 83% 105 m/z 0.10% 0.373% 1910 1.6 285 448022 0.434% 14644049 13942119 17006313 2-0 19: 105 77 123 51 46 50 106 78 74 76 75 52 124 38 61 64 73 49 63 0.986 15.17 64.0 88 98 96 98 123 102.4 12.930 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.1943 1062.3 10.7 scans 3.0% 122 m/z (94) 2.1% 0.00914% 1916 1.6 42 21681 358410 327532 8-5 2: 122 45 0.061 20.03 -8.4 60 93 20 87 122 38.0 80.053 -4.835 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2126 1062.8 13.8 scans 12% 94 m/z (59) 1.2% 0.0377% 1919 1.4 80 37303 1479391 1368202 3-3 4: 94 109 297 133 0.727 16.11 -207.4 67 91 78 96 109 46.8 33.891 -0.896 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4204 1068.4 8.8 scans 65% TIC 0.14% 0.236% 1954 1.3 268 326743 0.271% 9254244 8526417 10619149 2-0 0.822 15.43 66.7 87 99 83 99 124 84.4 9.873 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1028 ?? p-Cymenene 16.1961 1089.4 8.8 scans 22% 117 m/z (148) 8.3% 0.00512% 2086 1.7 37 5534 200992 184329 1-0 4: 117 115 91 131 0.773 16.25 -185.2 69 97 75 94 132 19.2 26.313 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1002 Undecane 16.5987 1100.5 8.3 scans 51% 57 m/z 1.6% 0.0276% 2153 1.1 98 28894 1082770 1002596 2-1 15: 57 71 43 41 85 56 55 98 84 69 99 112 154 93 73 0.843 16.59 0.5 91 97 88 95 156 12.3 1.583 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1016 Nonanal 16.7776 1108.1 8.3 scans 89% TIC 0.13% 0.637% 2184 0.8 429 344072 0.661% 24984476 22030081 25901319 0-6 0.977 16.82 85.7 81 98 97 98 124 27.0 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9600 1115.8 9.3 scans 83% TIC 0.17% 0.264% 2215 1.0 287 262418 10349085 9511036 2-0 0.952 16.97 91.1 79 97 93 99 128 70.2 6.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0450 1119.3 8.8 scans 80% 91 m/z 0.075% 0.388% 2229 1.3 320 614027 15239379 13709505 9-4 20: 91 92 122 65 77 93 51 63 89 39 78 103 123 104 50 94 62 90 109 52 0.961 17.05 93.3 82 100 98 100 122 107.7 11.288 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0663 1162.5 8.9 scans 62% 73 m/z 0.54% 0.0764% 2402 1.6 144 84586 2994336 2807784 6-2 20: 73 355 267 356 268 357 269 74 207 251 358 323 249 235 193 339 270 75 126 191 0.861 18.13 -169.2 79 99 83 98 355 65.4 20.602 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6974 1189.2 8.6 scans 60% 98 m/z 1.6% 0.0495% 2509 1.2 126 28585 1942555 1744235 2-1 19: 98 55 69 111 82 43 41 70 67 97 95 107 126 100 83 71 80 84 85 0.866 18.71 138.4 75 97 87 96 153 5.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8184 1194.3 8.6 scans 59% 70 m/z (82) 2.2% 0.0476% 2530 1.1 116 20336 1866217 1737682 1-1 20: 70 55 83 41 43 57 96 56 81 39 42 67 97 54 98 68 71 58 53 79 0.963 18.83 141.6 71 91 95 98 122 3.2 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1094 1206.6 >8 scans 46% TIC 1.3% 0.00918% 2579 1.0 83 34324 359902 328200 0-1 0.894 19.12 149.5 77 100 93 99 97 14.7 3.180 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2464 1212.3 9.8 scans 11% 119 m/z (56) 3.7% 0.00902% 2602 1.1 46 12370 353534 312902 2-1 4: 119 91 134 120 0.744 13.76 12.8 75 78 68 78 134 17.8 15.068 5.489 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7942 1235.5 9.1 scans 71% 57 m/z 0.24% 0.188% 2695 1.3 227 189032 7405793 6668664 1-4 19: 57 45 41 75 87 85 56 89 59 101 100 72 60 73 44 58 131 71 55 0.915 19.81 168.0 76 97 90 99 144 5.1 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1004 ? Dodecane 20.3131 1257.4 10.1 scans 30% 57 m/z (84) 1.5% 0.0271% 2783 1.2 80 30453 1063910 969309 3-4 6: 57 71 85 170 113 126 0.897 20.32 -0.3 79 84 74 84 170 12.3 2.387 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1034 ? Decanal 20.5233 1263.8 7.9 scans 89% 57 m/z 0.23% 0.453% 2818 1.0 379 194084 17782042 16299218 5-2 20: 57 41 43 55 70 82 71 68 83 44 56 81 67 69 112 95 96 42 84 39 0.986 20.57 -143.2 71 87 93 99 138 19.9 0.274 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5233 1263.8 7.9 scans 90% 57 m/z (93) 0.23% 0.489% 2818 1.0 381 194315 19196205 17595456 5-2 20: 57 41 43 55 70 82 71 68 83 44 56 81 67 69 112 95 96 42 84 39 0.995 16.82 -27.6 68 71 85 74 124 0.0 0.000 3.708 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9388 1276.3 11.4 scans 31% 94 m/z (137) 0.83% 0.0406% 2889 1.5 89 55406 1592242 1493500 4-2 2: 94 143 0.846 20.98 191.3 71 97 85 97 152 5.2 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9530 1276.7 >10 scans 25% 138 m/z (94) 1.7% 0.0371% 2891 0.0 100 25880 0.0788% 1457010 1457010 3087782 0-0 6: 138 150 139 59 140 111 0.245 32.87 16.4 62 69 18 65 206 0.0 0.000 -11.920 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9926 1277.9 8.7 scans 80% 137 m/z 0.24% 0.337% 2898 1.0 314 188035 13235448 12268576 3-3 19: 137 152 109 123 81 67 91 79 93 41 95 77 39 107 55 119 53 65 153 0.943 21.00 192.6 66 86 76 85 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1591 1282.9 8.8 scans 17% 281 m/z 1.3% 0.0161% 2926 1.5 63 34954 632665 554009 3-3 16: 281 207 193 249 125 194 265 282 283 267 191 284 208 148 205 252 0.717 12.25 129.8 75 97 62 96 281 48.2 58.992 8.908 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1042 ? Phytol 21.2565 1285.8 >8 scans 39% 81 m/z (121) 4.6% 0.0246% 2943 4.4 83 9995 964596 827532 0-5 7: 81 106 55 282 69 281 95 0.866 35.35 -11.6 74 79 84 82 196 0.0 0.000 -14.091 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0044 1308.3 7.8 scans 23% 175 m/z 0.37% 0.0403% 3069 1.1 113 123236 1582472 1500064 2-3 11: 175 190 176 147 80 66 115 177 117 119 64 0.625 22.01 207.9 75 98 66 97 190 35.8 9.954 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9005 1335.1 8.7 scans 58% 69 m/z (85) 0.15% 0.408% 3221 1.2 312 301481 15996991 13607394 6-6 10: 69 109 43 86 110 128 127 67 95 108 0.993 22.91 221.5 76 98 97 99 127 40.2 1.666 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.0115 1338.5 >4 scans 78% TIC 0.27% 0.122% 3240 1.0 263 165785 4796177 3708834 1-3 0.982 25.35 189.3 76 94 93 99 162 0.0 0.000 -2.342 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.0133 1338.5 >6 scans 79% 60 m/z 0.27% 0.188% 3240 0.6 263 170766 7382851 5956484 1-12 20: 60 73 115 57 41 129 55 61 43 98 69 74 39 87 45 42 101 84 96 97 0.975 22.70 -136.8 76 95 94 98 158 17.2 0.428 0.317 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.6933 1358.9 7.4 scans 42% 71 m/z (134) 2.8% 0.0177% 3355 1.1 77 16068 696282 642627 1-1 17: 71 85 57 43 113 41 84 70 155 126 127 56 112 58 86 42 68 0.932 23.86 -5.1 74 78 86 77 184 0.0 0.000 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0853 1371.5 7.4 scans 75% 73 m/z 0.13% 0.317% 3421 1.0 326 355048 12450592 11696737 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 432 251 75 45 311 148 191 0.941 24.17 -152.3 79 99 91 99 429 99.5 9.293 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5422 1386.7 7.5 scans 61% 71 m/z 0.72% 0.0495% 3499 1.1 142 63764 1943082 1919954 0-1 19: 71 57 85 43 41 70 84 127 99 113 155 55 126 56 42 86 69 112 72 0.888 24.54 249.4 78 99 90 98 169 16.1 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6774 1391.2 8.2 scans 63% 43 m/z 0.76% 0.0610% 3522 0.8 143 60389 0.0649% 2391146 2148102 2543110 4-5 20: 43 83 55 142 69 41 82 58 113 85 56 111 39 71 70 93 68 67 57 127 0.929 24.70 251.6 70 90 84 96 170 5.4 0.146 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1916 1408.4 >9 scans 18% 43 m/z (71) 1.8% 0.0150% 3609 0.5 61 25636 0.0689% 590469 545387 2699850 2-0 9: 43 144 145 116 103 61 88 73 115 0.700 25.24 -151.5 70 94 89 98 145 24.1 15.640 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4059 1415.6 10.6 scans 45% TIC 0.17% 0.331% 3645 1.7 279 257423 12988021 11854750 1-3 0.526 25.89 258.6 76 97 64 96 162 98.5 12.472 -0.486 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7825 1428.2 7.2 scans 43% 93 m/z (134) 1.6% 0.0335% 3709 0.9 104 27730 1316104 1182429 1-2 11: 93 43 136 121 71 155 70 77 154 151 94 0.847 25.78 272.9 69 95 89 95 194 14.4 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4738 1451.2 7.8 scans 48% 189 m/z (355) 2.6% 0.0366% 3826 1.2 105 17530 1434834 1301014 0-3 16: 189 204 67 69 121 154 190 91 105 205 107 117 119 122 160 79 0.807 45.98 -28.5 62 68 55 72 204 31.7 9.065 -19.501 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0960 1472.0 6.7 scans 41% 221 m/z 1.3% 0.0261% 3932 0.9 99 33144 1025860 957300 1-2 17: 221 73 147 281 222 355 267 223 282 357 356 443 283 207 268 444 269 0.873 27.12 297.1 75 96 81 95 355 19.9 4.055 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 7.9 scans 80% 57 m/z (163) 0.26% 0.191% 3944 1.1 238 175324 0.256% 7515475 7175745 10031373 1-0 20: 57 71 43 85 41 56 55 99 70 198 98 84 42 69 113 112 127 126 72 83 0.976 27.21 -1.4 97 100 98 99 198 27.0 1.285 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8392 1499.5 9.8 scans 64% TIC 0.69% 0.155% 4057 1.4 219 66428 6096834 5604810 1-1 0.850 27.84 314.2 60 79 79 98 212 7.6 0.120 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9561 1503.9 11.0 scans 78% 118 m/z 0.10% 0.505% 4077 1.7 337 458113 19824911 17996194 2-2 19: 118 146 145 105 78 51 119 104 117 147 42 63 65 39 41 91 59 76 64 0.953 27.93 317.2 78 98 92 98 146 151.2 20.095 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6604 1530.4 8.0 scans 72% 43 m/z (155) 0.13% 0.372% 4196 0.9 323 337709 0.386% 14588587 12792129 15125430 0-11 18: 43 69 41 151 107 136 67 125 93 109 53 121 83 39 68 81 108 79 0.959 28.67 333.0 77 100 97 99 194 20.3 0.394 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0943 1546.7 7.6 scans 77% TIC 0.11% 0.431% 4270 1.1 407 389915 16894858 16056448 1-0 0.943 29.09 343.0 73 95 90 94 220 44.7 1.205 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5282 1563.0 10.0 scans 94% 281 m/z 0.011% 6.94% 4344 0.4 1348 4174746 271992421 264979235 2-1 20: 281 73 147 327 415 341 503 221 399 329 207 383 133 45 249 222 59 131 193 117 0.977 29.61 -150.1 79 98 94 98 503 226.4 2.824 -0.086 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7673 1572.0 7.7 scans 76% 123 m/z 0.028% 0.673% 4384 0.9 471 1624199 26378900 24608024 1-3 17: 123 43 135 124 107 95 91 79 109 77 39 81 93 53 125 97 105 0.923 29.77 358.0 78 98 91 99 193 40.3 0.734 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9396 1578.5 9.1 scans 77% 71 m/z (181) 0.13% 0.542% 4413 0.8 357 353616 21258841 19583869 1-2 18: 71 85 57 43 99 113 41 69 55 127 155 70 56 169 112 86 42 72 0.959 30.38 -16.4 78 81 90 82 212 4.9 0.000 -0.437 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 30.2377 1589.7 7.8 scans 22% 71 m/z 1.0% 0.0156% 4464 0.8 119 45161 0.0604% 613458 581071 2366777 0-1 20: 71 85 57 43 99 113 69 127 86 155 41 55 126 111 70 84 56 206 118 81 0.823 29.94 373.3 70 93 83 92 254 5.7 0.000 0.297 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5004 1600.1 8.1 scans 77% 191 m/z 0.031% 0.638% 4508 1.0 447 1485804 25017163 23918689 1-6 19: 191 206 192 57 163 74 175 115 73 91 207 88 107 147 128 161 77 133 193 0.934 30.50 375.3 79 99 89 99 206 126.1 7.966 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8777 1615.9 8.6 scans 61% 161 m/z (222) 0.69% 0.127% 4572 1.1 190 66280 5012423 4766396 1-1 17: 161 162 147 134 119 204 91 189 77 105 81 133 106 165 92 115 145 0.961 30.88 -0.1 83 83 74 90 204 38.7 4.165 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2094 1629.9 10.1 scans 73% 111 m/z 0.064% 0.858% 4628 0.7 467 718600 33654610 30452657 3-2 20: 111 109 137 67 180 110 43 124 152 95 79 81 41 77 39 112 165 69 53 93 0.890 31.18 394.9 77 97 84 98 180 107.5 5.312 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5046 1642.3 >11 scans 49% TIC 0.46% 0.0607% 4678 1.2 156 99744 2382233 2170855 2-1 0.759 31.52 -0.4 92 95 81 94 166 31.8 4.138 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9166 1659.6 8.0 scans 51% 83 m/z (109) 1.1% 0.0810% 4748 0.8 153 40869 3176788 3005350 2-1 10: 83 71 82 55 113 70 210 127 112 155 0.886 31.92 -0.1 82 88 92 90 219 3.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0548 1665.4 6.7 scans 25% 221 m/z 0.94% 0.0323% 4772 1.0 110 48808 1268963 1173227 2-3 18: 221 73 147 222 295 207 223 355 342 325 296 281 357 208 279 327 356 74 0.813 32.08 -1.0 94 97 80 96 355 20.7 3.539 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2283 1672.7 9.0 scans 53% 57 m/z 0.43% 0.118% 4801 1.7 182 107074 4635724 4415794 1-1 20: 57 43 71 85 41 99 55 69 149 105 113 127 182 183 42 77 72 83 100 97 0.760 32.24 -0.4 89 94 75 92 226 8.9 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4367 1681.5 8.8 scans 47% 57 m/z 0.40% 0.112% 4836 0.9 193 114528 4409552 4023854 2-2 19: 57 71 85 43 56 41 197 55 196 99 113 127 70 198 84 141 69 83 42 0.812 32.44 -0.2 85 87 80 86 226 7.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 8.6 scans 76% 205 m/z (126) 0.88% 0.266% 4876 1.0 269 52464 10429041 9343103 2-2 20: 205 91 119 105 93 43 159 79 107 162 147 77 41 187 131 106 121 145 69 146 0.979 32.67 -0.2 93 94 92 98 220 15.8 0.346 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8629 1699.4 7.7 scans 33% 70 m/z (149 207) 0.48% 0.0860% 4909 1.1 159 96236 3372458 2985410 9-4 5: 70 139 196 195 201 0.788 32.87 -0.1 74 85 77 87 186 3.3 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9285 1702.1 8.2 scans 48% 71 m/z (149) 0.17% 0.136% 4920 0.7 189 270653 5359126 4771903 3-7 12: 71 43 159 243 155 72 173 244 89 73 211 156 0.904 32.93 -0.2 94 97 95 99 243 30.2 2.569 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0878 1708.8 7.5 scans 52% 83 m/z (216) 1.3% 0.0842% 4946 1.1 160 33275 3299770 2864020 2-7 20: 83 97 55 69 111 57 41 56 70 84 98 71 82 85 67 39 54 125 96 110 0.933 33.09 0.1 90 93 96 98 224 9.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.6 scans 74% 57 m/z (196) 0.21% 0.261% 4984 0.6 269 217997 10257690 9626676 2-8 18: 57 71 43 85 41 55 99 56 70 42 113 84 98 112 141 72 58 39 0.954 33.37 -2.8 89 94 94 97 226 30.9 1.320 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8931 1728.2 7.2 scans 33% 71 m/z 1.3% 0.0220% 5083 1.0 108 35196 862457 831334 1-0 19: 71 43 57 85 70 197 99 41 196 55 168 56 113 127 198 83 69 72 42 0.801 33.90 -0.1 90 94 80 91 197 22.3 4.245 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2691 1733.6 8.0 scans 39% 57 m/z (173) 0.78% 0.0580% 5147 0.9 132 58802 2276411 2152784 1-1 15: 57 71 85 43 211 210 98 41 113 182 183 141 127 107 187 0.861 34.27 0.0 87 93 86 97 211 25.5 3.756 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3659 1735.0 8.9 scans 95% 355 m/z 0.011% 6.07% 5163 0.6 1324 4152133 238117668 224223355 2-2 20: 355 73 221 147 281 401 357 282 415 402 327 267 207 385 416 325 341 191 133 339 0.997 34.39 452.0 81 100 99 100 415 163.3 1.522 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7644 1740.7 11.6 scans 82% 91 m/z 0.049% 1.00% 5231 0.4 471 935902 39187324 38104882 2-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 39 106 77 64 200 51 156 134 0.985 34.79 451.7 80 99 97 99 199 132.8 7.942 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 8.0 scans 44% 68 m/z (71) 0.70% 0.104% 5253 1.3 179 65240 4107331 3854917 2-3 2: 68 224 0.908 34.90 -0.0 91 93 97 98 224 22.9 1.638 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6824 1753.8 8.8 scans 51% 123 m/z (225 70) 0.32% 0.140% 5386 1.4 191 141177 5521876 5088560 2-2 13: 123 124 194 125 109 175 91 131 167 122 149 151 147 0.944 35.70 451.1 69 93 88 94 224 11.7 0.372 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5372 1766.1 7.3 scans 20% 221 m/z 1.4% 0.0296% 5531 1.0 102 30964 1161198 1084166 2-4 13: 221 73 147 295 222 281 369 223 341 296 148 279 282 0.765 36.58 449.6 74 96 78 95 369 17.0 2.776 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2042 1775.6 9.0 scans 5.6% 224 m/z 2.6% 0.00659% 5644 0.8 47 17640 258390 233661 3-1 14: 224 167 155 210 178 165 225 179 105 183 117 166 129 163 0.433 37.20 449.3 62 94 44 91 224 21.5 20.608 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3040 1777.0 9.7 scans 60% 85 m/z (129) 0.67% 0.145% 5661 1.4 185 68913 5706891 5127162 1-3 20: 85 71 57 43 99 84 113 55 127 69 141 155 56 83 72 97 86 154 58 125 0.958 38.91 -23.0 82 87 94 86 254 3.0 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 7.9 scans 66% 57 m/z 0.32% 0.135% 5788 1.0 222 144185 5297474 5002668 2-1 20: 57 71 85 43 56 41 225 99 55 224 113 69 70 127 141 98 155 83 42 97 0.905 38.06 448.1 77 98 90 97 225 43.9 3.909 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5744 1795.2 9.0 scans 87% 73 m/z 0.063% 0.906% 5876 1.1 503 734174 35513321 32776357 2-3 20: 73 147 429 221 355 430 281 341 431 207 356 401 222 357 74 148 282 295 325 459 0.976 38.59 447.1 80 100 97 100 429 147.0 8.550 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4428 1866.1 7.7 scans 54% 74 m/z 0.40% 0.0897% 6023 1.0 174 114671 3518084 3321844 2-3 16: 74 87 143 75 213 41 256 59 129 171 225 88 101 102 199 157 0.815 39.45 504.6 70 94 76 93 256 27.7 2.536 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.7603 1905.4 7.7 scans 91% TIC 0.13% 0.799% 6077 1.0 525 338802 31311536 30125642 2-1 0.992 39.94 536.3 80 99 98 99 278 27.5 0.275 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8843 1920.8 8.1 scans 76% 58 m/z 0.31% 0.245% 6098 1.0 287 147232 9606706 8704624 1-4 20: 58 43 71 59 57 85 55 109 69 95 41 110 124 83 81 70 123 250 56 111 0.948 39.88 552.5 78 98 95 97 250 30.5 1.126 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3041 1972.8 7.8 scans 44% 149 m/z (84) 0.28% 0.0589% 6169 1.0 135 164171 2311441 2138396 2-4 9: 149 150 223 104 76 167 205 65 50 0.951 40.31 597.9 77 99 95 99 223 28.8 4.586 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6116 2011.0 6.7 scans 37% 221 m/z (253) 1.8% 0.0246% 6221 1.1 92 25397 964592 901835 3-6 20: 221 73 147 295 281 222 207 369 296 279 223 148 370 401 355 325 297 282 267 265 0.876 40.63 630.9 73 99 90 98 369 16.3 3.103 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1254 Phytol 40.8466 2040.1 8.1 scans 41% 81 m/z (184) 2.7% 0.0487% 6261 1.4 112 16763 1908767 1757506 1-2 11: 81 82 95 123 68 96 67 109 124 110 138 0.907 40.87 -2.6 90 97 89 95 278 14.6 1.678 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BQLD_R~1-N1056 ?? Homosalate 40.9936 2058.3 >8 scans 20% TIC 3.9% 0.00560% 6286 0.7 74 11772 219789 203998 1-0 0.612 41.00 672.5 61 89 58 96 262 8.9 1.455 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N407_R~1-N1144 ?? Sclareoloxide 41.0957 2071.0 8.7 scans 33% 262 m/z (87) 4.1% 0.0455% 6303 1.0 111 11046 1784792 1596528 1-2 11: 262 109 191 107 229 136 247 121 244 177 124 0.768 41.13 683.2 67 94 74 92 262 18.3 2.707 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2397 2088.8 8.1 scans 85% 79 m/z (253) 0.14% 0.641% 6328 1.0 437 312527 25135461 23155674 2-2 20: 79 67 93 95 80 91 55 108 81 41 121 77 94 107 87 135 59 78 105 122 0.962 41.26 -2.2 96 98 95 99 264 30.7 0.495 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4375 2113.4 8.7 scans 75% TIC 0.36% 0.323% 6361 0.8 317 125434 12667311 12008774 2-1 0.907 41.49 -83.2 84 99 90 99 276 21.3 0.451 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.5561 2123.1 8.2 scans 20% 187 m/z (225) 4.7% 0.0202% 6381 1.0 76 9710 795254 721260 2-7 8: 187 272 159 145 273 160 188 257 0.746 41.76 725.4 64 92 60 91 272 20.5 7.387 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8289 2138.4 8.4 scans 37% 57 m/z (96) 1.8% 0.0413% 6427 0.8 101 24453 1620673 1456194 1-3 19: 57 71 85 43 84 182 112 99 56 140 253 41 111 252 228 67 86 141 156 0.878 41.48 19.4 66 75 87 80 268 1.9 0.000 0.346 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0154 2148.9 8.1 scans 93% 74 m/z 0.019% 2.56% 6459 0.6 887 2358939 100491900 93745590 2-2 20: 74 87 143 43 55 75 227 41 69 57 129 239 83 59 97 185 101 171 88 71 0.990 42.01 746.9 80 99 99 99 272 21.9 0.061 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3525 2167.8 7.7 scans 58% 73 m/z 0.50% 0.0862% 6516 1.0 166 91293 3380750 3150473 2-3 20: 73 147 281 221 355 429 503 341 207 282 283 415 430 401 148 222 74 504 295 431 0.873 42.37 758.8 73 94 85 97 503 28.8 3.008 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N406_R~1-N1112 ? Phyllocladene 43.0898 2209.2 >10 scans 13% 272 m/z (57) 8.0% 0.00837% 6641 0.9 47 5782 0.0218% 328075 291229 854234 4-0 12: 272 159 187 105 188 147 161 91 160 106 133 77 0.657 43.24 -8.2 75 86 51 83 272 15.0 10.282 -0.146 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8519 2252.0 8.3 scans 55% 71 m/z (205) 1.5% 0.0542% 6770 1.0 121 30008 2126858 1829556 2-6 18: 71 57 85 43 127 267 55 99 41 69 113 126 239 84 70 112 56 268 0.955 43.94 -4.7 65 64 87 84 282 4.4 0.129 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN N419_R~1-N1158 ?? Manool oxide 44.2658 2275.7 8.9 scans 18% 95 m/z (221) 11% 0.00710% 6840 1.0 45 3873 278521 266174 1-0 19: 95 192 276 177 257 139 107 189 135 81 205 123 137 79 109 93 67 161 163 0.577 43.83 838.1 65 95 54 90 275 15.4 0.000 0.439 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BQLD_R~1-N1054 ?? Manool 45.1572 2327.0 8.6 scans 50% 137 m/z (97) 1.8% 0.0765% 6991 1.6 136 24434 2998152 2739642 2-1 15: 137 95 81 93 257 69 123 109 119 121 67 80 136 105 148 0.855 45.16 863.3 65 92 72 89 272 12.1 0.786 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1234 ? Thunbergol 45.1572 2327.0 9.0 scans 66% TIC 1.8% 0.0788% 6991 1.2 156 24434 0.100% 3087971 2838796 3918505 3-0 0.845 44.90 14.8 79 81 71 79 272 12.1 0.600 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7994 2363.9 7.6 scans 46% 73 m/z 1.3% 0.0310% 7100 1.0 101 33233 1214776 1132523 3-1 19: 73 355 147 221 281 356 357 207 282 429 148 222 283 74 430 401 415 149 417 0.848 45.78 1.3 93 95 79 93 503 11.0 1.177 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9228 2371.0 >10 scans 19% 87 m/z (67) 2.7% 0.0146% 7120 1.1 62 16935 0.0316% 575912 542971 1238248 2-0 11: 87 207 199 143 298 75 255 213 256 185 157 0.757 45.92 892.3 61 91 64 88 298 9.6 2.408 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1017 2381.3 8.0 scans 81% 79 m/z (76) 0.14% 0.700% 7151 1.1 451 328768 27451344 25084319 1-7 19: 79 67 95 93 80 108 81 55 91 41 107 94 77 121 135 149 78 59 109 0.892 46.13 -1.9 93 96 91 99 292 32.8 0.529 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1022 Henicosane 46.1784 2385.7 >7 scans 61% TIC 0.53% 0.0736% 7164 1.9 174 86710 0.591% 2885455 2803524 23158366 0-1 0.951 46.28 -6.0 93 94 85 93 296 15.1 0.758 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7564 2419.0 8.4 scans 70% TIC 0.48% 0.0884% 7262 1.2 169 95591 3467773 3189200 3-3 0.874 46.76 923.9 78 98 85 97 298 32.1 3.620 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6944 2473.0 6.9 scans 15% 221 m/z (99) 11% 0.00283% 7420 1.1 30 3897 110876 96227 2-3 6: 221 369 281 296 147 295 0.642 44.32 1025.7 65 97 68 93 369 7.9 6.756 3.374 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9394 2544.7 7.7 scans 59% 73 m/z (327) 2.3% 0.0200% 7632 1.0 78 19721 787299 716511 2-6 19: 73 147 221 355 429 430 207 356 281 295 341 415 222 265 205 148 223 369 357 0.800 48.95 994.3 71 98 84 98 429 22.1 8.057 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN HCMIX_~1-N1026 ? Tricosane 50.5823 2639.2 7.7 scans 47% 57 m/z 3.4% 0.00937% 7910 1.1 58 13333 367240 333412 3-3 17: 57 71 85 43 127 55 99 41 82 69 125 97 70 56 183 168 72 0.693 50.69 -6.0 79 85 60 79 324 5.4 0.000 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8568 2712.5 8.3 scans 30% 73 m/z 3.6% 0.00785% 8126 1.5 48 12525 307621 282882 3-7 16: 73 147 221 355 222 281 295 356 401 74 503 148 357 431 369 133 0.499 51.86 1081.6 69 94 49 89 503 9.8 4.178 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6308 2872.1 10.9 scans 39% TIC 6.3% 0.00555% 8596 1.1 43 7252 217471 187727 5-1 0.721 45.81 1395.6 64 89 65 87 503 6.4 2.264 8.819 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1275 771.7 5.5 scans 87% 77 m/z (74) 0.039% 0.305% 41 2.8 329 1209129 12978503 11168437 1-7 17: 77 45 78 79 62 76 59 75 63 61 47 46 92 60 58 64 80 0.991 4.37 17.7 99 100 100 100 77 279.9 72.606 -0.244 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5803 835.6 >21 scans 61% 191 m/z 0.47% 0.0708% 457 2.2 109 100545 3005250 2783221 2-0 20: 191 209 97 119 163 210 135 192 134 115 165 211 75 178 161 176 149 179 105 88 0.792 6.53 -141.2 79 100 86 99 207 80.7 55.271 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N506_R~1-N1176 2-Hexenal 7.7108 865.0 9.8 scans 94% 69 m/z (67) 0.040% 2.80% 648 1.1 790 1163016 119170189 106632791 2-4 20: 69 55 83 41 39 57 42 98 70 97 56 43 80 53 79 54 68 40 51 38 0.998 7.71 9.7 99 100 100 100 98 157.8 3.987 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.4452 988.3 >12 scans 24% 109 m/z (73) 2.9% 0.0228% 1449 1.4 60 15975 971697 709327 4-5 11: 109 284 79 282 283 251 96 66 94 193 110 0.392 12.22 42.0 80 92 36 98 281 32.2 28.579 0.225 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1022 ? Octanal 12.9370 1001.1 7.9 scans 77% 57 m/z 0.66% 0.148% 1533 1.4 224 71242 6281789 5783529 2-5 20: 57 43 56 41 84 55 44 69 82 68 42 81 85 39 67 100 71 95 72 110 0.966 12.96 -173.7 79 100 97 100 110 24.3 1.177 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2398 1009.3 11.2 scans 71% 81 m/z 0.24% 0.148% 1584 2.3 178 198352 6312255 5527347 2-3 20: 81 110 53 79 67 39 41 77 82 65 68 51 55 109 54 50 80 52 111 63 0.918 13.22 45.7 90 98 92 97 110 49.5 7.740 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1016 Limonene 13.9110 1027.5 8.5 scans 79% TIC 0.38% 0.158% 1698 1.0 227 122923 6722927 6031675 5-1 0.928 13.89 52.2 90 99 95 99 136 45.2 3.951 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0917 1032.4 10.5 scans 76% 79 m/z 0.33% 0.165% 1729 1.6 202 140913 7020614 6612926 1-3 18: 79 108 107 77 51 91 78 80 50 63 109 65 52 105 74 53 62 37 0.951 14.11 53.4 92 100 95 100 108 91.2 20.476 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4535 1042.2 9.7 scans 74% 91 m/z 0.10% 0.243% 1790 1.6 242 440282 10352026 9347266 2-5 20: 91 92 120 65 63 39 89 51 90 62 121 50 64 74 93 38 61 66 52 78 0.969 14.44 57.4 91 100 98 100 120 78.9 10.659 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1814 1061.9 22.9 scans 78% 105 m/z 0.12% 0.342% 1913 1.5 268 394021 0.465% 14531626 13545566 19736520 3-0 20: 105 77 123 51 46 106 50 94 78 74 124 76 66 79 52 38 40 73 37 64 0.966 15.17 64.5 87 98 95 97 123 96.2 12.910 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN 98-86-2 ?? Acetophenone 15.2587 1064.0 >12 scans 40% 105 m/z (122) 0.31% 0.132% 1927 1.5 172 151954 0.246% 5629040 5338896 10441256 0-1 20: 105 59 81 107 95 51 168 68 67 79 121 78 135 91 80 41 82 55 110 60 0.770 15.29 -181.7 63 88 77 98 120 62.3 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4335 1068.7 9.0 scans 44% TIC 0.43% 0.0461% 1956 1.1 149 108534 1959422 1860315 1-0 0.687 15.43 67.0 80 98 79 99 124 47.4 10.116 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1002 Undecane 16.6153 1101.2 >11 scans 60% TIC 1.1% 0.0414% 2156 1.1 118 40460 1760280 1660980 3-0 0.827 16.59 1.2 89 93 88 94 156 13.8 1.377 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1016 Nonanal 16.8072 1109.3 9.2 scans 92% 57 m/z 0.043% 2.13% 2189 0.7 775 1093689 90456877 82250917 3-4 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 71 42 54 83 0.997 16.82 86.9 82 97 98 99 124 52.7 0.463 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9713 1116.2 >10 scans 61% TIC 0.56% 0.0448% 2216 1.0 152 83818 1903965 1812449 1-0 0.937 16.97 91.5 80 99 92 98 128 39.7 6.815 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0622 1120.1 8.9 scans 88% TIC 0.061% 0.454% 2232 1.2 358 778383 0.522% 19309544 17405163 22155836 2-3 0.973 17.05 94.1 82 100 97 100 122 120.4 11.299 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0705 1162.7 8.6 scans 72% 73 m/z 0.35% 0.115% 2402 1.4 184 132660 4917718 4533595 3-3 20: 73 355 267 356 357 268 269 251 74 358 249 323 207 179 155 237 59 45 162 253 0.899 18.13 -169.0 79 99 87 99 355 82.5 20.135 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2446 1170.0 9.8 scans 5.8% 282 m/z 8.0% 0.00308% 2432 1.7 28 5900 0.00325% 131113 125159 137943 1-0 8: 282 265 193 88 281 207 283 355 0.136 12.25 16.9 79 92 28 89 281 18.7 44.075 5.994 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7092 1189.7 8.2 scans 57% 98 m/z (132) 2.3% 0.0386% 2511 1.0 108 20444 1639503 1487125 2-1 19: 98 55 69 111 82 41 125 97 100 126 67 39 95 80 108 81 109 53 110 0.912 18.71 138.9 74 98 95 98 153 5.6 0.273 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8285 1194.7 8.7 scans 69% 70 m/z 1.1% 0.0778% 2531 1.0 158 40065 3302425 2945496 1-4 20: 70 83 55 41 43 69 57 84 39 96 56 81 42 67 98 97 93 68 72 54 0.939 18.83 142.0 72 92 92 99 122 11.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1024 ?? p-Cymene 19.2529 1212.6 10.8 scans 1.6% 119 m/z (139) 5.1% 0.00639% 2603 1.2 40 9298 271610 262628 3-1 4: 119 91 134 143 0.211 13.76 13.1 69 80 61 79 134 16.8 17.871 5.496 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8001 1235.7 9.5 scans 66% 57 m/z 0.15% 0.309% 2696 1.1 290 301076 13155322 11753840 2-3 17: 57 45 41 75 87 56 89 85 100 101 59 73 44 60 58 72 132 0.845 19.81 168.2 79 99 97 99 144 7.1 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1004 ? Dodecane 20.3173 1257.6 11.0 scans 37% 57 m/z (107) 1.6% 0.0445% 2783 0.9 100 28273 1891715 1746377 3-1 8: 57 97 43 71 139 170 128 125 0.654 20.32 -0.1 79 92 79 90 170 10.4 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5351 1264.2 8.3 scans 93% 57 m/z 0.10% 1.05% 2820 0.8 577 453812 44808150 41010836 4-7 20: 57 41 43 55 82 70 71 68 83 56 44 81 69 112 67 95 96 42 84 110 0.993 16.82 -27.2 70 71 84 74 124 0.0 0.000 3.720 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9419 1276.4 10.7 scans 68% 94 m/z (137) 0.24% 0.137% 2889 1.6 175 192435 5828105 5368599 3-3 6: 94 138 66 51 64 139 0.982 20.98 191.4 76 97 93 99 152 3.9 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9961 1278.0 8.7 scans 71% 137 m/z (94) 0.44% 0.200% 2898 1.0 241 107047 8530251 7924928 3-2 17: 137 152 109 123 81 67 91 79 93 41 55 53 119 153 110 124 96 0.978 21.00 192.7 61 84 79 84 155 2.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1024 ?? Hexadecane 21.0800 1280.5 9.1 scans 11% 71 m/z (74) 3.6% 0.0119% 2913 1.5 56 12979 507707 458512 0-2 5: 71 85 70 99 113 0.919 33.32 13.5 60 64 66 69 226 0.0 0.000 -12.239 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1042 ? Phytol 21.2311 1285.0 >19 scans 25% 67 m/z (135) 4.4% 0.0354% 2938 2.2 75 10612 1503913 1342993 0-3 8: 67 53 69 38 54 127 106 90 0.768 35.35 -12.4 75 83 67 81 196 0.0 0.000 -14.116 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1040 ?? Nonanoic acid 22.9295 1336.0 >22 scans 25% 60 m/z (109) 0.39% 0.184% 3226 0.2 162 119707 7822149 7400359 0-10 13: 60 73 129 115 61 87 74 45 101 98 116 158 130 0.477 22.70 -139.3 61 93 53 91 158 15.0 0.853 0.233 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.6928 1358.9 7.1 scans 46% 71 m/z (147) 1.9% 0.0223% 3355 1.0 89 24591 946868 845853 1-2 19: 71 57 85 43 127 41 83 113 84 70 155 56 55 69 72 212 169 98 126 0.937 23.86 -5.1 76 81 87 81 184 0.0 0.000 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0871 1371.5 7.3 scans 65% 341 m/z 0.19% 0.200% 3422 0.9 269 248283 8513266 7894787 2-4 19: 341 73 429 342 325 147 430 343 326 74 431 344 327 207 311 45 251 253 75 0.885 24.17 -152.3 79 99 87 99 429 82.8 9.446 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5417 1386.7 7.7 scans 72% 71 m/z (91) 0.45% 0.109% 3499 1.3 185 103995 4668288 4258166 1-3 14: 71 57 85 43 84 70 127 99 113 56 126 72 86 58 0.975 24.54 249.4 77 99 97 100 169 20.1 1.176 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6733 1391.1 7.9 scans 43% 43 m/z 0.89% 0.0396% 3521 1.4 121 53344 1684033 1524966 0-2 18: 43 83 41 82 55 142 58 113 143 111 56 39 93 70 67 68 127 53 0.699 24.70 251.5 64 92 77 90 170 2.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1857 1408.2 8.3 scans 27% 43 m/z 0.62% 0.0246% 3608 1.0 89 76180 0.0423% 1047047 938481 1795387 6-0 14: 43 145 103 116 86 115 61 73 151 74 146 88 169 87 0.802 25.24 -151.7 73 99 87 98 145 33.8 14.255 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4000 1415.4 8.9 scans 74% 84 m/z (99) 0.12% 0.255% 3644 1.7 253 370884 10840871 9474341 2-5 19: 84 133 162 161 42 119 92 118 130 65 78 51 82 134 117 163 63 159 104 0.910 25.89 258.4 73 95 81 94 162 67.3 7.053 -0.492 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N406_R~1-N1094 ?? Geranyl-a-terpinene 25.4224 1416.1 13.1 scans 13% 120 m/z (71) 1.3% 0.0478% 3648 1.0 96 34057 2029299 1867091 1-6 17: 120 105 159 55 107 145 110 81 58 45 68 94 40 179 158 115 153 0.149 40.24 42.2 61 75 42 72 272 0.0 0.000 -14.822 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.7778 1428.0 7.4 scans 42% 93 m/z (85) 1.3% 0.0406% 3708 1.0 118 34139 1726773 1610442 6-1 10: 93 121 136 71 70 94 155 113 194 154 0.932 25.78 272.7 70 94 89 94 194 14.5 1.502 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0901 1471.8 6.6 scans 43% 221 m/z (178) 1.4% 0.0262% 3931 1.1 100 32172 1115252 1023273 2-3 20: 221 73 147 281 223 222 267 355 148 283 443 207 357 265 444 251 191 339 323 75 0.913 27.12 296.9 75 97 89 97 355 19.2 3.678 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1657 1474.4 8.0 scans 73% 57 m/z (178) 0.36% 0.124% 3943 1.2 198 131337 0.192% 5264760 4962011 8149273 2-0 19: 57 71 85 43 41 70 198 56 55 99 84 98 42 127 112 83 113 126 155 0.972 27.21 -1.4 96 99 96 98 198 24.0 1.465 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8357 1499.4 8.8 scans 64% TIC 0.52% 0.118% 4057 1.1 207 90755 5033499 4710013 1-1 0.816 27.84 314.1 64 91 82 94 212 9.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1032 Myosmine 27.9508 1503.7 11.5 scans 82% 118 m/z 0.11% 0.452% 4076 1.5 323 405413 19201192 18318625 1-2 20: 118 146 145 105 78 119 51 104 147 117 91 63 39 65 42 77 64 50 41 76 0.978 27.93 317.0 80 99 96 99 146 140.9 19.050 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6681 1530.7 8.2 scans 89% 43 m/z 0.034% 1.35% 4198 0.8 663 1394271 57371702 53820444 2-10 20: 43 69 41 151 136 107 125 67 93 109 83 121 53 81 39 68 108 79 55 91 0.981 28.67 333.3 80 99 98 99 194 42.9 0.420 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0913 1546.6 7.8 scans 78% 71 m/z (179) 0.13% 0.474% 4270 1.1 392 355432 0.653% 20151425 19484679 27716017 1-0 20: 71 57 43 85 41 70 55 113 141 56 177 112 99 84 220 97 183 69 42 67 0.945 29.09 342.9 73 96 91 97 220 44.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5046 1562.1 8.4 scans 85% TIC 0.030% 1.86% 4340 1.0 766 1568253 79271453 75608900 1-2 0.940 29.61 -151.0 79 99 93 99 503 135.1 3.113 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7561 1571.6 7.8 scans 67% 123 m/z 0.045% 0.375% 4382 0.9 358 1035667 15939873 14886454 1-8 13: 123 135 124 107 91 95 79 109 77 81 93 125 193 0.903 29.77 357.6 78 98 87 98 193 30.5 0.727 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8363 1574.6 8.4 scans 14% 105 m/z (154) 2.4% 0.0215% 4396 1.0 81 19833 915068 823901 0-3 19: 105 161 94 107 121 91 189 148 147 133 93 119 120 106 136 80 77 162 116 0.870 29.85 359.5 66 91 78 92 204 14.0 2.978 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9391 1578.4 8.6 scans 75% 71 m/z 0.092% 0.586% 4413 0.7 414 515930 24897676 22990855 1-2 20: 71 85 57 43 99 113 41 55 69 70 127 84 155 56 83 169 112 86 42 126 0.920 29.94 362.0 75 96 92 96 254 11.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1640 1586.9 7.9 scans 57% 57 m/z 0.35% 0.126% 4451 1.1 230 133415 0.198% 5363510 4950815 8403938 1-0 20: 57 85 71 43 41 55 99 70 69 56 84 127 98 155 183 141 83 72 86 169 0.928 30.38 -8.0 80 83 91 85 212 3.6 0.000 -0.213 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4946 1599.8 8.1 scans 79% TIC 0.034% 0.548% 4507 1.4 431 1379193 23266647 21019285 1-2 0.940 30.50 375.0 80 99 91 99 206 120.0 7.752 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8683 1615.5 9.3 scans 53% 162 m/z (182) 0.45% 0.112% 4571 0.9 177 105283 4790866 4634524 2-1 18: 162 147 161 105 119 77 115 165 103 131 133 163 79 117 145 63 64 106 0.891 30.88 -0.5 87 91 77 92 204 17.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1977 1629.4 9.6 scans 65% 111 m/z 0.086% 0.560% 4626 0.7 398 553256 23778077 22127712 2-1 20: 111 109 137 180 67 110 124 152 95 41 79 81 39 77 112 69 65 165 53 91 0.842 31.18 394.4 77 97 81 98 180 94.0 5.586 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5028 1642.2 9.1 scans 64% 43 m/z (112) 0.46% 0.122% 4678 1.3 185 103019 5209921 5047961 1-1 20: 43 98 85 111 166 55 127 41 151 68 82 99 123 83 69 67 167 84 53 107 0.968 31.52 -0.5 94 96 95 96 166 32.0 2.989 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7862 1654.1 8.9 scans 10% 193 m/z (147) 2.6% 0.0110% 4726 0.8 55 17927 470300 429500 2-6 4: 193 208 198 194 0.746 31.80 -0.4 66 74 30 78 208 11.9 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9149 1659.5 8.0 scans 54% 71 m/z (115) 0.85% 0.0933% 4748 0.6 161 55522 3964153 3551169 1-1 19: 71 57 85 83 43 82 55 41 99 70 69 113 56 84 127 111 155 112 126 0.970 31.92 -0.2 79 84 92 87 219 3.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0513 1665.3 6.8 scans 21% 221 m/z 1.3% 0.0238% 4771 0.9 96 35285 1010507 960468 2-1 14: 221 73 147 295 222 207 341 355 325 281 148 209 356 279 0.761 32.08 -1.1 94 97 84 96 355 17.4 3.302 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2296 1672.7 8.8 scans 64% 57 m/z (281) 0.43% 0.152% 4801 1.6 194 109356 6484528 6050671 1-1 17: 57 43 71 85 41 99 56 55 183 113 182 70 149 42 141 211 97 0.904 32.24 -0.4 86 90 88 94 226 8.9 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4350 1681.4 10.4 scans 43% 57 m/z (160) 0.66% 0.109% 4836 0.9 162 71865 4642847 4310675 2-2 18: 57 85 71 56 43 197 41 155 55 99 147 42 67 70 127 168 141 86 0.887 32.44 -0.3 79 85 83 86 226 6.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6711 1691.3 8.8 scans 68% 205 m/z (153) 1.4% 0.143% 4875 1.0 201 32108 6094686 5614645 2-4 16: 205 91 119 105 93 159 107 162 79 187 77 131 133 146 145 121 0.975 32.67 -0.2 93 95 92 97 220 12.5 0.386 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8618 1699.3 8.0 scans 15% 70 m/z (149) 1.0% 0.0359% 4908 1.3 99 46043 0.0396% 1526988 1314939 1680788 12-0 2: 70 216 0.796 32.87 -0.2 71 82 74 81 186 0.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9255 1702.0 8.1 scans 57% 71 m/z 0.10% 0.172% 4919 0.8 237 468665 7334546 6730102 5-7 15: 71 43 159 111 243 56 72 155 173 143 89 73 160 126 244 0.906 32.93 -0.3 95 97 93 97 243 38.6 2.640 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0832 1708.6 7.7 scans 40% TIC 2.3% 0.0200% 4946 1.2 115 20124 852668 852668 0-0 0.837 33.09 -0.1 94 98 86 96 224 7.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3040 1717.9 7.2 scans 74% 57 m/z (134) 0.29% 0.166% 4983 0.7 233 162949 7078736 6715128 3-1 19: 57 71 85 43 41 55 99 56 70 226 113 69 42 84 98 112 58 141 72 0.976 33.37 -2.9 95 99 98 99 226 26.9 1.332 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8890 1728.2 7.5 scans 50% 71 m/z (170) 1.1% 0.0516% 5082 1.1 132 42927 2193466 1978026 2-1 19: 71 43 57 85 70 197 41 99 196 55 56 113 168 69 127 141 181 42 54 0.906 33.90 -0.1 90 96 94 98 197 25.2 3.670 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2709 1733.6 7.8 scans 32% 57 m/z (124) 1.5% 0.0258% 5147 0.7 93 30693 1099168 1063721 1-0 18: 57 71 211 85 43 41 98 210 99 56 113 69 141 127 93 183 42 70 0.892 34.27 0.0 87 94 88 93 211 19.2 4.266 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3695 1735.1 9.6 scans 83% 221 m/z 0.010% 5.62% 5164 0.5 1262 4523696 238734807 227051582 2-2 20: 221 281 356 415 402 207 403 385 416 325 341 133 399 205 249 417 489 383 269 268 0.861 34.39 452.1 80 100 82 100 415 168.7 1.790 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7756 1740.9 12.6 scans 83% 91 m/z 0.040% 1.24% 5232 0.4 519 1171997 52723211 51318968 2-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 39 77 200 156 64 51 78 0.971 34.79 451.9 80 99 96 99 199 147.4 8.081 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9002 1742.6 8.0 scans 32% 68 m/z (71) 1.3% 0.0556% 5253 1.4 129 36470 2364066 2194497 2-2 2: 68 224 0.910 34.90 -0.1 93 97 96 98 224 17.0 1.732 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4906 1765.4 6.7 scans 9.8% 221 m/z 1.4% 0.0204% 5523 1.0 91 32857 869964 825179 1-4 15: 221 73 147 295 281 222 369 296 341 343 198 148 370 297 279 0.651 36.58 448.9 70 97 67 94 369 16.9 3.461 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2054 1775.6 8.5 scans 85% TIC 0.039% 0.930% 5644 0.8 550 1210821 39474578 37309298 2-1 0.963 37.20 449.3 80 99 98 99 224 172.6 9.831 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0502 1787.7 8.3 scans 54% 57 m/z 0.54% 0.0713% 5787 1.2 163 86809 3029441 2761724 2-2 20: 57 71 85 43 56 41 225 99 55 224 113 141 69 127 169 70 83 98 239 197 0.844 38.06 448.0 75 96 82 94 225 32.4 3.923 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5738 1795.2 10.8 scans 97% 73 m/z 0.011% 7.64% 5876 0.5 1388 4121801 324672272 308768195 2-3 20: 73 147 221 355 341 281 207 74 223 325 342 208 75 191 296 402 249 385 339 279 0.996 38.59 447.1 80 99 98 99 429 411.3 8.784 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8106 1798.6 11.6 scans 56% 71 m/z (127) 0.68% 0.0930% 5916 1.2 146 69819 3951047 3789193 1-1 20: 71 85 41 55 99 113 69 56 72 42 84 169 111 86 58 128 68 210 83 112 0.946 38.91 -1.4 84 91 90 89 254 12.4 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4416 1865.9 7.9 scans 43% 74 m/z (135) 1.2% 0.0413% 6023 1.0 114 37268 1753406 1600813 3-3 15: 74 87 228 102 143 59 256 211 101 88 129 157 144 260 73 0.876 39.45 504.4 72 98 90 99 256 15.7 1.899 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1018 ? Neophytadiene 39.7651 1906.0 7.8 scans 93% 68 m/z 0.077% 1.41% 6078 0.8 700 617091 59860865 57085652 1-2 20: 68 95 82 123 69 57 55 81 43 83 67 97 71 96 109 124 111 79 56 85 0.992 39.94 536.9 79 99 99 99 278 36.3 0.269 -0.171 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8808 1920.4 7.8 scans 66% 58 m/z 0.47% 0.135% 6097 1.2 226 99974 5743725 5270690 2-4 15: 58 43 71 59 55 109 95 41 124 81 123 250 113 96 82 0.906 39.88 552.1 77 98 91 97 250 23.7 1.103 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3006 1972.4 7.9 scans 48% 149 m/z 0.16% 0.0836% 6168 1.2 165 289836 3550311 3166026 3-8 13: 149 150 223 104 76 167 65 205 121 93 50 122 151 0.840 40.31 597.5 77 99 79 98 223 38.8 5.539 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N406_R~1-N1110 Phytol 40.3808 1982.4 7.3 scans 50% 82 m/z (224) 0.90% 0.0955% 6182 1.5 173 52447 4054966 3744318 8-2 11: 82 81 95 123 79 96 67 124 278 110 53 0.906 40.66 -34.8 85 96 86 94 278 22.2 1.641 -0.281 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6058 2010.2 6.8 scans 35% 221 m/z (55) 2.0% 0.0202% 6220 1.0 86 23772 860303 790164 2-4 18: 221 73 147 281 295 207 369 296 223 282 370 74 341 283 327 265 325 357 0.844 40.63 630.1 72 98 87 98 369 15.1 3.052 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1254 Phytol 40.8407 2039.4 7.5 scans 72% 82 m/z (279) 1.1% 0.106% 6260 1.1 187 40525 4501819 4207309 2-3 11: 82 95 81 123 68 278 79 67 96 124 109 0.898 40.87 -3.3 92 97 95 96 278 21.4 1.315 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9901 2057.9 7.8 scans 22% 138 m/z 2.1% 0.0157% 6285 0.9 81 21996 666722 614124 1-1 12: 138 120 109 121 69 124 139 65 82 92 68 64 0.672 41.00 672.1 73 99 68 96 262 11.7 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.0892 2070.2 8.9 scans 61% 109 m/z (74) 1.3% 0.127% 6302 1.2 189 36336 5431431 4997077 2-2 18: 109 262 191 95 123 107 121 151 229 177 93 79 81 137 91 67 41 135 0.932 41.13 682.4 75 98 93 99 262 36.7 3.753 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2356 2088.3 8.1 scans 75% 79 m/z (191) 0.49% 0.191% 6327 1.1 243 96059 8111219 7477810 2-2 20: 79 67 93 95 80 91 108 55 41 81 121 77 94 107 135 59 87 78 122 66 0.969 41.26 -2.7 96 98 97 99 264 16.8 0.478 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1018 Nonadecane 41.3909 2107.6 11.5 scans 35% 71 m/z (194) 0.83% 0.0851% 6353 2.1 136 57233 3614433 3290325 4-2 16: 71 85 43 99 56 197 155 127 196 268 169 86 112 126 211 269 0.852 41.48 -11.4 88 95 87 94 268 12.4 0.833 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4310 2112.6 8.2 scans 71% 205 m/z (71) 0.46% 0.258% 6360 0.9 284 101685 10977995 10311388 2-2 17: 205 217 175 189 177 220 232 91 261 203 191 192 157 206 77 109 176 0.949 41.49 -84.0 82 100 94 99 276 18.8 0.438 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0019 2148.1 8.1 scans 93% TIC 0.032% 1.40% 6457 0.8 683 1468487 59730660 57027717 2-2 0.986 42.01 746.1 80 100 99 100 272 16.9 0.061 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3112 2165.5 9.4 scans 90% 73 m/z 0.053% 1.18% 6509 1.3 575 894016 50148274 46098197 2-3 20: 73 147 281 221 355 429 503 341 207 282 356 430 504 148 222 283 415 74 431 295 0.983 42.37 756.5 74 91 94 98 503 97.3 2.860 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1020 ? Icosane 43.8473 2251.7 8.6 scans 51% 71 m/z (205) 1.7% 0.0390% 6769 1.2 106 27914 1655527 1546852 2-3 20: 71 57 85 43 127 99 55 41 267 84 69 113 169 126 86 83 141 56 70 239 0.882 43.94 -5.0 76 92 88 90 282 6.1 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2959 2277.4 6.6 scans 23% 221 m/z 5.4% 0.00468% 6846 1.0 46 8689 198836 180989 2-1 17: 221 147 73 282 281 207 369 296 223 297 355 148 356 74 370 131 208 0.717 44.32 830.1 68 97 68 93 369 10.1 4.787 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1560 2326.9 8.5 scans 58% 137 m/z 2.3% 0.0586% 6990 1.3 134 20340 2489768 2188960 3-7 19: 137 95 81 93 69 79 71 123 55 107 109 67 41 121 94 105 91 80 177 0.746 44.90 14.7 80 83 64 80 272 10.9 0.000 0.255 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7877 2363.3 7.8 scans 73% 73 m/z (111) 0.58% 0.0833% 7098 1.0 164 80758 3536593 3323724 2-2 20: 73 355 147 221 281 356 415 207 341 282 74 148 283 222 357 503 429 191 358 430 0.898 45.78 0.7 96 98 89 97 503 15.4 0.890 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9122 2370.4 8.4 scans 39% 74 m/z (67) 2.0% 0.0232% 7119 1.5 78 23709 987388 884409 2-4 11: 74 199 255 299 213 143 75 88 185 144 269 0.769 45.92 891.7 71 96 79 93 298 13.8 3.171 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0940 2380.9 7.9 scans 76% 79 m/z (74) 0.44% 0.190% 7150 1.2 241 106122 8069104 7452461 2-1 20: 79 67 95 93 80 108 81 91 94 55 41 107 77 121 135 78 149 261 59 109 0.951 46.13 -2.3 93 96 93 97 292 18.8 0.610 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1022 Henicosane 46.1873 2386.3 7.9 scans 91% 57 m/z (74) 0.092% 0.638% 7166 0.9 439 515386 27099812 23996895 10-4 20: 57 71 85 43 41 55 99 56 113 69 70 83 127 97 84 141 42 98 112 155 0.989 46.28 -5.4 98 99 98 99 296 35.8 0.663 -0.095 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7564 2419.0 7.7 scans 61% 74 m/z 0.84% 0.0420% 7262 1.1 123 56100 1784386 1686058 2-4 19: 74 87 143 75 43 298 199 55 255 41 69 83 129 101 97 59 185 144 269 0.844 46.76 923.9 76 97 81 95 298 24.1 3.864 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5014 2461.9 8.2 scans 23% 138 m/z (85) 7.4% 0.00468% 7388 1.0 38 6379 198986 183634 1-4 7: 138 120 121 306 70 168 92 0.679 47.50 949.1 66 94 59 91 168 6.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1024 ?? Docosane 48.4329 2515.5 9.1 scans 27% 85 m/z (148) 6.8% 0.00533% 7546 1.2 36 6911 226330 226330 0-0 10: 85 43 70 99 41 95 141 84 96 112 0.485 48.53 -5.5 69 83 46 77 310 4.0 0.000 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9353 2544.4 7.7 scans 53% 73 m/z (105) 2.8% 0.0138% 7631 1.1 66 16829 586465 543728 2-4 19: 73 147 429 281 430 282 221 207 148 415 431 223 327 355 325 341 401 432 283 0.738 48.95 994.0 70 98 75 97 429 19.6 8.709 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN HCMIX_~1-N1026 Tricosane 50.5812 2639.1 7.9 scans 82% 57 m/z 0.62% 0.0800% 7910 1.0 163 76051 3398934 3094937 3-3 20: 57 71 85 43 55 99 41 56 113 69 83 70 97 127 126 98 169 111 72 140 0.917 50.69 -6.1 94 96 88 93 324 12.4 0.000 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8509 2712.2 8.2 scans 38% 73 m/z 4.4% 0.00727% 8125 1.2 48 10687 308894 280098 2-1 19: 73 221 147 429 355 281 341 295 356 401 357 503 222 223 74 504 283 369 430 0.610 51.86 1081.3 68 93 58 89 503 8.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1040 771.1 5.5 scans 83% 77 m/z 0.049% 0.249% 37 2.9 279 902703 9319735 7655524 1-7 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 58 64 48 0.992 4.37 17.1 100 100 99 100 77 239.7 73.648 -0.267 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1014 Contamination 6.52min 6.5816 835.6 >14 scans 68% TIC 0.48% 0.0472% 456 1.4 104 92140 0.0711% 1763359 1703090 2654651 1-0 0.877 6.53 -141.2 80 100 89 99 207 76.6 54.496 0.054 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6861 864.4 9.0 scans 93% 69 m/z (47) 0.061% 1.86% 643 1.3 621 736314 69598381 60246733 2-5 20: 69 55 41 83 39 42 57 98 70 97 56 43 80 53 54 40 79 68 51 38 0.989 7.71 9.1 99 100 100 100 98 121.8 3.852 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2499 983.2 9.0 scans 18% 99 m/z (43) 0.79% 0.0323% 1416 1.2 85 56624 1206109 1182282 0-2 3: 99 192 253 0.821 12.22 36.9 91 99 85 99 281 60.0 50.171 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1022 ? Octanal 12.9323 1001.0 7.9 scans 69% 57 m/z 0.91% 0.110% 1532 1.3 182 48877 4122194 3850791 1-5 20: 57 56 84 43 41 44 55 69 82 42 68 81 85 39 67 100 95 71 110 53 0.937 12.96 -173.8 79 99 94 99 110 20.9 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2387 1009.3 10.4 scans 75% 81 m/z (59) 0.31% 0.133% 1584 1.8 158 143558 4970104 4632671 1-3 20: 81 53 79 39 67 41 82 110 68 65 77 51 55 62 40 111 54 80 109 50 0.904 13.22 45.7 90 99 96 99 110 41.5 6.935 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1016 Limonene 13.9070 1027.4 8.4 scans 77% TIC 0.57% 0.108% 1697 1.0 179 77817 4069498 3808114 3-1 0.906 13.89 52.1 90 99 94 99 136 36.2 4.077 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0923 1032.4 10.0 scans 68% 79 m/z 0.55% 0.0965% 1729 1.4 148 81296 3604692 3389751 1-2 18: 79 108 107 77 51 91 90 50 78 65 105 80 52 74 62 75 49 64 0.911 14.11 53.4 91 99 90 99 108 69.1 21.812 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4483 1042.1 9.4 scans 54% 91 m/z 0.23% 0.104% 1789 1.4 154 187725 3905517 3402551 2-6 17: 91 92 120 65 63 89 51 64 50 62 61 90 74 78 38 52 76 0.955 14.44 57.3 91 100 95 99 120 51.0 11.036 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1780 1061.8 11.7 scans 84% 105 m/z 0.085% 0.489% 1913 1.5 302 523194 0.598% 18274759 17496540 22327448 2-0 20: 105 77 123 51 46 106 50 78 74 124 76 109 75 79 52 104 38 49 63 40 0.961 15.17 64.4 88 98 96 98 123 109.2 13.089 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN 98-86-2 ?? Acetophenone 15.3149 1065.5 >5 scans 46% 111 m/z (59) 0.68% 0.0432% 1934 999.0 117 65156 1613164 1394006 0-1 4: 111 168 46 140 0.963 15.29 -180.2 63 79 76 98 120 34.1 8.474 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4294 1068.6 8.7 scans 50% TIC 0.40% 0.0651% 1955 1.2 152 111737 0.120% 2433632 2343927 4480424 0-1 0.679 15.43 66.9 80 99 80 99 124 49.0 10.413 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1002 Undecane 16.6107 1101.0 10.8 scans 61% TIC 1.4% 0.0356% 2155 1.2 102 31279 1330329 1190415 3-1 0.837 16.59 1.0 92 97 90 96 156 12.6 1.512 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1016 Nonanal 16.7931 1108.7 8.7 scans 92% 57 m/z 0.065% 1.43% 2186 1.0 606 688558 53762148 49294727 4-4 20: 57 41 56 55 43 98 70 44 69 82 68 81 95 96 67 39 42 71 54 83 0.992 16.82 86.3 82 97 98 99 124 41.2 0.462 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9679 1116.1 9.0 scans 52% 71 m/z (82) 0.78% 0.0678% 2216 1.2 124 57302 2534822 2297144 1-4 11: 71 95 110 43 58 128 72 70 113 129 156 0.963 16.97 91.4 78 98 96 98 128 32.7 6.939 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0546 1119.8 8.7 scans 81% 91 m/z 0.087% 0.341% 2231 1.4 287 513401 12746441 11790027 3-4 20: 91 92 122 65 77 93 63 51 89 39 78 104 123 103 50 62 74 90 109 64 0.964 17.05 93.8 82 100 96 100 122 97.6 11.565 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0724 1162.7 10.1 scans 65% 355 m/z 0.62% 0.0770% 2403 1.5 133 72092 2875616 2708419 3-2 19: 355 73 267 356 357 269 268 253 74 339 323 170 324 270 154 249 265 162 359 0.853 18.13 -169.0 78 99 81 98 355 61.7 21.683 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6999 1189.3 8.4 scans 49% 69 m/z (113) 3.3% 0.0269% 2509 1.5 85 13389 1007690 978558 1-1 16: 69 55 82 43 107 125 110 98 126 41 70 95 39 67 80 96 0.919 18.71 138.5 73 98 90 97 153 3.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8233 1194.5 8.4 scans 53% 70 m/z 2.1% 0.0346% 2530 1.3 108 20752 1294169 1225297 1-2 17: 70 55 41 43 57 96 56 39 81 67 97 98 68 111 93 53 71 0.855 18.83 141.8 74 98 90 98 122 7.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.2471 1212.4 9.1 scans 5.2% 119 m/z (56) 4.5% 0.00606% 2602 1.2 38 9959 226536 203703 4-1 3: 119 134 120 0.683 13.76 12.9 72 80 65 79 134 15.7 16.727 5.490 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.5252 1224.1 >7 scans 47% TIC 1.4% 0.00840% 2649 0.9 81 30133 313699 299263 1-0 0.925 20.03 153.4 74 96 90 95 122 43.8 29.099 -0.504 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8008 1235.8 9.5 scans 50% 57 m/z 0.22% 0.214% 2696 1.1 225 197287 8018101 7235615 2-5 17: 57 45 75 87 56 89 100 72 101 59 44 58 60 62 132 61 131 0.837 19.81 168.3 77 100 94 99 144 6.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1004 ? Dodecane 20.3050 1257.1 17.2 scans 40% 43 m/z (127) 1.6% 0.0673% 2781 0.9 97 26830 2513561 2358639 0-1 13: 43 170 85 98 41 55 139 68 125 86 137 54 100 0.848 20.32 -0.6 77 84 81 87 170 11.4 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5323 1264.1 8.3 scans 92% 57 m/z (125) 0.13% 1.00% 2820 0.9 500 341856 37476543 33058134 5-7 20: 57 41 43 55 70 82 71 68 83 56 44 67 81 69 112 95 96 84 42 39 0.998 16.82 -27.3 69 71 86 74 124 0.0 0.000 3.717 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1034 ? Decanal 20.5323 1264.1 8.3 scans 91% 57 m/z 0.13% 0.928% 2820 0.9 496 345529 34676351 30588078 5-7 20: 57 41 43 55 70 82 71 68 83 56 44 67 81 69 112 95 96 84 42 39 0.989 20.57 -142.9 71 86 92 99 138 26.0 0.274 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1018 ?? Contamination 12.25min 20.6344 1267.1 7.7 scans 15% 281 m/z (125) 3.1% 0.0102% 2837 1.2 52 14227 381071 341638 2-2 12: 281 282 91 283 265 117 132 193 133 267 135 191 0.636 12.25 114.0 64 92 43 93 281 30.1 33.859 8.383 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9449 1276.5 >12 scans 50% 94 m/z (81) 0.46% 0.0666% 2889 1.4 115 96196 2488276 2214156 8-1 7: 94 138 77 139 98 51 45 0.962 20.98 191.5 74 96 92 97 152 4.1 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9963 1278.0 8.7 scans 79% 137 m/z (94) 0.51% 0.204% 2898 0.9 226 86602 7639494 7100744 2-2 15: 137 152 109 123 81 67 91 79 93 41 55 53 153 110 124 0.980 21.00 192.7 72 93 91 94 155 1.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8948 1335.0 8.5 scans 23% 109 m/z (71) 0.66% 0.0778% 3220 1.3 131 67171 2905647 2600314 4-4 4: 109 86 110 170 0.725 22.91 221.4 61 91 77 90 127 10.8 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.0825 1340.6 >16 scans 80% 60 m/z (81) 0.24% 0.449% 3252 0.2 269 184177 16789796 16025772 0-5 20: 60 73 115 57 41 129 55 43 101 56 69 98 87 61 45 42 70 83 74 96 0.977 22.70 -134.7 73 93 94 98 158 15.0 0.312 0.386 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.0825 1340.6 >16 scans 81% 60 m/z 0.25% 0.415% 3252 0.2 272 177334 15507045 14801393 0-5 20: 60 73 115 57 41 129 55 43 101 56 69 98 87 61 45 42 70 83 74 96 0.962 25.35 191.4 76 95 94 99 162 0.0 0.000 -2.272 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0872 1371.5 7.3 scans 59% 73 m/z 0.28% 0.145% 3422 1.1 212 157888 5449593 5020464 2-6 20: 73 341 429 342 325 147 343 430 431 326 74 344 207 327 82 432 251 45 193 311 0.866 24.17 -152.3 78 99 86 98 429 65.9 9.627 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5418 1386.7 7.5 scans 67% 71 m/z 0.46% 0.0879% 3499 1.2 172 96673 3285360 3068633 1-3 19: 71 57 85 43 41 84 70 113 55 127 99 56 155 169 42 112 72 126 141 0.894 24.54 249.4 78 100 90 98 169 20.2 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1006 ? Tridecane 24.5418 1386.7 7.5 scans 74% 71 m/z (89) 0.46% 0.112% 3499 1.2 181 96783 4218267 3939999 1-3 19: 71 57 85 43 41 84 70 113 55 127 99 56 155 169 42 112 72 126 141 0.975 23.86 22.7 78 80 93 82 184 0.0 0.000 0.680 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6764 1391.2 7.9 scans 54% 43 m/z 0.76% 0.0529% 3522 0.8 134 58643 0.0565% 1976741 1906063 2109533 1-4 20: 43 69 83 41 142 55 82 58 56 113 85 111 39 70 71 93 67 127 68 42 0.778 24.70 251.6 71 95 86 97 170 5.6 0.000 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.3919 1415.1 8.6 scans 79% 84 m/z (105) 0.13% 0.251% 3643 1.8 241 321768 9399739 8235223 2-4 20: 84 133 162 161 42 119 92 118 85 130 82 134 78 65 51 117 104 63 120 39 0.984 25.89 258.1 73 95 90 95 162 63.5 6.920 -0.500 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7803 1428.1 7.7 scans 70% 93 m/z 0.21% 0.195% 3709 0.9 244 207654 7284721 6494138 9-2 20: 93 121 136 43 91 79 77 194 94 81 41 71 123 95 107 108 137 59 57 122 0.914 25.78 272.8 77 98 88 98 194 37.4 2.362 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5094 1452.4 7.2 scans 22% 267 m/z (135) 3.3% 0.0116% 3832 1.6 58 13458 435074 374734 4-5 10: 267 355 357 251 283 282 356 191 193 358 0.695 18.09 410.8 65 94 75 97 355 25.7 19.967 8.417 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0914 1471.9 6.8 scans 41% 221 m/z 1.5% 0.0236% 3931 1.1 90 29149 883129 842608 1-2 20: 221 73 147 281 267 222 148 223 357 282 444 445 207 443 356 355 283 74 265 268 0.875 27.12 297.0 75 96 81 95 355 18.0 3.992 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 8.2 scans 75% 57 m/z (178) 0.36% 0.141% 3944 0.9 193 124485 0.220% 5275107 4885134 8214111 2-0 20: 57 71 85 43 41 56 112 55 99 70 84 42 113 98 127 72 69 141 126 83 0.978 27.21 -1.3 95 99 97 98 198 22.8 1.392 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1032 Myosmine 27.9356 1503.1 11.3 scans 91% 118 m/z 0.023% 2.38% 4074 0.7 699 1880040 88946871 83093197 3-3 20: 118 146 145 105 78 51 119 147 104 117 41 63 65 77 42 39 64 50 89 90 0.987 27.93 316.4 81 100 98 100 146 302.7 18.773 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6664 1530.6 8.2 scans 89% 43 m/z 0.038% 1.32% 4198 0.8 605 1163286 49593282 46093634 2-10 20: 43 69 41 151 136 107 125 67 93 109 83 121 53 81 39 68 79 108 55 91 0.986 28.67 333.2 80 99 98 99 194 39.6 0.429 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0903 1546.5 7.5 scans 68% 71 m/z 0.12% 0.376% 4269 1.1 354 348344 0.492% 14056009 13537886 18369740 1-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 97 69 183 140 42 127 72 0.856 29.10 342.6 73 96 89 94 227 7.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5183 1562.6 7.3 scans 47% 73 m/z 0.25% 0.186% 4342 1.0 241 178002 6978404 6346630 2-3 20: 73 281 147 327 415 282 283 341 503 221 328 399 504 329 505 417 74 383 148 342 0.918 29.61 -150.5 78 98 89 98 503 43.1 3.204 -0.096 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7574 1571.6 8.6 scans 69% 123 m/z (169) 0.064% 0.358% 4382 0.9 304 700252 13369869 12448683 1-6 19: 123 135 124 107 91 95 109 79 77 81 125 39 193 93 53 67 165 105 136 0.989 29.77 357.6 77 98 97 99 193 25.3 0.691 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 29.8034 1573.3 9.4 scans 65% 85 m/z (123) 0.32% 0.256% 4390 0.9 243 137914 9561501 8710616 2-1 16: 85 57 71 99 127 84 113 183 126 141 56 70 155 86 140 58 0.968 30.38 -21.6 78 82 93 84 212 5.0 0.000 -0.574 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9386 1578.4 8.9 scans 32% 71 m/z 0.10% 0.507% 4413 0.8 356 420845 18952818 17691220 1-2 19: 71 85 57 43 99 113 41 69 127 55 155 70 56 169 86 126 42 112 141 0.829 29.94 362.0 72 93 82 94 254 10.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5094 1600.5 8.0 scans 73% 191 m/z 0.047% 0.429% 4510 1.0 351 940200 16051927 15002785 2-2 16: 191 206 192 163 175 74 115 207 88 73 107 128 147 77 161 60 0.948 30.50 375.7 80 99 92 99 206 98.4 7.853 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8772 1615.9 9.4 scans 46% 162 m/z 0.49% 0.0987% 4572 1.1 164 91393 3685219 3393600 2-1 19: 162 147 161 91 119 134 105 77 163 115 131 165 148 103 51 145 189 81 133 0.795 30.88 -0.1 90 93 70 92 204 24.3 2.216 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1913 1629.1 9.7 scans 75% TIC 0.10% 0.532% 4625 0.8 377 426567 19876960 19216385 1-0 0.894 31.18 394.1 79 100 96 100 180 81.5 4.664 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5024 1642.2 9.5 scans 43% TIC 0.41% 0.0678% 4678 1.3 151 107381 2532116 2330962 1-2 0.663 31.52 -0.5 94 97 72 95 166 34.2 5.158 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7851 1654.1 8.9 scans 13% 193 m/z (57) 3.1% 0.0161% 4725 1.0 62 14401 601125 531330 1-7 8: 193 169 197 194 198 151 208 175 0.649 31.80 -0.4 63 69 35 86 208 11.0 3.138 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9162 1659.6 8.0 scans 53% 71 m/z (143) 0.95% 0.0986% 4748 0.6 155 47001 3683075 3395070 1-1 19: 71 83 57 82 85 43 55 70 41 69 99 113 72 111 56 127 210 67 155 0.952 31.92 -0.1 81 86 93 89 219 6.5 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0514 1665.3 6.7 scans 29% 221 m/z 0.78% 0.0398% 4771 1.0 118 57156 1489702 1439454 1-2 17: 221 73 147 222 295 207 341 355 267 148 223 281 342 296 325 356 74 0.763 32.08 -1.1 94 97 83 96 355 22.6 3.675 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2332 1672.9 8.7 scans 54% TIC 0.49% 0.0739% 4802 0.9 170 90122 2761510 2585692 1-0 0.859 32.24 -0.2 88 89 81 92 226 8.7 0.260 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6665 1691.1 8.5 scans 70% 205 m/z (126) 1.2% 0.168% 4875 1.0 210 35361 6285892 5993832 1-2 19: 205 91 119 93 159 43 105 107 79 147 162 187 131 77 146 133 145 149 135 0.972 32.67 -0.4 94 96 93 98 220 12.8 0.370 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9245 1702.0 7.8 scans 49% 71 m/z 0.10% 0.171% 4919 0.8 222 432701 6385485 5677607 4-6 10: 71 43 159 111 243 72 155 143 244 73 0.908 32.93 -0.3 94 97 94 96 243 38.2 2.965 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0839 1708.6 7.6 scans 38% TIC 2.0% 0.0253% 4946 1.1 116 22071 0.0305% 947117 862344 1138775 0-4 0.777 33.09 -0.1 92 98 79 95 224 7.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3064 1718.0 7.5 scans 70% 57 m/z (196) 0.29% 0.193% 4983 0.6 222 154782 7220050 6611153 3-8 17: 57 71 43 85 41 56 70 226 113 42 84 112 141 72 140 155 86 0.960 33.37 -2.8 94 98 95 98 226 26.2 0.000 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8908 1728.2 7.8 scans 37% 71 m/z 1.2% 0.0273% 5082 1.0 108 35004 1022596 1007963 1-1 19: 71 57 43 70 197 196 41 55 99 113 141 127 198 42 69 240 111 84 123 0.821 33.90 -0.1 87 91 82 89 197 22.9 4.485 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2669 1733.6 7.9 scans 34% 57 m/z (173) 1.2% 0.0376% 5146 1.1 102 37445 1407031 1312907 1-1 17: 57 71 85 43 210 211 98 41 99 182 55 127 183 56 113 212 169 0.895 34.27 -0.0 87 93 87 92 211 21.5 4.445 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3584 1734.9 8.8 scans 94% 355 m/z 0.012% 5.37% 5162 0.6 1190 3598453 200703554 186391778 2-3 20: 355 73 281 357 415 222 402 327 267 403 207 416 325 328 191 265 205 404 249 386 0.984 34.39 451.9 81 100 98 100 415 149.0 1.569 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7504 1740.5 10.6 scans 77% 91 m/z 0.060% 0.779% 5228 0.4 409 737698 29089105 27355061 2-3 19: 91 155 199 90 65 184 89 92 44 120 137 63 106 77 39 64 51 156 109 0.969 34.79 451.5 79 99 96 99 199 117.7 8.268 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9009 1742.7 8.3 scans 33% 68 m/z (71) 1.1% 0.0685% 5253 1.3 134 40237 2561218 2341502 3-3 1: 68 0.916 34.90 -0.0 91 94 96 98 224 18.2 1.846 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4912 1765.4 6.8 scans 28% 221 m/z 0.56% 0.0730% 5523 1.0 156 79235 2727376 2521975 2-4 18: 221 73 147 295 222 281 341 296 369 148 297 327 343 74 208 355 342 189 0.841 36.58 448.9 76 98 85 97 369 26.6 2.934 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2038 1775.6 8.4 scans 86% TIC 0.036% 1.06% 5644 0.9 550 1225859 39590988 37120508 3-1 0.965 37.20 449.3 80 99 97 100 224 172.4 9.828 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1016 Octadecane 37.2947 1776.9 9.3 scans 57% 71 m/z (133) 0.64% 0.137% 5659 1.5 174 69724 5123307 4595467 0-2 19: 71 85 57 43 99 113 41 84 70 127 69 155 141 126 58 56 111 211 112 0.961 38.91 -23.1 80 86 93 85 254 3.7 0.000 -1.615 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0539 1787.8 8.2 scans 66% 57 m/z (190) 0.49% 0.126% 5788 0.9 182 90857 4720540 4392993 2-2 20: 57 71 85 43 56 225 41 99 55 224 113 127 86 141 69 98 70 83 239 58 0.958 38.06 448.1 76 100 98 99 225 34.2 3.526 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5580 1795.0 9.3 scans 95% 73 m/z 0.013% 5.81% 5873 0.7 1200 3357183 217000244 205007553 2-3 20: 73 429 221 355 430 281 341 431 356 357 401 148 342 282 325 432 343 402 283 327 0.995 38.59 446.9 80 99 98 100 429 360.8 9.046 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8024 1798.5 11.1 scans 28% TIC 0.89% 0.0314% 5915 1.7 105 50470 1174573 1046595 1-1 0.499 36.21 -52.4 60 88 47 84 240 12.1 0.000 2.591 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4429 1866.1 7.8 scans 18% 74 m/z 1.8% 0.0148% 6023 1.0 67 23923 556027 517235 2-6 15: 74 87 213 185 143 60 73 256 88 129 257 101 75 59 211 0.495 39.45 504.6 69 97 52 92 256 12.9 3.733 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.7705 1906.7 8.1 scans 94% 68 m/z 0.056% 2.16% 6079 0.8 791 790878 80988143 77212973 2-1 20: 68 95 82 123 69 57 55 81 43 83 67 41 97 71 96 109 124 111 79 56 0.996 39.94 537.6 80 99 99 99 278 42.9 0.294 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8815 1920.4 7.7 scans 73% 58 m/z (183) 0.48% 0.192% 6098 1.1 228 93164 7169988 6457132 1-4 18: 58 43 71 59 85 55 109 110 95 69 41 124 83 250 81 56 123 96 0.976 39.88 552.1 76 99 98 99 250 23.3 1.042 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3030 1972.7 8.0 scans 56% 149 m/z (281) 0.17% 0.103% 6169 1.0 166 253276 3860114 3504244 3-3 10: 149 150 223 104 76 65 132 121 50 122 0.962 40.31 597.8 77 100 96 99 223 35.6 4.608 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5946 2008.9 7.1 scans 65% 221 m/z 0.50% 0.0907% 6218 1.1 171 89265 3389807 3223294 1-3 20: 221 73 147 295 281 207 222 369 296 223 297 148 282 283 208 355 341 74 327 401 0.907 40.63 628.8 75 97 92 99 369 29.6 2.990 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1254 ?? Phytol 40.8532 2040.9 14.1 scans 23% 183 m/z (83) 3.9% 0.0230% 6262 0.7 81 11464 0.0409% 860935 790447 1527078 1-0 16: 183 278 211 79 113 137 99 82 127 155 169 73 210 128 221 355 0.857 40.87 -1.8 68 74 61 76 278 11.5 1.986 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BQLD_R~1-N1056 ? Homosalate 40.9908 2058.0 7.8 scans 32% 138 m/z 1.2% 0.0304% 6285 1.0 106 35391 1138042 1073039 1-1 13: 138 120 109 121 69 124 139 92 95 65 82 91 122 0.782 41.00 672.2 76 99 79 98 262 15.5 2.125 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.0941 2070.8 9.5 scans 71% TIC 0.62% 0.234% 6303 1.0 250 71615 8743920 7949335 2-2 0.899 41.13 683.0 79 99 89 98 262 50.0 3.991 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2375 2088.6 8.0 scans 84% 79 m/z (192) 0.25% 0.379% 6327 1.0 322 173270 14173690 13344504 2-3 20: 79 67 93 95 80 91 55 108 41 121 81 77 94 107 135 87 59 78 105 122 0.979 41.26 -2.4 96 98 98 99 264 22.4 0.486 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4335 2112.9 8.1 scans 72% 205 m/z 0.42% 0.263% 6360 0.8 276 106234 9844538 9155692 3-2 19: 205 217 175 189 220 177 232 55 91 41 203 192 191 77 206 261 135 233 161 0.895 41.49 -83.7 83 99 88 99 276 19.7 0.505 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1018 ? Nonadecane 41.8273 2138.3 9.2 scans 33% 71 m/z (98) 2.1% 0.0375% 6427 0.6 85 20936 1402814 1257057 1-1 19: 71 57 85 41 84 113 125 127 43 155 99 69 253 114 56 141 143 252 140 0.865 41.48 19.3 70 84 85 81 268 2.6 0.000 0.344 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9990 2148.0 8.0 scans 89% 74 m/z 0.039% 1.19% 6456 0.9 589 1131725 44778477 41251091 2-3 20: 74 87 143 43 55 75 41 227 69 57 83 239 129 59 97 185 88 199 241 56 0.962 42.01 746.0 80 100 96 99 272 15.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3196 2166.0 8.6 scans 90% TIC 0.080% 0.719% 6510 1.1 444 557146 26859112 25291166 2-4 0.975 42.37 757.0 74 91 94 98 503 75.2 2.868 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.1384 2211.9 10.3 scans 33% 57 m/z (83) 2.7% 0.0309% 6649 1.1 79 16401 1156878 1072076 1-1 19: 57 55 85 253 56 43 41 252 225 254 91 69 169 154 124 128 121 44 113 0.589 42.99 8.3 63 71 22 67 272 12.5 0.000 0.148 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN N406_R~1-N1112 ? Phyllocladene 43.1543 2212.8 8.5 scans 11% 187 m/z (57) 7.5% 0.00844% 6652 0.6 43 5942 315182 277934 3-1 13: 187 272 161 134 119 160 252 159 189 59 162 120 188 0.497 43.24 -4.6 79 93 56 91 272 11.9 7.534 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8521 2252.0 8.8 scans 46% 57 m/z (205) 2.0% 0.0376% 6770 1.1 94 21695 1404337 1261068 1-2 20: 57 85 43 127 55 267 69 126 99 93 266 41 140 155 113 111 96 67 239 70 0.874 43.94 -4.7 61 67 81 84 282 4.2 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2883 2277.0 7.1 scans 63% 221 m/z (257) 1.0% 0.0468% 6844 0.9 121 44342 1747570 1610081 2-2 20: 221 73 147 295 281 207 369 222 296 279 223 341 355 148 208 283 282 370 74 265 0.896 44.32 829.7 74 95 94 99 369 22.8 3.561 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1567 2326.9 8.6 scans 72% 137 m/z (92) 1.6% 0.116% 6991 1.4 162 27344 4345207 3979276 2-3 16: 137 81 95 93 69 257 123 107 109 121 67 79 80 94 136 91 0.871 44.90 14.7 80 85 80 83 272 11.1 0.474 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7884 2363.3 7.9 scans 59% 73 m/z (85) 0.98% 0.0530% 7098 1.0 122 45667 1982132 1881741 1-2 20: 73 355 147 221 281 356 207 429 327 415 357 283 148 369 430 265 74 208 503 505 0.817 45.78 0.7 93 97 84 95 503 12.1 0.984 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1228 ?? C18:2-butanoate 46.0009 2375.5 8.7 scans 3.1% 266 m/z (145) 15% 0.00224% 7133 1.0 24 2995 83677 76263 1-0 5: 266 128 170 169 156 0.091 46.00 -0.1 65 88 11 78 294 6.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0965 2381.0 8.1 scans 82% TIC 0.31% 0.283% 7150 1.2 287 143613 0.387% 10578083 10139157 14449368 1-0 0.931 46.13 -2.2 96 98 93 98 292 21.7 0.574 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1022 Henicosane 46.1839 2386.1 8.1 scans 73% 57 m/z (124) 0.44% 0.131% 7165 0.9 183 101075 0.157% 4891180 4537657 5861888 0-8 16: 57 71 85 43 99 41 113 56 70 127 97 111 141 183 84 126 0.927 46.28 -5.6 95 98 89 97 296 16.6 0.817 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7571 2419.1 8.2 scans 59% 74 m/z (180) 1.3% 0.0350% 7262 1.0 98 33651 1307249 1224839 2-5 16: 74 87 143 75 298 55 267 41 199 241 101 255 88 256 59 97 0.876 46.76 924.0 74 98 88 97 298 18.5 3.589 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9301 2544.1 7.5 scans 62% 73 m/z (105) 2.3% 0.0211% 7630 1.1 76 19342 790853 755241 1-4 19: 73 429 147 221 281 355 430 207 222 223 327 74 148 295 356 283 415 296 342 0.826 48.95 993.7 71 98 86 98 429 21.6 8.016 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN HCMIX_~1-N1026 Tricosane 50.5878 2639.5 8.0 scans 54% 71 m/z 2.7% 0.0163% 7910 1.0 68 16605 611591 533312 4-7 16: 71 43 41 85 56 113 155 69 211 197 97 183 196 141 324 42 0.723 50.69 -5.7 83 89 65 83 324 6.4 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8517 2712.2 8.0 scans 45% 73 m/z 2.5% 0.0152% 8124 1.1 64 17823 569345 538192 4-5 17: 73 221 429 430 296 401 369 503 222 504 325 356 431 415 295 357 342 0.624 51.86 1081.3 73 97 62 94 503 11.3 3.085 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1037 771.1 5.7 scans 77% 77 m/z 0.074% 0.198% 37 3.4 247 577985 0.207% 6272414 5588519 6537125 0-6 12: 77 45 78 79 62 76 59 75 63 47 46 92 0.996 4.37 17.1 100 99 99 99 77 211.6 73.284 -0.267 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5926 835.9 17.1 scans 69% 207 m/z 0.56% 0.0722% 458 2.7 103 75626 2280512 2053787 2-2 20: 207 208 96 191 133 209 193 147 177 176 210 119 115 87 135 149 38 117 179 82 0.859 6.53 -140.9 79 100 89 99 207 76.5 55.443 0.065 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6935 864.6 8.6 scans 94% 55 m/z (108) 0.092% 1.35% 645 1.5 545 462280 42661544 37231230 2-5 20: 55 69 41 83 39 42 57 98 70 56 97 43 80 53 54 40 79 68 51 38 0.991 7.71 9.3 99 100 100 100 98 105.2 3.721 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 13.0342 1003.7 >12 scans 35% 281 m/z (115) 1.7% 0.0194% 1550 999.0 75 24664 0.110% 615140 550683 3473835 0-2 13: 281 179 267 207 191 193 177 208 112 283 87 189 235 0.534 12.22 57.4 76 90 42 94 281 43.7 34.058 0.814 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1022 ? Octanal 13.6151 1019.5 7.8 scans 76% 41 m/z (107) 1.3% 0.0987% 1648 1.3 164 30582 3117019 2829723 1-5 20: 41 84 57 56 43 44 55 69 42 68 82 85 81 67 39 100 110 72 71 86 0.965 12.96 -155.3 77 98 97 100 110 17.9 1.186 0.660 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.8861 1026.8 9.7 scans 76% 81 m/z 0.24% 0.154% 1694 1.8 185 177281 4877915 4508729 1-3 19: 81 110 53 39 79 41 67 68 65 82 77 66 51 55 52 54 50 40 109 0.908 13.22 63.2 85 97 92 98 110 51.5 7.791 0.664 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1016 Limonene 14.4906 1043.2 8.2 scans 85% TIC 0.41% 0.182% 1796 1.1 230 104212 0.220% 5748865 5157366 6947669 3-2 0.956 13.89 67.9 85 95 92 99 136 46.0 4.017 0.599 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6518 1047.6 9.7 scans 69% 79 m/z 0.62% 0.0957% 1823 1.6 152 68406 3025270 2684349 2-4 19: 79 108 107 77 51 91 78 50 80 65 63 109 74 105 62 90 76 86 38 0.937 14.11 68.6 88 100 92 99 108 69.7 21.150 0.543 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9800 1056.5 9.2 scans 60% 91 m/z 0.24% 0.115% 1879 1.5 167 177138 3653882 3278021 2-4 18: 91 92 120 65 63 89 39 51 62 121 50 93 64 38 74 66 75 52 0.962 14.44 71.7 87 99 96 99 120 55.2 10.979 0.538 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.6293 1074.1 11.4 scans 4.3% 94 m/z (105) 3.5% 0.0166% 1989 2.2 53 11938 526603 493262 1-2 4: 94 66 109 47 0.422 16.11 -196.1 66 94 76 95 109 29.6 30.694 -0.480 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6465 1074.5 20.8 scans 88% TIC 0.12% 0.339% 1992 1.2 270 344098 0.490% 10724588 10224709 15474355 2-0 0.960 15.17 77.1 85 98 96 98 123 93.9 12.120 0.476 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN 98-86-2 ? Acetophenone 15.7262 1076.7 >11 scans 55% 105 m/z 0.30% 0.113% 2006 1.5 169 139749 0.286% 3595338 3366238 9031970 0-2 19: 105 120 77 51 106 50 121 74 76 63 125 53 92 89 62 52 75 73 140 0.939 15.29 -169.0 79 99 93 99 120 57.3 11.539 0.433 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.7037 1104.9 9.2 scans 51% 95 m/z (105) 1.2% 0.0377% 2171 1.8 91 35106 1193280 1053561 3-2 9: 95 81 124 79 109 65 125 66 63 0.927 15.43 103.2 72 94 86 98 124 24.7 7.305 1.271 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.9570 1115.6 8.3 scans 30% 57 m/z 3.2% 0.0115% 2213 1.3 62 13134 365238 324332 2-1 11: 57 71 43 193 85 251 253 69 113 156 99 0.560 16.59 15.6 74 93 70 90 156 9.5 2.357 0.370 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1258 1122.8 8.3 scans 92% 57 m/z 0.084% 1.19% 2243 1.0 569 508641 37743506 35207485 4-6 20: 57 41 56 43 55 98 70 44 82 69 68 95 81 96 67 39 42 71 54 83 0.980 16.82 -168.6 79 98 97 98 124 36.7 0.000 0.311 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.3094 1130.5 >9 scans 61% TIC 0.88% 0.0422% 2274 1.0 134 48124 0.202% 1334413 1289956 6379224 1-0 0.899 16.97 105.8 77 98 89 99 128 31.5 5.580 0.341 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.3850 1133.7 8.9 scans 79% 91 m/z 0.12% 0.261% 2286 1.3 254 329692 8246048 7445170 6-4 19: 91 92 122 65 77 93 51 63 39 103 89 78 123 104 50 62 64 79 52 0.972 17.05 107.7 80 100 96 100 122 85.3 11.295 0.333 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3082 1172.7 9.5 scans 60% 73 m/z 0.74% 0.0614% 2443 1.5 123 57791 1939044 1815153 2-3 20: 73 355 267 356 268 357 249 179 193 359 358 59 74 170 163 251 237 207 165 270 0.855 18.13 -159.0 78 99 82 98 355 53.1 18.580 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN M4942-N1002 ?? Pyranone 18.4080 1176.9 10.2 scans 26% 144 m/z (135) 7.0% 0.00939% 2460 1.7 43 6089 296585 260729 2-3 5: 144 44 101 72 156 0.812 20.04 -213.6 63 91 72 89 144 21.5 25.013 -1.634 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9470 1199.7 8.3 scans 56% 111 m/z (102) 3.8% 0.0251% 2552 1.1 85 11198 793792 772161 1-0 8: 111 69 43 100 67 126 122 97 0.917 18.71 148.9 72 97 92 98 153 4.1 0.000 0.241 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0515 1204.1 8.4 scans 51% TIC 2.7% 0.0255% 2569 0.9 103 15396 805616 760036 1-1 0.820 18.83 151.4 73 99 90 98 122 7.6 0.000 0.221 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3242 1215.6 7.1 scans 18% 82 m/z (105) 6.1% 0.00409% 2615 0.9 36 7009 129228 112481 1-3 5: 82 81 39 54 43 0.865 19.12 158.5 67 96 77 93 97 5.6 0.000 0.203 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.6093 1227.7 19.2 scans 29% 122 m/z (133) 1.4% 0.0516% 2663 2.2 84 30118 1630120 1515642 1-1 9: 122 106 77 151 50 49 123 66 62 0.845 20.03 157.0 71 95 90 94 122 41.1 24.045 -0.420 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1024 ?? p-Cymene 19.9506 1242.1 10.8 scans 14% 119 m/z (99) 1.7% 0.0258% 2721 1.2 72 24160 815739 755554 2-3 4: 119 91 65 64 0.726 13.76 42.6 63 72 63 81 134 25.7 12.641 6.194 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1004 ?? Dodecane 20.4653 1262.1 13.6 scans 1.7% TIC 9.9% 0.00200% 2808 1.3 22 4287 63200 58215 1-2 0.041 20.32 4.4 66 89 2 81 170 7.0 0.000 0.145 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.0946 1280.9 12.8 scans 71% 94 m/z (137) 0.36% 0.112% 2915 1.1 154 115833 3564019 3185605 7-1 16: 94 138 77 66 65 95 50 78 45 63 139 76 59 64 38 74 0.971 20.98 195.9 76 97 93 99 152 3.6 0.000 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1501 1282.6 8.7 scans 63% 137 m/z (94) 0.67% 0.150% 2924 1.0 195 63432 4763219 4325220 3-2 13: 137 152 109 123 81 67 91 93 53 121 153 110 124 0.975 21.00 197.3 63 85 80 85 155 0.0 0.000 0.149 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.1595 1282.9 >13 scans 8.5% TIC 2.1% 0.0259% 2926 0.5 73 19631 0.0559% 820824 758862 1765340 2-0 0.131 32.87 22.6 60 64 17 62 206 0.0 0.000 -11.713 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1042 ? Phytol 21.3833 1289.6 14.7 scans 24% 69 m/z (135) 5.2% 0.0336% 2964 0.8 75 8228 1063674 955605 1-1 13: 69 41 265 55 111 138 86 123 84 94 207 249 64 0.721 35.35 -7.8 71 85 74 82 196 0.0 0.000 -13.964 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.1436 1312.4 9.4 scans 57% 138 m/z (98) 1.5% 0.0852% 3093 1.1 139 27765 2690780 2471389 5-2 14: 138 95 67 43 41 109 74 39 55 70 123 66 79 62 0.750 17.80 -9.0 61 67 64 75 128 2.4 0.000 4.349 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9943 1338.0 8.2 scans 12% 109 m/z (70 71) 0.92% 0.0540% 3237 1.1 115 46095 1708189 1445439 5-9 4: 109 86 110 170 0.799 22.91 224.4 61 92 70 90 127 15.1 1.708 0.081 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.2015 1344.2 >22 scans 81% 60 m/z 0.24% 0.645% 3272 0.1 298 176866 20374873 19258671 0-4 20: 60 73 57 55 41 129 115 43 69 87 39 98 42 74 61 45 70 101 84 83 0.967 25.35 195.0 77 96 94 99 162 0.0 0.000 -2.152 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1006 Tridecane 23.9052 1365.4 9.1 scans 39% 57 m/z (91) 1.7% 0.0382% 3391 1.2 92 24892 1208891 1081067 2-2 7: 57 71 85 70 56 84 154 0.770 23.86 1.4 80 90 83 89 184 11.6 1.602 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1413 1373.3 7.2 scans 54% 73 m/z 0.35% 0.106% 3431 1.0 186 121449 3361136 3182758 1-7 20: 73 341 429 342 147 325 343 430 431 74 207 327 344 75 251 191 45 193 432 328 0.904 24.17 -150.5 79 99 87 98 429 53.3 8.168 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.6029 1388.7 7.3 scans 66% 71 m/z (117) 0.96% 0.0674% 3509 1.2 142 44393 2129510 1960659 0-3 19: 71 57 85 43 70 41 127 55 84 99 113 56 155 169 154 126 42 112 141 0.969 24.54 251.4 74 96 95 99 169 14.4 1.022 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7488 1393.6 8.1 scans 72% 43 m/z (80) 0.68% 0.114% 3534 1.0 170 62298 3615744 3170272 1-4 20: 43 69 83 41 55 142 82 113 56 85 111 58 39 71 70 93 67 68 143 128 0.967 24.70 254.0 67 86 85 97 170 5.3 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2340 1409.8 7.8 scans 34% 43 m/z 0.66% 0.0280% 3616 0.8 90 64622 0.0408% 884687 765750 1288477 4-2 11: 43 145 103 116 85 115 86 127 44 73 61 0.840 25.24 -150.1 74 99 89 98 145 33.4 13.726 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.4695 1417.7 9.1 scans 85% 84 m/z (71) 0.099% 0.431% 3656 1.5 317 430501 13637611 12229905 2-4 20: 84 133 161 42 162 119 92 85 130 134 82 51 65 117 91 39 63 118 104 77 0.976 25.89 260.7 74 96 92 96 162 80.4 6.444 -0.422 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN GLAU_R~1-N1080 ?? Solanone 25.8285 1429.7 8.6 scans 29% TIC 1.2% 0.0221% 3717 0.9 102 34446 0.0308% 700629 657859 972674 0-1 0.503 25.78 274.4 66 93 68 94 194 16.7 2.667 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1113 1472.5 6.7 scans 22% 221 m/z (178) 3.5% 0.0113% 3934 1.1 62 11916 358504 325630 2-2 12: 221 73 147 281 222 355 223 267 283 282 191 269 0.834 27.12 297.6 70 94 76 93 355 11.0 3.160 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1998 1475.5 8.4 scans 71% 57 m/z (189) 0.50% 0.104% 3949 1.1 169 84263 0.173% 3302985 3040903 5463395 2-0 20: 57 71 85 43 41 56 55 99 198 70 113 83 42 84 112 98 69 127 86 39 0.984 27.21 -0.3 95 98 96 98 198 20.2 1.431 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1032 Myosmine 27.9885 1505.1 11.1 scans 88% 118 m/z 0.072% 0.856% 4083 1.1 430 588321 27043579 25979923 1-3 20: 118 146 145 105 78 51 58 119 147 104 91 117 65 42 63 41 39 64 77 50 0.985 27.93 318.4 80 99 98 99 146 184.4 18.411 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6922 1531.6 8.2 scans 90% TIC 0.039% 1.38% 4202 0.8 632 1085817 1.46% 43791972 40409925 46107261 4-1 0.978 28.67 334.2 80 99 97 99 194 40.7 0.416 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1089 1547.2 7.7 scans 65% 71 m/z (111) 0.19% 0.364% 4273 1.1 322 224911 0.526% 11509021 10409973 16611246 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 183 84 97 69 140 42 127 72 0.954 29.10 343.3 67 91 93 90 227 6.5 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5204 1562.7 7.7 scans 92% 73 m/z 0.020% 2.86% 4342 0.7 937 2039250 90567593 87150273 2-1 20: 73 281 147 327 341 415 283 148 328 399 74 329 207 342 504 417 149 343 75 383 0.989 29.61 -150.4 80 99 98 99 503 136.7 2.128 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7766 1572.3 7.8 scans 63% 123 m/z 0.062% 0.327% 4386 0.9 320 680681 10351973 9694541 1-7 16: 123 135 124 107 91 95 79 109 77 39 81 53 193 67 93 125 0.902 29.77 358.3 78 98 87 98 193 28.1 0.772 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9572 1579.1 10.8 scans 46% TIC 0.11% 0.403% 4416 0.9 321 370136 0.586% 12756376 12265137 18506065 1-0 0.592 29.94 362.7 75 97 59 97 254 10.4 0.106 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.3327 1593.2 9.5 scans 32% 57 m/z (211) 0.89% 0.0623% 4480 1.5 133 47880 0.120% 1968481 1968481 3789638 0-0 20: 57 71 43 85 41 55 56 72 42 180 99 179 58 213 98 151 126 155 83 97 0.936 30.38 -1.7 80 86 90 90 212 18.6 1.960 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5240 1601.1 8.1 scans 81% 191 m/z 0.039% 0.617% 4512 1.0 428 1090752 19514586 18700868 1-5 19: 191 206 192 57 163 74 175 115 91 107 73 207 88 147 77 128 161 133 117 0.971 30.50 376.3 80 99 96 99 206 115.1 7.228 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8965 1616.7 9.3 scans 67% 162 m/z (180) 0.33% 0.207% 4575 1.1 221 126730 6558526 5899423 2-2 20: 162 147 161 91 77 105 163 119 148 145 134 115 51 103 204 131 79 133 63 81 0.943 30.88 0.7 88 90 80 92 204 21.0 0.898 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2194 1630.3 9.5 scans 77% 111 m/z (85) 0.10% 0.693% 4630 0.7 402 398158 21895389 19819908 3-1 18: 111 109 137 67 180 110 124 152 95 81 79 77 39 112 165 65 53 138 0.992 31.18 395.3 76 97 96 99 180 86.9 4.676 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5104 1642.5 9.4 scans 54% 43 m/z (93) 0.74% 0.103% 4680 1.4 155 57492 3257790 2928678 2-1 19: 43 98 111 127 41 82 126 68 106 67 169 123 59 81 107 39 128 114 141 0.921 31.52 -0.2 88 93 90 93 166 25.1 2.629 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 7.9 scans 51% 71 m/z (87) 1.0% 0.101% 4749 0.7 158 41589 3191482 2905091 2-1 19: 71 57 83 85 43 82 55 41 113 69 155 99 70 111 112 126 56 125 67 0.890 31.92 0.1 79 84 88 87 219 2.8 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0517 1665.3 6.8 scans 24% 221 m/z 1.3% 0.0321% 4771 1.0 107 31856 1013981 917207 2-2 13: 221 73 147 222 295 207 355 341 223 183 269 192 325 0.654 32.08 -1.1 90 93 72 95 355 16.5 2.376 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2400 1673.2 8.6 scans 59% 57 m/z (147) 0.49% 0.155% 4803 1.5 186 87150 4909469 4433665 2-2 17: 57 71 43 85 41 183 99 56 55 113 182 70 42 149 69 141 97 0.862 32.24 0.1 87 94 87 95 226 8.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4425 1681.7 10.1 scans 36% 57 m/z (160) 0.66% 0.124% 4837 0.7 160 64004 3943799 3576359 3-2 17: 57 85 71 56 43 197 41 196 99 113 70 42 141 83 111 168 72 0.815 32.44 -0.0 78 87 81 86 226 6.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6822 1691.8 8.6 scans 68% 205 m/z (83) 1.5% 0.159% 4878 0.9 206 26829 5052271 4755624 2-2 20: 205 119 91 105 93 159 147 43 107 162 77 131 187 117 106 202 145 41 133 81 0.960 32.67 0.3 93 95 90 97 220 12.9 0.392 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8729 1699.8 7.5 scans 13% 70 m/z (149) 0.89% 0.0415% 4909 1.6 104 47675 1311435 1134302 3-3 2: 70 195 0.688 32.87 0.3 75 87 64 84 186 0.0 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 7.8 scans 56% 71 m/z (149) 0.13% 0.193% 4920 0.8 230 321836 6097920 5615400 3-3 12: 71 43 159 111 243 72 155 143 173 73 89 244 0.954 32.93 0.0 93 93 89 99 243 34.1 2.206 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0889 1708.9 7.5 scans 45% 83 m/z (100) 2.5% 0.0499% 4946 1.1 125 16809 1578032 1535888 1-0 20: 83 97 55 57 69 70 41 43 56 84 71 98 82 112 54 125 99 67 68 96 0.931 33.09 0.2 92 95 97 99 224 6.2 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3109 1718.2 7.5 scans 71% 57 m/z (96) 0.31% 0.184% 4984 0.6 228 135220 5838315 5592290 2-1 17: 57 71 43 85 41 99 55 56 226 113 70 42 84 98 112 155 141 0.971 33.37 -2.6 93 97 96 98 226 26.5 1.349 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8947 1728.3 7.4 scans 42% 71 m/z 1.1% 0.0398% 5083 1.0 126 37399 1259680 1125403 10-1 20: 71 43 57 85 70 197 55 41 99 168 196 56 113 69 127 141 84 181 42 167 0.799 33.90 -0.0 89 94 83 92 197 25.5 4.128 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2755 1733.7 7.4 scans 29% 57 m/z (109) 1.4% 0.0347% 5148 0.8 102 30244 1095896 1019837 1-1 17: 57 71 85 43 211 41 98 210 182 69 97 113 70 141 139 197 169 0.909 34.27 0.1 89 95 91 94 211 19.6 3.663 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3711 1735.1 9.8 scans 96% 73 m/z 0.012% 7.23% 5164 0.5 1338 3473193 228354752 218676523 2-2 20: 73 221 401 222 282 415 267 402 207 283 358 416 133 341 131 339 328 265 205 268 0.997 34.39 452.1 81 100 99 100 415 154.3 1.332 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8015 1741.2 13.3 scans 85% 91 m/z 0.043% 1.45% 5237 0.3 520 972784 45859019 42636730 1-2 20: 91 155 199 90 65 184 44 92 89 120 63 137 106 39 77 156 200 51 64 185 0.973 34.79 452.2 80 99 97 99 199 146.4 7.926 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9042 1742.7 7.9 scans 23% 68 m/z (123) 1.3% 0.0473% 5254 1.1 115 31251 1495611 1425000 1-4 1: 68 0.892 34.90 0.0 84 90 79 90 224 16.9 2.153 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1036 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2118 1775.7 8.4 scans 86% 209 m/z 0.030% 1.50% 5645 0.8 650 1383065 47480287 45520214 2-1 20: 209 224 181 165 167 210 178 105 166 179 103 225 91 194 77 152 115 193 97 119 0.965 37.20 449.4 80 99 97 99 224 200.8 9.540 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0548 1787.8 8.4 scans 65% 57 m/z (173) 0.53% 0.135% 5788 1.0 187 79723 4294219 3834285 1-2 19: 57 71 85 43 56 41 225 99 55 224 113 69 141 70 83 155 98 42 226 0.964 38.06 448.1 75 99 98 99 225 34.2 3.335 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5631 1795.0 9.5 scans 96% 73 m/z 0.012% 6.33% 5874 0.6 1266 3401057 199981531 189907354 2-2 20: 73 147 221 281 430 207 356 222 401 357 342 282 223 325 343 327 459 208 133 191 0.997 38.59 446.9 80 99 99 100 429 351.3 7.706 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1014 ?? Heptadecane 38.7974 1798.4 10.3 scans 25% 85 m/z (97) 1.2% 0.0459% 5914 1.5 100 34127 1451433 1294358 2-2 19: 85 127 239 211 126 240 83 113 58 169 238 84 141 155 167 72 183 68 210 0.451 36.21 -52.5 61 93 42 88 240 12.1 0.000 2.586 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8122 1798.6 11.6 scans 51% 57 m/z (127) 0.70% 0.103% 5916 1.0 146 60415 3260376 3092944 1-1 19: 57 71 85 41 69 99 113 84 155 97 169 98 183 70 154 40 68 100 197 0.942 38.91 -1.4 85 91 89 90 254 13.2 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4385 1865.5 7.8 scans 23% TIC 1.7% 0.0117% 6022 0.9 83 24566 369528 329532 1-1 0.559 39.45 504.0 70 98 61 94 256 14.2 2.892 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.7615 1905.6 7.4 scans 92% 68 m/z 0.11% 1.09% 6077 0.8 598 370736 34659374 33419627 2-1 20: 68 95 82 123 57 69 55 43 81 83 67 41 97 71 96 109 124 111 79 85 0.994 39.94 536.5 79 99 99 99 278 29.7 0.246 -0.175 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.8836 1920.7 7.7 scans 69% 43 m/z 0.42% 0.180% 6098 1.0 247 101363 5702967 5213969 1-4 20: 43 58 71 59 85 57 55 109 95 69 41 110 124 83 56 81 123 70 113 96 0.901 39.88 552.4 76 97 90 96 250 25.0 1.027 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3022 1972.6 8.3 scans 55% 149 m/z (169) 0.17% 0.112% 6169 1.0 175 240595 3551262 3284203 2-7 12: 149 150 223 104 76 167 205 132 65 50 121 148 0.968 40.31 597.7 77 99 96 99 223 37.5 4.590 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN N406_R~1-N1110 Phytol 40.3819 1982.5 7.8 scans 63% 81 m/z (237) 0.66% 0.188% 6182 1.3 228 64597 5958697 5469416 7-4 11: 81 82 95 123 79 67 124 96 109 110 53 0.976 40.66 -34.7 89 96 95 96 278 26.0 1.301 -0.280 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5879 2008.0 7.0 scans 47% 221 m/z (91) 1.1% 0.0420% 6217 1.1 117 36711 1326846 1249335 2-2 18: 221 73 147 295 207 281 222 223 369 282 148 325 208 355 401 74 356 370 0.878 40.63 627.9 73 99 91 99 369 17.6 2.278 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1254 Phytol 40.8382 2039.1 7.9 scans 56% 82 m/z (196) 1.6% 0.0812% 6260 1.0 152 26367 2566481 2421106 1-3 12: 82 95 123 67 96 79 109 110 137 80 93 355 0.912 40.87 -3.6 92 98 94 97 278 18.7 1.508 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BQLD_R~1-N1056 ? Homosalate 40.9858 2057.4 8.6 scans 19% 138 m/z 2.6% 0.0146% 6285 1.0 74 15912 461796 437099 1-1 16: 138 121 124 69 92 139 246 65 68 82 93 76 132 110 193 149 0.617 41.00 671.6 72 99 66 97 262 11.6 2.442 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.0956 2071.0 8.8 scans 53% 109 m/z (85) 1.5% 0.114% 6303 1.0 169 26782 3618621 3239440 1-2 18: 109 191 81 95 262 123 121 177 107 93 79 122 137 105 229 91 135 67 0.901 41.13 683.2 75 99 90 99 262 32.4 3.648 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2331 2088.0 8.1 scans 76% 79 m/z (168) 0.48% 0.237% 6327 1.0 257 88062 7509853 6945458 2-2 19: 79 67 93 95 80 91 108 55 121 41 81 77 94 107 87 59 135 105 122 0.968 41.26 -3.0 95 97 97 99 264 16.9 0.430 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1018 Nonadecane 41.3931 2107.9 11.5 scans 37% 71 m/z (96) 0.88% 0.0977% 6353 2.1 138 48361 3088182 2911791 2-1 18: 71 85 43 70 100 99 113 86 112 84 59 168 211 182 42 244 197 196 0.879 41.48 -11.1 88 97 87 94 268 12.8 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4339 2112.9 9.2 scans 65% TIC 0.43% 0.300% 6360 0.6 287 98511 9478688 8732437 4-2 0.814 41.49 -83.7 83 99 78 98 276 20.4 0.000 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9994 2148.0 8.0 scans 90% 74 m/z 0.039% 1.37% 6456 0.9 638 1078248 43342464 39744570 2-3 20: 74 87 43 143 55 75 41 227 270 69 57 129 83 59 239 97 101 185 88 171 0.977 42.01 746.0 80 100 98 99 272 15.0 0.055 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3099 2165.4 8.9 scans 90% 73 m/z 0.070% 0.856% 6509 1.0 473 605126 27053782 25736674 2-3 20: 73 147 281 221 355 207 429 282 341 503 148 222 74 283 356 415 504 357 267 149 0.977 42.37 756.4 76 94 96 100 503 63.9 1.823 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1020 ? Icosane 43.8448 2251.6 8.7 scans 54% 57 m/z (220) 1.6% 0.0532% 6769 1.3 116 26240 1682842 1523243 2-3 19: 57 71 85 43 127 41 267 55 99 126 113 69 70 84 56 197 83 97 86 0.931 43.94 -5.1 71 75 88 88 282 6.6 0.000 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1234 Thunbergol 45.1523 2326.7 8.8 scans 57% TIC 2.6% 0.0561% 6990 1.5 126 15961 0.0630% 1774653 1626999 1989560 3-0 0.753 44.90 14.5 80 83 66 81 272 9.8 0.000 0.251 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7775 2362.7 7.7 scans 64% 73 m/z (110) 0.78% 0.0675% 7096 1.1 139 54370 2133481 1933296 2-3 20: 73 147 355 281 356 221 207 357 282 341 295 148 429 74 327 223 328 283 415 325 0.874 45.78 0.1 93 96 86 95 503 9.7 0.487 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0945 2380.9 8.1 scans 78% 79 m/z (264) 0.39% 0.268% 7150 1.0 270 108835 8491431 7840689 2-1 20: 79 95 93 67 108 80 81 91 107 41 94 55 121 77 135 59 136 122 109 78 0.978 46.13 -2.3 94 97 95 98 292 19.6 0.528 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1022 Henicosane 46.1907 2386.4 7.9 scans 91% 57 m/z (184) 0.072% 0.994% 7166 0.9 519 591178 31410822 27245826 10-4 20: 57 71 85 43 41 99 55 69 56 113 70 83 127 97 84 141 98 42 112 126 0.987 46.28 -5.3 98 99 99 99 296 42.2 0.663 -0.091 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7527 2418.8 8.0 scans 60% 74 m/z (65) 1.2% 0.0438% 7261 1.2 110 34789 1384197 1271808 3-3 15: 74 87 75 143 298 255 55 88 83 129 267 97 101 241 269 0.908 46.76 923.7 75 98 90 97 298 20.8 3.553 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1024 ? Docosane 48.4275 2515.2 8.7 scans 45% 57 m/z (148) 5.1% 0.0134% 7545 1.4 54 8293 425813 381737 4-1 15: 57 71 85 43 155 55 99 41 95 113 141 56 58 42 98 0.740 48.53 -5.8 71 85 73 80 310 4.7 0.000 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9175 2543.4 7.8 scans 57% 73 m/z 1.9% 0.0207% 7628 1.3 79 21555 655227 609408 2-5 20: 73 147 221 355 429 281 356 282 431 341 207 148 74 295 297 430 369 191 432 358 0.753 48.95 993.0 74 99 75 97 429 20.9 7.069 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN HCMIX_~1-N1026 Tricosane 50.5769 2638.9 8.1 scans 87% 57 m/z 0.38% 0.169% 7909 1.2 222 111865 5349982 4967968 2-4 20: 57 71 85 43 41 55 99 113 69 70 83 56 97 127 84 98 111 42 155 126 0.945 50.69 -6.3 97 98 92 96 324 15.8 0.506 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8343 2711.2 8.1 scans 51% 73 m/z 2.0% 0.0196% 8122 1.3 74 21292 621891 578218 2-4 20: 73 147 221 355 281 429 356 325 207 357 369 297 282 283 295 503 430 343 149 75 0.659 51.86 1080.3 72 95 64 92 503 10.5 2.012 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N506_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6254 2871.8 10.1 scans 54% 327 m/z (56) 3.5% 0.0168% 8593 0.4 69 12050 0.0226% 530651 514329 713715 1-0 9: 327 357 283 356 282 369 265 149 296 0.825 45.81 1395.3 69 95 84 94 503 7.0 1.040 8.813 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1063 771.2 13.9 scans 68% 77 m/z 0.16% 0.0748% 37 3.8 174 295454 5429623 5090852 1-2 12: 77 78 45 79 59 76 62 63 47 75 46 64 0.978 4.37 17.2 100 100 96 99 77 150.9 75.416 -0.265 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 6.0555 821.9 >9 scans 25% 87 m/z (69) 4.0% 0.00330% 368 0.0 41 11796 0.00836% 239669 215979 606343 1-0 3: 87 102 86 0.823 6.03 -139.7 62 86 78 86 102 8.1 3.888 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5042 833.6 >22 scans 69% 193 m/z 0.52% 0.0350% 444 2.2 109 91334 2541865 2424692 1-0 13: 193 192 103 161 211 115 134 89 178 149 135 189 179 0.821 6.53 -143.2 80 100 83 99 207 83.9 59.727 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6270 862.8 8.6 scans 95% TIC 0.26% 0.223% 634 2.2 341 181604 16203530 15295382 1-3 0.998 7.71 7.5 100 100 100 100 98 66.3 3.784 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.4110 987.4 >5 scans 27% 207 m/z 2.5% 0.00321% 1444 7.1 58 18647 233439 221501 0-2 10: 207 283 282 191 65 265 266 193 179 177 0.758 12.22 41.1 84 90 76 91 281 37.9 43.481 0.191 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6548 993.7 10.7 scans 43% 81 m/z 1.0% 0.0145% 1486 2.5 82 47721 1057847 977070 6-1 14: 81 110 53 79 41 67 68 77 51 66 82 63 80 109 0.685 13.22 30.1 91 96 64 95 110 29.3 12.886 -0.567 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1022 ? Octanal 12.9158 1000.5 >10 scans 66% TIC 2.8% 0.0197% 1529 0.9 116 16820 1429521 1278955 1-1 0.897 12.96 -174.3 73 95 91 97 110 13.8 1.418 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1016 Limonene 13.8880 1026.9 8.4 scans 60% 68 m/z 1.7% 0.0184% 1694 1.3 106 27059 1339179 1214503 4-4 17: 68 93 67 121 94 79 92 136 107 53 91 41 39 80 81 65 105 0.830 13.89 51.6 89 98 83 97 136 21.7 4.163 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1885 1035.0 20.1 scans 92% TIC 0.014% 4.15% 1745 0.4 1111 3324863 301055654 277365233 0-5 0.995 14.11 56.0 92 100 100 100 108 491.9 19.594 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4630 1042.5 9.9 scans 87% 91 m/z 0.051% 0.315% 1792 1.7 383 930547 22915944 20497817 2-4 19: 91 92 120 65 63 39 89 51 62 50 121 90 64 66 74 38 61 52 75 0.979 14.44 57.7 91 100 99 100 120 124.0 10.479 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0085 1057.2 7.8 scans 26% 57 m/z (82) 9.6% 0.00396% 1884 1.1 49 4964 287199 235231 9-3 12: 57 70 83 55 41 53 69 68 67 93 39 73 0.814 18.83 4.5 71 73 75 79 122 1.9 0.000 -3.822 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1732 1061.7 11.6 scans 89% TIC 0.11% 0.182% 1912 1.3 306 427240 0.278% 13216090 12267054 20163097 3-0 0.983 15.17 64.3 90 100 99 100 123 107.5 12.390 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN 98-86-2 ? Acetophenone 15.2635 1064.1 >11 scans 71% 105 m/z 0.20% 0.0976% 1927 1.5 228 238443 7083794 6156514 1-4 19: 105 77 120 51 43 106 50 78 121 74 76 57 63 39 65 53 52 75 37 0.972 15.29 -181.6 79 99 96 99 120 76.1 11.180 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4282 1068.6 9.2 scans 37% 95 m/z (108) 1.9% 0.0113% 1955 1.2 83 24111 823791 739918 1-1 13: 95 81 124 109 65 43 53 96 66 54 80 82 59 0.735 15.43 66.9 81 95 90 97 124 24.3 8.619 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1002 Undecane 16.5977 1100.5 8.5 scans 50% 57 m/z (134) 2.0% 0.0136% 2153 1.3 88 23272 988860 884054 1-1 10: 57 43 71 70 156 69 98 113 112 127 0.893 16.59 0.5 93 98 90 97 156 10.9 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1016 Nonanal 16.7765 1108.0 9.4 scans 83% 57 m/z 0.26% 0.202% 2183 1.5 326 178415 14720346 13067084 6-3 20: 57 41 56 55 43 98 44 70 82 69 68 95 96 81 67 39 42 54 71 83 0.972 16.82 85.6 82 98 96 98 124 19.3 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9589 1115.7 9.0 scans 50% 71 m/z (126) 1.2% 0.0210% 2214 1.4 108 37724 1524613 1423440 1-1 13: 71 95 110 58 128 43 113 84 72 69 70 111 59 0.959 16.97 91.0 75 95 90 97 128 27.9 6.640 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.1083 1122.0 15.5 scans 89% 91 m/z 0.011% 2.30% 2240 0.5 918 4243422 167533714 158734481 1-4 20: 91 92 122 65 51 77 63 93 39 78 89 103 123 104 50 66 74 79 38 41 0.951 17.05 96.0 81 99 93 100 122 315.9 11.853 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0664 1162.5 8.1 scans 77% 73 m/z 0.28% 0.0761% 2402 1.5 216 170056 5520490 5043167 2-2 20: 73 355 267 356 268 357 251 74 193 339 249 358 191 75 59 163 154 162 45 223 0.922 18.13 -169.2 80 99 90 99 355 89.7 17.279 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN M4942-N1002 ?? Pyranone 18.3326 1173.7 10.8 scans 25% 101 m/z (94) 4.8% 0.00597% 2447 0.8 55 9868 433108 419058 1-1 10: 101 43 72 144 145 45 59 191 103 126 0.802 20.04 -216.8 68 95 81 94 144 24.8 20.403 -1.709 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1018 ?? Pyranone 18.3326 1173.7 10.8 scans 26% 101 m/z (282) 5.0% 0.00623% 2447 0.8 56 9521 452303 437631 1-1 10: 101 43 72 144 145 45 59 191 103 126 0.767 18.22 130.2 69 97 84 96 144 26.0 21.441 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7028 1189.4 8.4 scans 44% 98 m/z (94) 4.6% 0.0124% 2510 0.9 88 10420 903471 846080 1-1 18: 98 55 69 41 111 82 43 126 93 79 125 80 70 95 97 83 39 81 0.918 18.71 138.6 69 94 86 95 153 4.8 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1266 ?? Octanoic acid 19.2772 1213.6 13.1 scans 59% 56 m/z (59) 2.0% 0.0488% 2607 2.0 132 24057 3542306 3176872 6-1 8: 56 55 70 83 84 98 93 42 0.916 22.03 -95.5 65 85 86 90 175 0.0 0.000 -2.757 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7618 1234.1 11.0 scans 45% 119 m/z (57) 0.37% 0.0569% 2689 1.0 164 128445 4132824 3887955 3-3 10: 119 91 134 65 92 51 50 120 64 38 0.926 13.76 34.6 75 82 72 83 134 56.8 11.969 6.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7973 1235.6 9.2 scans 75% 57 m/z 0.16% 0.162% 2695 1.4 304 294880 11799719 10788084 4-4 20: 57 45 41 75 87 56 89 72 101 100 59 43 85 73 60 71 44 58 55 61 0.946 19.81 168.1 78 97 96 99 144 6.3 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3091 1257.2 8.5 scans 32% 57 m/z (122) 3.3% 0.00727% 2782 1.6 64 14244 527627 472422 3-4 8: 57 71 126 70 170 98 99 113 0.916 20.32 -0.5 91 97 88 95 170 9.1 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1034 ? Decanal 20.5245 1263.8 8.5 scans 82% TIC 0.58% 0.0910% 2818 0.9 248 82592 0.0973% 6607083 6400849 7057084 0-1 0.980 20.57 -143.2 78 98 98 98 138 13.2 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 20.8374 1273.2 >19 scans 29% 105 m/z (122) 2.9% 0.0129% 2872 0.7 63 16552 941731 896500 2-0 9: 105 77 74 50 75 106 103 63 72 0.719 20.03 202.5 70 94 89 94 122 28.8 21.082 0.808 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9903 1277.8 9.0 scans 45% TIC 0.50% 0.0710% 2897 1.1 216 95914 5154531 4741907 2-2 0.534 21.00 192.5 74 96 66 93 155 0.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4584 1291.9 7.3 scans 10% 147 m/z (94 164) 5.3% 0.00299% 2976 0.8 44 9003 217096 191363 3-4 9: 147 73 369 282 148 209 249 266 370 0.391 21.56 -146.8 64 98 50 94 369 12.3 7.817 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1030 ?? Contamination 21.50min 21.4584 1291.9 7.3 scans 11% 147 m/z (164) 5.0% 0.00305% 2976 0.8 45 9504 221365 195126 3-4 9: 147 73 369 282 148 209 249 266 370 0.350 21.50 199.1 66 99 54 93 369 13.0 8.531 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0057 1308.3 8.3 scans 19% 175 m/z (138) 1.8% 0.00482% 3069 1.3 55 25879 349641 341938 1-3 4: 175 190 176 191 0.789 22.01 207.9 63 91 68 90 190 18.1 10.809 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8935 1334.9 9.5 scans 67% 43 m/z (57) 0.58% 0.0578% 3220 1.3 169 82845 4197851 3768531 2-3 12: 43 69 109 86 110 41 127 67 95 58 100 87 0.948 22.91 221.3 74 97 94 97 127 21.7 1.645 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.7164 1359.6 14.8 scans 76% 60 m/z 0.16% 0.331% 3359 0.2 368 286184 24009160 22098051 1-4 20: 60 73 57 115 55 41 129 43 69 98 87 61 56 45 42 39 83 74 101 70 0.946 22.70 -115.7 77 96 94 99 158 23.9 0.421 1.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.8363 1363.2 9.7 scans 32% 57 m/z (99) 3.1% 0.0150% 3379 1.1 84 15325 1092092 932960 2-6 12: 57 71 85 70 41 69 56 84 44 128 58 157 0.771 23.86 -0.8 79 87 85 85 184 8.3 0.976 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.0954 1371.8 7.3 scans 83% 73 m/z 0.099% 0.197% 3423 0.9 380 482143 14326185 13509087 2-2 20: 73 341 429 342 325 147 343 430 326 74 207 431 327 344 75 45 148 432 191 267 0.950 24.17 -152.0 80 100 94 99 429 108.5 8.139 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7737 1394.5 11.8 scans 58% 43 m/z (71) 1.3% 0.0342% 3538 0.7 124 36950 2481087 2287450 2-2 18: 43 83 55 41 82 58 85 56 57 111 39 93 67 68 145 100 84 113 0.933 24.70 254.9 70 91 92 97 170 4.5 0.000 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.8971 1398.6 >21 scans 22% 42 m/z (77) 8.0% 0.00686% 3559 1.8 50 5974 498154 457767 2-1 12: 42 99 57 127 111 177 129 84 70 119 113 83 0.588 20.36 -1.6 65 83 74 83 170 0.0 0.000 4.539 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2230 1409.5 7.6 scans 40% 43 m/z 0.59% 0.0145% 3614 1.1 103 81118 1056532 974065 4-1 11: 43 103 145 116 84 115 86 126 146 74 61 0.811 25.24 -150.4 77 99 91 99 145 36.7 12.687 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.5235 1419.5 >23 scans 92% TIC 0.0067% 9.62% 3665 0.2 1669 7108007 10.8% 697859211 697859211 783314545 0-0 0.998 25.89 262.5 79 98 98 99 162 489.2 8.595 -0.369 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0229 1436.2 8.4 scans 7.9% 145 m/z (162) 5.1% 0.00288% 3750 0.8 43 9309 209548 200649 1-2 7: 145 160 168 153 115 116 146 0.784 27.08 -186.6 60 85 61 89 160 18.0 17.674 -1.054 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1091 1472.5 >7 scans 64% TIC 0.85% 0.0141% 3934 0.9 142 55987 1023146 995480 1-0 0.937 27.12 297.6 78 98 93 98 355 24.8 3.064 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 7.5 scans 77% 57 m/z (163) 0.37% 0.0697% 3944 1.1 215 129075 0.0900% 5057117 4651592 6527621 2-0 20: 57 71 43 85 41 55 56 70 99 42 84 98 113 69 112 127 198 83 39 126 0.990 27.21 -1.3 96 97 97 98 198 23.9 1.244 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N407_R~1-N1114 ?? Caryophyllene 27.8370 1499.4 8.9 scans 65% 91 m/z (136 84) 2.3% 0.0622% 4057 1.3 184 20604 4514610 4167027 2-2 20: 91 41 71 79 57 69 133 43 107 55 105 70 135 81 77 106 120 67 85 117 0.952 27.84 314.0 65 89 88 96 204 11.2 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9751 1504.6 >18 scans 53% TIC 0.75% 0.0371% 4080 2.2 138 64071 2693756 2470060 1-1 0.857 27.93 317.9 70 91 83 95 146 60.0 18.945 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3812 1519.9 8.5 scans 77% 80 m/z 0.14% 0.105% 4149 1.1 259 337464 0.107% 7636850 7065727 7760616 5-2 19: 80 171 104 53 78 170 172 91 77 51 81 65 103 39 105 79 63 52 168 0.949 28.39 326.5 78 98 92 98 171 112.4 18.896 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1018 ?? Geranyl-linalool/geraniol 28.5164 1525.0 7.2 scans 2.6% 153 m/z (88) 8.9% 0.00256% 4172 3.6 40 5378 185882 119170 3-0 1: 153 0.028 46.29 39.1 62 80 7 73 272 0.0 0.000 -17.773 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N419_R~1-N1168 ? UNK Hydrocarbon ring structure 28.5477 1526.1 8.7 scans 86% TIC 0.37% 0.202% 4177 0.9 363 128489 14684026 13749247 2-1 0.970 45.98 46.4 71 77 75 77 204 60.5 2.782 -17.427 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6563 1530.2 7.9 scans 75% 43 m/z (166) 0.16% 0.164% 4196 1.2 317 300604 11931136 10751357 1-4 17: 43 69 41 151 107 136 67 125 93 109 53 121 68 39 81 108 161 0.977 28.67 332.8 76 98 98 99 194 18.8 0.350 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0926 1546.6 7.5 scans 78% 71 m/z (180) 0.20% 0.157% 4270 1.0 332 229539 11388865 11032386 1-0 20: 71 57 43 85 41 70 55 56 141 113 99 112 84 177 69 183 97 42 220 72 0.964 29.10 342.7 69 92 94 93 227 0.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5235 1562.8 8.7 scans 65% TIC 0.10% 0.255% 4343 0.9 399 440578 18501276 16890736 3-0 0.901 29.61 -150.3 79 99 95 99 503 62.1 2.423 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1022 ? Nicotyrine 29.6487 1567.5 10.6 scans 59% 158 m/z 0.024% 0.899% 4364 0.7 683 1987355 65249745 61742454 2-3 20: 158 157 130 159 116 117 89 156 63 90 105 78 104 51 42 142 103 62 80 50 0.837 29.68 354.9 79 99 86 98 158 391.4 32.872 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7579 1571.6 >8 scans 67% TIC 0.073% 0.0860% 4382 1.0 315 657516 6244183 5920836 1-0 0.975 29.77 357.6 76 96 93 95 193 25.8 0.671 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N407_R~1-N1118 UNK Hydrocarbon double ring structure 29.8541 1575.2 8.6 scans 89% 105 m/z 0.027% 1.24% 4399 0.8 888 1743681 90454782 85101260 8-2 20: 105 91 93 107 121 79 119 94 77 106 204 80 95 147 41 81 189 55 148 124 0.989 29.85 360.1 80 99 98 99 204 132.7 2.235 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1040 ?? UNK Hydrocarbon 29.94min 29.9350 1578.3 8.8 scans 27% 71 m/z (194) 0.46% 0.0513% 4412 0.9 160 104277 3724159 3542055 1-1 12: 71 85 57 99 113 127 84 155 70 169 197 114 0.705 29.94 361.9 67 94 62 91 254 5.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3217 1592.8 7.8 scans 37% 57 m/z (153) 0.80% 0.0280% 4478 0.9 132 60099 0.0350% 2037815 1945340 2538519 0-1 16: 57 71 85 41 70 56 212 99 112 140 42 86 113 179 154 72 0.896 30.38 -2.1 85 93 88 93 212 16.8 1.617 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4958 1599.9 8.2 scans 79% 191 m/z 0.040% 0.303% 4507 0.9 447 1191145 21991479 20290663 2-6 20: 191 206 192 57 74 163 175 41 115 91 73 107 88 207 77 128 147 161 133 117 0.944 30.50 375.1 80 99 93 99 206 120.9 7.302 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8305 1614.0 8.5 scans 81% 124 m/z 0.077% 0.361% 4564 0.8 478 623553 26253532 24710387 2-4 20: 124 137 55 180 125 81 54 138 82 109 96 39 53 41 123 83 95 165 110 67 0.955 30.81 384.6 79 98 95 99 180 118.3 6.121 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8648 1615.4 8.9 scans 17% 162 m/z (124) 1.1% 0.0307% 4570 1.0 128 42539 2231118 1981089 4-4 4: 162 147 118 197 0.644 30.88 -0.6 85 94 60 92 204 22.7 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9285 1618.1 8.7 scans 13% 171 m/z (182) 2.4% 0.00612% 4581 1.5 59 19606 444087 412353 1-5 4: 171 172 156 173 0.904 30.93 0.1 89 94 79 94 171 38.9 43.925 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2013 1629.5 9.9 scans 78% TIC 0.085% 0.400% 4627 1.0 465 561888 29071685 26580868 2-3 0.916 31.18 394.5 77 98 94 98 180 99.4 4.565 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5153 1642.7 9.0 scans 71% 43 m/z 0.22% 0.0991% 4680 1.0 252 209779 7192724 6794995 1-2 20: 43 98 111 166 55 127 82 151 68 41 83 123 67 69 85 107 81 39 58 59 0.896 31.52 0.0 96 98 91 97 166 52.0 4.251 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6269 1647.4 7.6 scans 31% 71 m/z (342) 2.2% 0.0154% 4699 1.3 105 21726 1121246 1119741 0-1 18: 71 57 85 43 127 99 114 401 55 41 113 112 169 70 183 126 56 89 0.741 31.63 -0.3 67 96 78 85 429 8.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7863 1654.1 8.5 scans 5.9% 193 m/z (85) 2.6% 0.00579% 4726 1.0 59 18509 420311 399341 2-2 5: 193 175 194 197 198 0.263 31.80 -0.4 70 87 40 91 208 12.9 4.749 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0803 1666.5 6.6 scans 44% 221 m/z 0.85% 0.0219% 4776 1.0 133 56286 1592277 1405759 3-11 20: 221 73 147 207 222 295 341 355 223 281 325 297 296 148 342 356 74 343 208 357 0.883 32.08 0.1 97 98 84 97 355 23.2 3.047 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2343 1672.9 8.4 scans 46% 57 m/z (59) 0.72% 0.0554% 4802 1.2 170 66271 4021242 3453832 4-4 15: 57 81 43 71 85 41 93 56 99 183 70 113 105 182 42 0.691 32.24 -0.2 70 85 79 90 226 7.1 0.174 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4374 1681.5 8.3 scans 54% 57 m/z (164) 0.80% 0.0446% 4836 1.1 159 59962 3237727 2831336 4-3 17: 57 71 85 56 43 197 41 55 99 141 113 70 196 83 39 198 111 0.946 32.44 -0.2 83 87 89 87 226 6.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6694 1691.2 8.9 scans 62% 205 m/z (81) 1.5% 0.0840% 4875 0.9 214 30702 6092990 5394602 2-6 13: 205 119 105 159 147 162 131 202 187 145 146 106 134 0.972 32.67 -0.3 93 96 92 97 220 12.2 0.327 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8654 1699.5 7.8 scans 31% 70 m/z (149 59) 1.1% 0.0306% 4909 1.2 131 41309 2220734 1900005 4-2 4: 70 187 132 222 0.841 32.87 -0.0 66 75 75 84 186 4.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9303 1702.2 7.7 scans 53% 71 m/z 0.14% 0.0629% 4920 0.8 208 329645 4565069 4055053 4-7 12: 71 43 159 111 56 173 243 72 155 143 89 73 0.872 32.93 -0.1 95 98 93 96 243 31.9 2.345 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1212 ? Hexadecene 33.0815 1708.5 7.4 scans 24% 83 m/z 3.7% 0.00699% 4946 1.1 93 12672 507183 468744 1-1 19: 83 97 55 69 70 179 57 41 56 43 151 71 85 42 98 67 82 54 110 0.741 33.09 -0.2 79 85 71 89 224 6.2 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3070 1718.0 7.6 scans 60% 57 m/z 0.22% 0.0845% 4983 0.9 244 210646 0.0906% 6134872 5539537 6571139 3-0 18: 57 71 85 43 41 55 99 56 70 113 84 42 226 98 112 140 155 72 0.794 33.37 -2.8 93 95 73 93 226 29.6 1.474 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2704 1733.6 7.8 scans 16% 57 m/z (173) 1.6% 0.0130% 5147 1.1 91 29655 948370 841875 0-2 13: 57 71 85 211 98 218 183 216 182 127 58 141 196 0.860 34.27 0.0 77 84 73 90 211 18.0 3.910 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3926 1735.4 7.6 scans 91% 73 m/z 0.032% 0.868% 5167 0.9 773 1471983 62979024 60002912 2-2 20: 73 355 147 221 281 401 282 415 327 207 283 385 416 133 191 45 131 417 339 268 0.982 34.39 452.4 81 100 98 100 415 87.2 1.271 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8235 1741.5 15.9 scans 89% 91 m/z 0.023% 1.44% 5241 0.3 735 2006928 104964072 103190947 0-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 39 77 64 156 51 134 78 0.981 34.79 452.5 80 99 97 99 199 203.9 7.693 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1218 ?? Cyclopentane, undecyl- 34.8991 1742.6 10.7 scans 13% TIC 2.0% 0.00751% 5253 1.7 98 23016 545171 506996 0-1 0.352 34.90 -0.1 69 90 44 87 224 17.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6937 1754.0 9.2 scans 35% 123 m/z (113) 1.3% 0.0382% 5388 1.3 148 36014 2771201 2689215 1-1 19: 123 193 195 209 121 181 152 79 165 151 210 224 131 124 133 166 167 175 146 0.762 35.70 451.3 64 90 72 90 224 14.7 0.992 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9333 1757.4 9.3 scans 58% 91 m/z (85) 0.24% 0.116% 5429 1.0 251 193372 8450170 7647359 3-5 15: 91 155 184 65 44 92 199 89 63 39 148 156 220 111 185 0.906 35.94 451.0 60 85 72 83 238 5.6 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1949 1775.5 8.4 scans 26% 209 m/z (71) 1.3% 0.0166% 5643 0.9 102 34946 1209718 1138327 1-2 13: 209 224 210 165 182 167 103 166 178 225 189 152 180 0.829 37.20 449.2 71 95 84 98 224 31.4 9.398 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3023 1777.0 8.6 scans 37% 71 m/z (140) 1.4% 0.0289% 5660 1.1 130 33782 0.0343% 2102324 1857730 2487749 2-1 19: 71 85 57 43 99 113 127 56 70 41 69 169 55 141 125 211 100 183 68 0.941 38.91 -23.0 78 85 90 84 254 2.1 0.000 -1.608 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1108 ?? Solavetivone 37.3944 1778.3 8.7 scans 60% TIC 1.4% 0.0617% 5676 1.2 228 32553 4477185 4263709 0-1 0.863 38.84 426.3 67 89 76 88 272 0.0 0.000 -1.449 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0591 1787.8 8.1 scans 53% 57 m/z (168) 0.70% 0.0448% 5788 1.1 169 68197 3252052 3098587 1-1 19: 57 71 85 43 56 41 99 225 55 113 224 70 127 83 169 97 141 98 72 0.924 38.06 448.1 74 99 96 99 225 28.9 2.922 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5804 1795.3 9.2 scans 94% 73 m/z 0.016% 2.29% 5877 1.0 1144 2876606 166302114 155180415 2-4 20: 73 429 147 221 355 430 281 341 431 207 222 357 74 148 342 295 267 432 325 343 0.994 38.59 447.2 81 100 99 100 429 331.8 8.412 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1018 Neophytadiene 40.0479 1941.1 >21 scans 94% 95 m/z 0.011% 14.4% 6126 0.1 2024 4302426 1049085804 1007922024 0-3 20: 95 68 123 82 81 67 69 55 41 43 57 83 97 109 96 124 111 71 79 137 1.000 39.94 572.0 80 99 100 99 278 135.4 0.447 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 40.0710 1943.9 3.5 scans 25% 58 m/z (95) 0.14% 0.133% 6129 1.4 322 331746 9649911 4861384 15-1 14: 58 59 250 210 60 253 251 225 45 211 268 101 114 226 0.885 39.98 574.2 65 92 86 93 268 13.2 0.170 0.096 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1110 Phytol 40.4275 1988.1 8.3 scans 61% 82 m/z (149) 0.19% 0.431% 6190 1.0 472 250816 31309303 26813754 4-5 7: 82 81 68 95 83 96 124 0.910 40.66 -29.1 87 93 89 91 278 47.8 1.026 -0.234 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6176 2011.7 7.5 scans 20% 73 m/z 1.8% 0.0109% 6222 1.1 90 25529 794855 716887 1-6 18: 73 221 147 295 207 281 296 222 369 223 148 282 356 283 297 267 370 355 0.785 40.63 631.6 71 96 74 94 369 16.3 3.300 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1254 Phytol 40.8768 2043.8 8.0 scans 87% 95 m/z (131) 0.10% 0.574% 6266 1.0 611 447881 41642699 38618560 2-3 20: 95 81 68 57 123 43 69 55 83 71 79 41 97 109 124 278 111 56 110 53 0.996 40.87 1.1 98 99 99 100 278 73.3 1.442 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2628 2091.7 8.1 scans 74% 79 m/z (99) 0.51% 0.112% 6332 1.2 266 94198 8156147 7519670 2-3 20: 79 67 93 80 95 55 108 91 121 41 81 94 107 87 59 78 135 122 53 68 0.965 41.26 0.7 94 97 96 99 264 15.2 0.327 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1010 ? Phytol 41.52min 41.4364 2113.2 8.1 scans 20% 82 m/z (205) 0.31% 0.0765% 6361 1.3 216 151937 5550181 5245876 1-2 6: 82 95 96 278 279 280 0.755 41.52 719.3 71 99 75 94 278 39.6 3.365 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4748 2118.0 8.7 scans 85% 205 m/z (82) 0.14% 0.547% 6367 0.6 568 322869 39729652 36303769 3-2 20: 205 57 217 175 189 220 177 232 41 91 261 191 203 206 161 192 77 135 115 163 0.992 41.49 -78.6 84 100 98 100 276 36.8 0.419 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.6029 2125.7 >8 scans 49% TIC 1.1% 0.0284% 6389 0.7 175 41755 2066292 1990974 1-0 0.915 41.76 728.0 75 95 82 96 272 42.9 6.007 -0.158 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0132 2148.8 7.7 scans 91% 74 m/z 0.034% 0.706% 6459 0.9 702 1388072 51233468 48113302 2-3 20: 74 87 43 55 143 75 41 227 57 270 69 83 129 59 239 97 88 101 185 71 0.983 42.01 746.8 80 100 98 99 272 15.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3213 2166.1 9.7 scans 91% 73 m/z 0.044% 0.770% 6511 1.0 649 1084174 55876639 52095012 2-3 20: 73 147 281 221 429 207 503 282 355 74 430 295 148 431 505 223 342 149 325 222 0.983 42.37 757.1 75 92 95 99 503 98.1 2.284 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 42.6790 2186.1 8.2 scans 37% 149 m/z 0.35% 0.0207% 6571 0.9 117 134221 1502049 1420455 2-3 8: 149 150 223 104 205 76 65 50 0.718 40.31 811.2 70 94 74 94 223 21.0 3.256 2.374 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9996 2204.1 7.9 scans 69% 82 m/z 0.18% 0.0706% 6625 1.0 224 257577 5121513 4849587 2-3 14: 82 81 95 43 83 41 109 292 96 94 53 67 137 42 0.901 43.03 782.0 67 90 86 89 292 26.2 1.365 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1726 2213.8 7.8 scans 29% 187 m/z (267) 2.9% 0.0153% 6655 0.6 95 16577 1112104 997585 2-1 14: 187 272 134 161 119 105 147 188 252 162 189 273 106 163 0.693 43.24 -3.6 90 97 77 96 272 21.0 4.867 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN N406_R~1-N1088 ?? UNK Naphthalene derivative 43.2788 2219.8 8.6 scans 35% 159 m/z 0.62% 0.0273% 6673 1.5 126 77490 1982613 1747438 2-3 15: 159 263 186 129 160 270 157 128 143 144 131 264 199 130 187 0.598 43.31 792.2 69 95 74 97 270 24.1 3.664 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2788 2219.8 8.6 scans 58% 159 m/z (274) 0.59% 0.0504% 6673 1.5 162 80717 3660964 3226705 2-3 15: 159 263 186 129 160 270 157 128 143 144 131 264 199 130 187 0.913 43.31 -1.6 69 72 54 72 278 24.4 2.274 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1020 ? Icosane 43.8520 2252.0 8.2 scans 41% 71 m/z (133) 2.1% 0.0168% 6770 1.1 101 22653 1220020 1091428 3-5 15: 71 57 85 43 127 267 99 126 113 84 141 100 56 86 72 0.896 43.94 -4.7 75 90 86 87 282 4.8 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1234 ?? Thunbergol 45.1567 2326.9 8.2 scans 68% 111 m/z (263) 1.6% 0.0378% 6991 1.0 152 28429 2745956 2557038 2-2 20: 111 43 55 69 57 97 41 95 112 85 71 83 81 121 84 93 109 123 70 56 0.878 44.90 14.7 60 69 55 66 272 5.3 0.000 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7960 2363.7 8.2 scans 73% 73 m/z 0.36% 0.0701% 7099 1.1 213 131866 5090925 4847548 2-2 20: 73 355 147 221 281 356 207 357 429 222 148 74 341 223 283 503 401 342 327 325 0.913 45.78 1.1 99 99 89 98 503 18.3 0.733 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9117 2370.4 >13 scans 38% TIC 0.85% 0.00670% 7119 1.3 117 56514 0.0432% 486500 433094 3133258 5-0 0.704 45.92 891.7 70 94 67 89 298 21.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1006 2381.3 8.3 scans 84% TIC 0.29% 0.162% 7151 1.2 331 161029 0.210% 11762793 11223152 15231116 1-0 0.946 46.13 -1.9 97 98 94 98 292 21.7 0.432 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN HCMIX_~1-N1022 Henicosane 46.1880 2386.3 7.7 scans 67% 57 m/z (139) 0.52% 0.0553% 7166 0.9 187 91447 0.0590% 4012356 3518221 4279218 4-4 13: 57 71 85 43 99 56 113 127 141 72 58 296 86 0.972 46.28 -5.4 93 96 92 95 296 14.6 0.614 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7677 2419.7 8.4 scans 56% 57 m/z (91) 1.3% 0.0228% 7263 0.9 112 35393 1657132 1532930 1-3 18: 57 143 129 199 83 185 69 101 59 58 115 67 98 213 111 200 42 53 0.900 46.76 924.6 74 98 90 97 298 18.8 2.789 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9460 2545.0 7.8 scans 49% 73 m/z 1.8% 0.0108% 7633 1.1 86 26287 784286 713449 2-5 20: 73 147 221 429 341 281 356 431 296 207 430 355 148 295 402 222 282 267 74 401 0.760 48.95 994.6 73 98 75 98 429 23.8 7.737 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3575 2626.2 8.0 scans 58% 74 m/z 1.5% 0.0144% 7872 1.3 99 30609 1047871 972372 2-4 19: 74 87 43 69 75 129 143 55 57 283 41 88 97 85 98 59 101 326 255 0.772 50.36 1039.2 72 95 75 92 326 19.2 3.805 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8652 2713.0 7.8 scans 40% 73 m/z 3.5% 0.00497% 8127 1.2 59 13374 360647 323935 2-5 17: 73 221 147 429 281 148 430 355 341 356 283 503 357 431 504 222 401 0.659 51.86 1082.1 71 94 64 91 503 9.7 2.715 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6439 2872.9 10.2 scans 11% TIC 7.5% 0.000682% 8598 0.9 24 6389 0.00120% 49464 39708 87035 1-2 0.250 45.81 1396.4 62 94 25 87 503 5.1 0.000 8.832 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1168 771.4 20.8 scans 68% 77 m/z 0.18% 0.0665% 39 2.6 135 187771 4140036 3914910 1-2 14: 77 45 76 79 62 47 59 78 75 63 46 64 87 93 0.973 4.37 17.4 100 99 95 99 77 117.6 76.317 -0.254 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.1180 823.5 10.9 scans 58% 57 m/z (44) 0.92% 0.0209% 378 0.6 79 37484 1304009 1164793 1-8 14: 57 41 102 59 87 39 58 98 70 53 38 55 37 86 0.821 6.03 -138.1 70 97 89 97 102 9.3 0.000 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5206 834.0 17.0 scans 72% 207 m/z 0.40% 0.0404% 446 3.0 105 84965 2512794 2280180 2-2 20: 207 208 191 97 209 96 133 177 103 163 193 119 87 161 179 81 147 89 105 115 0.889 6.53 -142.8 80 100 88 99 207 79.1 56.502 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6274 862.8 8.7 scans 92% 41 m/z (96) 0.28% 0.185% 634 2.2 274 122926 11559474 10168223 2-3 20: 41 69 55 83 39 42 57 70 98 56 97 80 43 53 54 79 40 51 68 50 0.990 7.71 7.5 99 100 100 100 98 52.1 3.603 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2161 982.3 8.1 scans 65% 43 m/z (103) 0.48% 0.0532% 1411 1.5 155 71985 3309982 2942483 2-6 12: 43 99 71 249 94 39 126 111 58 53 81 67 0.792 12.22 36.0 87 93 39 99 281 72.8 22.010 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6606 993.9 10.6 scans 53% TIC 0.94% 0.00864% 1486 1.6 74 36903 0.0153% 537913 537913 951519 0-0 0.729 13.22 30.3 91 98 71 96 110 26.0 12.373 -0.561 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1022 ? Octanal 12.9180 1000.6 8.3 scans 66% 57 m/z (71) 3.7% 0.0151% 1530 1.5 83 9369 944950 886554 1-3 14: 57 84 56 41 82 44 55 69 85 42 68 67 99 110 0.962 12.96 -174.2 73 96 95 96 110 9.2 1.242 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1016 Limonene 13.8926 1027.0 8.3 scans 42% 68 m/z 3.5% 0.00649% 1695 1.2 58 9842 403990 361904 2-3 14: 68 93 67 107 94 136 79 121 53 91 54 80 82 105 0.623 13.89 51.7 84 96 69 94 136 13.8 5.608 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1140 1033.0 20.1 scans 94% 79 m/z 0.023% 2.21% 1732 1.4 722 1491710 137812970 128304323 2-2 20: 79 108 107 77 51 91 78 50 80 90 89 109 39 65 53 52 105 74 62 38 0.997 14.11 54.0 92 100 100 100 108 318.5 19.462 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4446 1042.0 10.5 scans 85% 91 m/z 0.084% 0.168% 1789 1.7 249 410830 10493536 9543861 2-3 20: 91 92 120 65 63 89 39 51 62 121 50 90 64 66 61 38 52 86 59 41 0.970 14.44 57.2 91 100 98 100 120 81.6 10.761 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1684 1061.6 11.1 scans 90% TIC 0.085% 0.249% 1911 1.9 289 407165 15535218 14503054 2-1 0.980 15.17 64.2 89 100 98 100 123 102.1 12.525 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.1985 1062.4 11.3 scans 3.1% 122 m/z (105 91) 2.1% 0.00545% 1916 2.1 42 15855 339401 293144 3-2 2: 122 45 0.500 20.03 -8.3 64 87 22 78 122 34.2 66.264 -4.831 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN 98-86-2 ? Acetophenone 15.2569 1064.0 >10 scans 49% 120 m/z (122) 0.50% 0.0379% 1926 1.7 124 68358 2361877 2040317 1-1 11: 120 121 51 63 107 75 49 65 89 38 125 0.957 15.29 -181.7 74 95 92 99 120 41.1 10.930 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.4275 1068.6 9.1 scans 26% 95 m/z 2.6% 0.00384% 1955 1.1 51 13036 239029 222641 3-1 15: 95 81 109 43 39 53 86 65 96 79 66 124 82 55 90 0.748 15.43 66.9 79 94 70 93 124 16.4 10.432 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1002 Undecane 16.5975 1100.4 8.2 scans 57% 57 m/z (59) 2.2% 0.0107% 2153 1.3 72 15661 665579 589324 2-1 15: 57 43 71 85 41 156 113 55 70 56 84 42 98 99 112 0.886 16.59 0.4 93 98 92 97 156 9.5 1.763 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1016 Nonanal 16.7752 1108.0 9.3 scans 86% 57 m/z (127) 0.29% 0.180% 2183 1.6 267 119709 11250244 9911218 7-2 20: 57 41 56 43 55 98 44 70 69 82 68 95 96 81 67 39 42 71 114 54 0.988 16.82 85.6 80 98 98 99 124 13.5 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9565 1115.6 8.8 scans 24% 71 m/z 2.2% 0.00445% 2214 1.1 56 15461 277307 268800 0-1 12: 71 95 85 110 58 43 156 113 84 86 69 111 0.697 16.97 90.9 72 94 63 92 128 16.7 8.933 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0969 1121.5 14.4 scans 89% TIC 0.011% 1.73% 2238 0.5 746 2992977 107921234 100091105 2-5 0.952 17.05 95.5 81 99 93 99 122 255.2 11.685 0.045 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0728 1162.8 8.6 scans 75% 73 m/z 0.30% 0.0634% 2403 1.5 175 115050 3943741 3660767 2-2 20: 73 267 355 356 268 357 269 251 74 155 339 358 249 191 75 45 323 179 194 189 0.889 18.13 -168.9 79 99 86 98 355 75.9 18.803 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3142 1173.0 7.7 scans 7.3% 281 m/z 11% 0.000376% 2445 0.3 18 3121 0.000724% 23409 23409 45026 0-0 6: 281 207 193 282 249 191 0.418 12.25 19.9 71 83 49 82 281 15.2 67.632 6.063 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.6985 1189.2 8.0 scans 31% 125 m/z (128) 8.9% 0.00519% 2509 1.1 52 3881 323181 293194 1-1 20: 125 98 111 55 112 69 67 43 41 126 79 83 107 81 97 91 70 56 110 54 0.861 18.71 138.4 66 93 83 91 153 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8266 1194.6 8.1 scans 66% TIC 2.1% 0.0175% 2531 1.1 108 16243 1092426 1041514 1-0 0.875 18.83 141.9 72 94 91 98 122 8.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 19.4996 1223.0 18.2 scans 36% 85 m/z 3.4% 0.0126% 2645 0.7 64 10079 784543 722754 1-1 12: 85 60 41 97 115 43 101 83 122 107 116 123 0.646 22.03 -86.1 64 88 63 86 175 0.0 0.000 -2.534 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7552 1233.8 10.3 scans 40% 119 m/z (127) 0.37% 0.0398% 2688 1.2 127 91975 2477925 2333503 2-3 10: 119 91 134 65 120 92 51 52 50 135 0.782 13.76 34.3 77 86 71 85 134 46.2 13.176 5.998 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7954 1235.5 10.0 scans 79% 57 m/z 0.16% 0.150% 2695 1.2 259 216801 9382384 8703000 2-5 20: 57 45 41 75 87 56 89 72 101 59 85 43 60 55 71 73 44 58 132 62 0.962 19.81 168.0 78 97 94 99 144 5.7 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3095 1257.3 8.4 scans 45% 57 m/z (112) 3.3% 0.00651% 2782 1.2 55 10443 405259 364406 2-2 11: 57 71 43 85 56 41 170 70 69 99 113 0.933 20.32 -0.4 90 94 87 93 170 6.9 1.541 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1034 ? Decanal 20.5232 1263.8 9.1 scans 65% 57 m/z 0.65% 0.0758% 2818 0.9 186 53262 4720057 4163326 4-2 19: 57 41 55 70 82 71 44 68 56 83 81 69 112 67 96 42 84 58 39 0.859 20.57 -143.2 78 99 87 98 138 10.8 0.336 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.0103 1278.4 9.8 scans 48% 94 m/z (91) 0.30% 0.0504% 2901 1.0 146 115389 3138912 2923214 2-2 7: 94 138 66 107 45 139 38 0.940 20.98 193.4 73 94 91 99 152 8.3 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0091 1308.4 8.1 scans 17% 175 m/z (138) 1.9% 0.00345% 3070 0.8 43 17459 215079 209502 1-2 3: 175 190 176 0.793 22.01 208.0 61 91 62 91 190 14.5 11.597 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1024 ?? Hexadecane 22.4991 1323.1 7.4 scans 35% 57 m/z (68) 5.0% 0.00640% 3153 1.0 60 6936 398225 369140 1-1 17: 57 71 43 137 96 55 70 41 56 98 84 39 83 67 69 45 82 0.839 33.32 56.1 64 79 79 86 226 0.0 0.000 -10.820 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1006 ?? Tridecane 22.4991 1323.1 7.4 scans 33% 57 m/z (121) 5.2% 0.00605% 3153 1.0 58 6641 376589 349084 1-1 17: 57 71 43 137 96 55 70 41 56 98 84 39 83 67 69 45 82 0.797 23.86 -40.9 65 80 82 78 184 0.0 0.000 -1.363 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8899 1334.8 9.7 scans 53% 69 m/z (85) 1.1% 0.0238% 3220 1.3 98 29622 1485248 1358869 2-3 5: 69 43 109 110 170 0.910 22.91 221.2 70 95 90 96 127 12.3 1.577 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1016 ?? Nicotine 23.6567 1357.8 >7 scans 22% 100 m/z (90) 1.1% 0.0229% 3349 0.2 117 29245 1426391 1426391 0-0 2: 100 99 0.895 25.35 208.6 64 89 82 94 162 0.0 0.000 -1.697 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.7972 1362.1 17.8 scans 87% 73 m/z 0.097% 0.544% 3373 0.1 408 357852 33878840 30588247 1-9 20: 73 60 57 41 115 55 129 43 98 69 61 87 39 56 42 45 101 83 74 70 0.984 22.70 -113.2 76 94 93 99 158 27.5 0.456 1.101 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.1000 1372.0 7.4 scans 82% 73 m/z 0.11% 0.149% 3424 1.0 299 294324 9309257 8957455 1-1 20: 73 341 429 342 147 325 343 430 431 326 74 207 327 344 148 75 432 251 311 45 0.940 24.17 -151.8 80 100 92 99 429 88.9 8.821 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7795 1394.6 10.6 scans 64% 43 m/z (71) 0.93% 0.0372% 3539 1.0 124 37129 2318189 2158119 2-2 20: 43 83 55 128 41 85 69 58 57 70 56 111 39 108 127 145 113 59 67 40 0.932 24.70 255.0 67 90 90 96 170 4.2 0.000 0.084 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2211 1409.4 7.2 scans 45% 43 m/z 0.67% 0.0105% 3614 1.1 81 51838 653455 599149 4-1 11: 43 145 103 116 115 74 86 113 104 61 158 0.887 25.24 -150.5 78 100 91 99 145 30.8 14.246 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4956 1418.6 >28 scans 93% 85 m/z 0.0049% 12.2% 3661 0.5 1601 7048004 14.2% 764350500 764350500 883108851 0-0 12: 85 99 70 88 96 171 121 129 139 114 87 136 1.000 25.89 261.6 79 98 98 98 162 468.2 8.546 -0.396 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7795 1428.1 7.5 scans 38% 93 m/z (159) 0.88% 0.0224% 3708 0.9 110 39399 1396169 1241903 10-2 12: 93 136 121 43 194 123 137 108 151 122 111 125 0.910 25.78 272.8 73 98 88 97 194 17.3 2.478 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1172 1472.7 >7 scans 62% TIC 0.94% 0.0147% 3935 1.0 115 36998 0.0412% 916204 875215 2562259 1-0 0.924 27.12 297.8 78 98 91 98 355 20.7 3.238 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.8 scans 73% 57 m/z (178) 0.49% 0.0437% 3944 1.0 154 70319 0.0623% 2718793 2577318 3874485 2-0 17: 57 71 43 85 41 55 56 99 70 86 42 112 98 113 126 69 127 0.981 27.21 -1.3 96 98 97 98 198 17.6 1.295 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N407_R~1-N1114 ?? Caryophyllene 27.8374 1499.4 9.6 scans 52% TIC 1.5% 0.0394% 4057 0.9 144 23150 2455825 2189023 3-1 0.715 27.84 314.0 68 94 70 93 204 10.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9720 1504.5 >10 scans 64% 118 m/z 0.53% 0.0373% 4080 0.7 142 64651 0.0785% 2323814 2244337 4881975 1-0 20: 118 145 78 105 39 90 117 138 59 75 130 116 65 109 52 41 79 131 166 71 0.932 27.93 317.8 76 96 91 99 146 59.9 17.662 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.1975 1513.0 7.6 scans 21% 136 m/z (74) 5.1% 0.00429% 4118 1.2 49 6803 267117 265267 0-1 6: 136 95 176 93 195 177 0.712 27.02 339.6 61 90 60 86 208 0.0 0.000 1.181 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3793 1519.8 8.5 scans 66% 80 m/z 0.25% 0.0468% 4149 0.9 158 136269 2914707 2655903 7-3 19: 80 171 104 53 172 77 91 51 81 65 103 105 39 78 168 170 63 128 52 0.925 28.39 326.4 77 97 88 96 171 70.9 20.100 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.5446 1526.0 8.3 scans 61% 108 m/z 1.2% 0.0408% 4177 1.0 152 27826 2540704 2367191 2-1 19: 108 109 93 105 107 91 189 147 204 121 161 133 81 97 79 123 119 77 134 0.870 45.98 46.3 69 76 63 75 204 28.3 3.487 -17.430 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6550 1530.2 7.6 scans 76% 43 m/z 0.11% 0.155% 4196 1.0 300 295198 9661570 8757925 1-8 19: 43 69 41 151 136 107 67 125 93 83 109 53 121 81 39 68 79 108 77 0.906 28.67 332.8 78 98 90 98 194 19.1 0.403 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BQLD_R~1-N1060 ?? UNK Hydrocarbon with methyl chains 29.0883 1546.5 7.4 scans 78% 71 m/z (179) 0.25% 0.130% 4269 1.0 256 137555 8096310 6618233 2-13 20: 71 57 43 85 41 70 55 113 141 56 99 112 84 177 97 69 183 42 127 72 0.978 29.09 342.8 68 90 92 93 220 22.6 0.781 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0883 1546.5 7.4 scans 71% 71 m/z 0.25% 0.105% 4269 1.0 244 138002 6570668 5371115 2-13 20: 71 57 43 85 41 70 55 113 141 56 99 112 84 177 97 69 183 42 127 72 0.912 29.10 342.6 66 88 90 87 227 4.4 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5140 1562.5 8.5 scans 88% TIC 0.042% 0.609% 4341 1.0 562 823024 37934770 35095161 5-1 0.981 29.61 -150.6 80 99 97 100 503 91.1 2.627 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1022 Nicotyrine 29.6403 1567.2 10.8 scans 77% TIC 0.021% 0.932% 4363 0.7 641 1630017 57990796 54271734 1-2 0.956 29.68 354.6 80 100 97 99 158 346.6 29.231 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7507 1571.4 6.5 scans 51% TIC 0.13% 0.0279% 4381 1.1 189 254217 1736250 1667902 0-1 0.918 29.77 357.4 76 97 88 96 193 15.9 0.706 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N407_R~1-N1118 ? UNK Hydrocarbon double ring structure 29.8375 1574.6 8.1 scans 73% TIC 0.10% 0.184% 4396 0.9 365 341141 0.210% 11477529 11312353 13060060 1-3 0.931 29.85 359.5 79 100 93 99 204 56.2 2.363 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9372 1578.4 8.5 scans 33% 71 m/z (167) 0.74% 0.0365% 4412 1.1 125 46745 2275529 2012858 2-2 11: 71 85 43 99 113 127 155 169 154 156 197 0.875 29.94 362.0 71 97 84 97 254 2.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3174 1592.7 8.6 scans 32% 57 m/z (150) 0.98% 0.0219% 4477 0.9 95 35398 0.0263% 1367853 1277436 1635617 0-1 18: 57 71 85 91 41 113 99 43 112 42 208 70 98 92 126 90 212 72 0.821 30.38 -2.2 80 91 82 89 212 11.2 0.000 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4880 1599.6 8.0 scans 81% 191 m/z 0.040% 0.246% 4506 0.9 374 867216 15335056 14251144 2-3 20: 191 206 192 57 163 74 175 41 91 115 88 107 73 207 77 128 147 133 161 105 0.950 30.50 374.8 80 99 94 99 206 101.1 7.308 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1098 Olivetol 30.8115 1613.2 8.4 scans 69% 124 m/z 0.16% 0.129% 4561 1.0 263 208309 8052908 7602656 2-5 18: 124 137 55 180 125 81 138 82 54 96 109 53 39 123 95 165 110 181 0.920 30.81 383.8 80 100 95 100 180 68.1 6.720 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8575 1615.1 9.5 scans 38% 162 m/z (124) 0.61% 0.0394% 4569 1.1 130 56412 2451827 2211129 2-3 11: 162 147 161 163 89 145 102 115 131 154 118 0.826 30.88 -0.9 74 80 57 80 204 4.1 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9296 1618.1 8.8 scans 15% 171 m/z (159) 2.5% 0.00482% 4581 1.4 48 13456 300203 279798 1-3 4: 171 172 156 173 0.924 30.93 0.1 92 96 79 95 171 31.5 43.582 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1840 1628.8 9.3 scans 75% TIC 0.12% 0.204% 4624 0.9 321 277668 12733062 11655965 2-1 0.914 31.18 393.8 79 100 96 99 180 69.2 4.647 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN GLAU_R~1-N1084 ?? Pentadecane 31.3186 1634.5 >11 scans 40% TIC 1.1% 0.0228% 4647 1.6 114 30207 1418812 1303219 0-3 0.622 24.54 497.2 61 91 80 90 169 16.1 2.015 6.777 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5081 1642.4 8.8 scans 80% 43 m/z (149) 0.23% 0.0980% 4679 0.9 215 147175 6098916 5535002 2-2 20: 43 98 111 166 55 151 82 41 83 127 68 67 123 69 107 39 81 84 59 85 0.982 31.52 -0.3 96 97 97 99 166 44.6 4.310 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6386 1647.9 7.8 scans 40% 85 m/z (342) 2.6% 0.0140% 4701 1.0 88 13142 873332 873332 0-0 18: 85 73 341 237 196 429 223 99 325 89 183 113 238 207 343 355 74 267 0.787 31.63 0.2 63 69 77 92 429 10.8 1.502 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9148 1659.5 7.8 scans 43% 83 m/z (202) 1.5% 0.0209% 4748 1.1 107 22955 1302473 1218676 1-1 4: 83 82 203 145 0.752 31.92 -0.2 69 77 77 90 219 8.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0748 1666.2 6.6 scans 54% 221 m/z (177) 0.69% 0.0264% 4775 1.0 128 50145 1643538 1477982 3-2 20: 221 73 147 295 222 207 355 341 223 281 267 296 325 356 148 74 343 342 268 297 0.937 32.08 -0.2 95 98 92 98 355 22.1 2.975 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2354 1673.0 8.4 scans 40% 57 m/z (163) 1.2% 0.0195% 4802 1.5 94 27394 0.0196% 1216777 1152815 1218939 4-2 12: 57 71 43 85 56 183 81 99 70 113 93 184 0.732 32.24 -0.1 76 92 82 89 226 4.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4349 1681.4 8.4 scans 54% 57 m/z (177) 0.87% 0.0319% 4836 1.3 124 39824 1988158 1910312 2-1 17: 57 71 85 56 43 197 41 196 55 99 82 70 127 141 128 58 110 0.897 32.44 -0.3 93 98 88 96 226 4.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.8 scans 50% 205 m/z 1.8% 0.0416% 4875 0.9 147 19281 2589508 2328270 3-4 15: 205 119 91 105 159 93 107 79 121 106 187 131 133 149 145 0.778 32.67 -0.4 93 95 72 93 220 9.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8735 1699.8 >9 scans 27% TIC 1.2% 0.0117% 4910 0.0 95 27822 0.0346% 728035 680718 2151800 2-0 0.580 32.87 0.3 63 75 52 76 186 5.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9267 1702.0 7.8 scans 57% 71 m/z 0.14% 0.0546% 4919 1.0 177 242358 3400145 3163272 5-2 12: 71 43 159 111 56 155 72 173 143 243 73 244 0.867 32.93 -0.3 96 98 94 97 243 28.0 2.496 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0831 1708.6 7.1 scans 36% 83 m/z (177) 4.2% 0.0119% 4946 1.0 84 8178 745443 690470 1-2 19: 83 97 111 57 69 55 70 43 56 41 84 67 71 82 152 129 98 85 54 0.849 33.09 -0.1 89 97 96 97 224 3.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 7.4 scans 72% 57 m/z (162) 0.35% 0.0684% 4983 0.8 186 96947 4258900 3736962 3-7 18: 57 71 43 85 41 55 99 56 226 70 42 113 84 98 86 112 72 141 0.961 33.37 -2.9 93 98 95 97 226 20.7 1.238 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8871 1728.2 >10 scans 21% TIC 3.3% 0.00195% 5082 0.9 60 10320 0.00707% 121706 121706 439689 0-0 0.598 33.90 -0.1 73 90 75 87 197 11.5 3.586 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2703 1733.6 7.7 scans 16% 57 m/z (59) 1.8% 0.00820% 5147 1.1 67 19090 510322 480884 1-1 12: 57 71 85 211 182 210 98 141 165 154 162 183 0.724 34.27 0.0 79 93 65 89 211 14.9 4.951 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3966 1735.4 7.9 scans 95% 355 m/z 0.015% 1.77% 5168 1.0 997 2218477 110620582 105172282 2-2 20: 355 221 147 356 401 357 282 415 327 267 74 283 207 148 403 223 358 385 416 75 0.993 34.39 452.4 81 100 99 100 415 117.4 1.389 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8021 1741.2 14.8 scans 92% TIC 0.020% 1.37% 5237 0.3 665 1661447 85363196 81852959 1-1 0.990 34.79 452.2 81 100 99 100 199 183.5 7.608 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9013 1742.7 7.7 scans 40% 68 m/z (204) 1.6% 0.0250% 5254 0.8 118 21729 1558772 1487649 1-3 1: 68 0.915 34.90 -0.0 87 90 86 97 224 13.8 1.364 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6888 1753.9 8.8 scans 18% 123 m/z (131) 1.6% 0.0102% 5387 1.2 71 21280 640392 597135 1-2 13: 123 209 193 195 194 77 165 133 210 124 167 79 179 0.651 35.70 451.2 61 91 56 88 224 10.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9255 1757.3 9.3 scans 70% 91 m/z (99) 0.21% 0.125% 5427 1.0 236 158805 7783275 7216009 1-6 18: 91 155 184 65 199 44 92 97 55 83 89 39 70 156 63 119 133 56 0.962 35.94 450.9 61 84 82 84 238 5.1 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5330 1766.0 7.7 scans 11% 221 m/z 0.97% 0.0121% 5530 0.9 84 35853 756914 699335 4-3 18: 221 73 207 147 222 295 369 281 223 208 341 282 327 297 209 356 283 371 0.401 36.58 449.5 74 97 41 94 369 18.8 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1930 1775.4 7.5 scans 26% 209 m/z (211) 1.8% 0.00960% 5642 1.0 72 18816 597227 535582 6-1 9: 209 166 210 181 152 178 164 193 102 0.740 37.20 449.1 70 96 68 97 224 22.0 9.332 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1108 ?? Solavetivone 37.3836 1778.2 8.8 scans 50% 135 m/z (216) 3.4% 0.0316% 5675 1.3 124 10109 1969272 1933253 1-1 19: 135 79 147 107 91 93 121 105 67 108 136 119 133 94 137 134 148 53 138 0.874 38.84 426.2 63 89 79 89 272 0.0 0.000 -1.459 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0608 1787.9 8.3 scans 55% 57 m/z (104) 0.91% 0.0307% 5789 1.0 125 38209 1913919 1799256 2-1 19: 57 71 85 43 99 56 225 41 155 55 127 58 70 69 141 113 98 97 196 0.915 38.06 448.2 74 99 95 98 225 22.8 3.317 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5985 1795.5 9.1 scans 93% 73 m/z 0.023% 1.19% 5880 1.2 753 1474630 74168474 70511698 2-3 20: 73 147 221 355 429 430 281 207 431 356 222 341 401 342 282 267 459 343 327 402 0.987 38.59 447.4 81 100 98 100 429 213.3 8.022 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1016 ? Octadecane 38.8223 1798.7 13.9 scans 34% 71 m/z (98) 1.5% 0.0239% 5918 1.7 85 22681 1491144 1376524 1-2 17: 71 85 43 155 55 99 176 238 41 84 58 97 182 161 44 118 183 0.827 38.91 -1.3 77 83 76 79 254 2.8 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7739 1907.1 >4 scans 7.1% 280 m/z (156) 0.26% 0.109% 6079 0.2 302 131635 6791254 6791254 0-0 6: 280 195 237 182 49 62 0.119 40.66 526.6 60 86 14 84 278 42.0 0.000 -0.888 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8554 1917.2 >11 scans 99% 194 m/z 0.011% 6.40% 6094 0.0 1683 2956602 398186139 371161293 1-0 15: 194 280 164 263 209 250 147 59 157 251 49 115 208 279 145 1.000 39.94 548.1 80 99 100 99 278 76.9 0.209 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4008 1984.8 7.4 scans 29% 149 m/z (221) 0.097% 0.0672% 6185 0.9 196 357623 4181668 3942325 2-4 10: 149 150 104 223 76 167 205 178 132 50 0.935 40.31 609.9 71 95 81 96 223 43.0 4.838 0.096 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1110 Phytol 40.4368 1989.3 18.9 scans 66% TIC 0.27% 0.147% 6191 1.5 313 124673 0.326% 9203465 9203465 20274189 0-0 0.817 40.66 -27.9 89 92 77 91 278 33.5 1.149 -0.225 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6181 2011.8 >6 scans 43% TIC 1.1% 0.00685% 6222 0.7 115 31542 0.101% 426255 394160 6281267 1-0 0.915 40.63 631.7 75 95 93 99 369 17.9 2.399 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1254 Phytol 40.8796 2044.2 7.6 scans 87% 82 m/z (184) 0.21% 0.269% 6267 1.2 382 161400 16789966 15654104 2-4 20: 82 81 95 68 123 57 43 69 79 83 67 55 71 41 96 97 109 124 278 111 0.990 40.87 1.5 97 99 99 99 278 46.6 1.488 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2716 2092.8 8.0 scans 80% 79 m/z (191) 0.22% 0.187% 6333 1.1 315 151785 11639750 10695569 2-3 20: 79 67 93 95 80 91 121 108 55 41 81 77 94 107 135 87 59 78 105 122 0.959 41.26 1.8 96 98 95 99 264 22.3 0.502 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4256 2111.9 >11 scans 6.4% 85 m/z (205) 1.8% 0.0107% 6359 0.0 66 19018 0.0174% 666153 610861 1082119 1-0 11: 85 113 268 245 244 99 279 225 210 186 100 0.720 41.48 -7.1 67 81 47 76 268 6.8 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4794 2118.5 8.7 scans 89% TIC 0.10% 0.580% 6368 0.6 550 325283 36094309 33311209 3-2 0.965 41.49 -78.1 86 100 96 100 276 35.7 0.422 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6618 2129.0 8.6 scans 74% 69 m/z (125) 0.19% 0.138% 6399 0.8 252 175477 8589238 7758098 4-2 18: 69 93 81 41 133 67 120 91 107 95 68 77 119 53 121 134 94 109 0.979 41.75 731.5 76 99 97 98 272 5.9 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0207 2149.2 7.9 scans 94% 74 m/z 0.020% 1.05% 6460 0.8 768 1679873 65840410 62401372 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 83 59 129 97 88 101 185 171 199 0.990 42.01 747.2 80 100 99 100 272 17.2 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.2055 2159.6 8.2 scans 18% TIC 5.4% 0.00367% 6491 1.3 64 6372 228554 219768 0-1 0.440 42.40 -10.8 63 70 29 66 272 2.6 0.000 -0.194 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.2055 2159.6 8.5 scans 21% 257 m/z 5.2% 0.00702% 6491 1.5 68 6606 436903 435468 2-0 6: 257 93 137 123 107 133 0.492 42.05 9.0 66 72 35 68 272 2.6 0.000 0.160 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3371 2166.9 8.4 scans 85% 73 m/z 0.089% 0.272% 6513 1.2 376 389438 16970058 15549884 2-3 20: 73 147 281 221 355 429 503 207 341 282 74 222 283 430 148 356 504 505 431 327 0.968 42.37 757.9 75 93 95 99 503 60.3 2.567 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0012 2204.2 8.0 scans 76% 82 m/z (124) 0.18% 0.0765% 6626 1.1 199 187361 4758404 4423600 2-3 13: 82 81 95 43 83 41 109 96 94 53 137 138 107 0.931 43.03 782.1 68 93 92 94 292 23.9 1.435 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1742 2213.9 8.1 scans 25% 187 m/z (83) 3.6% 0.0109% 6655 0.9 73 9446 680302 603810 4-3 8: 187 161 272 105 162 163 188 253 0.646 43.24 -3.5 88 97 72 95 272 16.2 4.868 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2952 2220.7 >6 scans 25% 264 m/z (179) 2.3% 0.00767% 6675 999.0 64 14713 0.0115% 477538 398781 715194 0-2 18: 264 57 187 143 173 185 278 240 115 131 117 146 87 153 130 141 156 270 0.687 43.31 -0.7 77 83 41 81 278 18.7 8.635 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1020 ? Icosane 43.8466 2251.7 8.3 scans 47% 85 m/z (205) 1.8% 0.0161% 6770 1.2 91 19323 1005167 905527 1-1 14: 85 43 141 41 70 69 97 84 282 268 56 72 83 86 0.888 43.94 -5.0 76 91 85 88 282 5.5 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3029 2277.8 7.2 scans 28% 221 m/z (122) 2.3% 0.00972% 6846 1.1 75 14863 604663 547893 1-7 18: 221 73 147 281 207 369 222 223 370 296 148 279 297 283 282 149 265 205 0.752 44.32 830.5 73 99 93 99 369 13.0 3.007 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1961 2329.2 >3 scans 27% 205 m/z 1.1% 0.0281% 6997 999.0 158 29155 0.0964% 1748675 1178959 5995190 0-13 4: 205 232 166 233 0.395 44.90 17.0 87 91 39 89 272 17.8 0.000 0.295 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7970 2363.8 8.4 scans 64% TIC 0.55% 0.0383% 7099 1.3 147 63180 2382543 2134508 4-1 0.872 45.78 1.2 96 97 85 96 503 13.4 0.824 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1052 2381.5 8.1 scans 88% TIC 0.10% 0.426% 7152 1.0 483 342018 0.559% 26512626 24437223 34764637 2-0 0.964 46.13 -1.7 97 97 96 99 292 34.2 0.502 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN HCMIX_~1-N1022 Henicosane 46.1902 2386.4 8.0 scans 81% 57 m/z (264) 0.17% 0.152% 7166 0.8 281 193550 0.210% 9478188 8984452 13060060 0-3 18: 57 71 85 43 99 41 55 113 70 56 127 83 97 42 112 141 197 98 0.959 46.28 -5.3 95 98 94 97 296 22.4 0.634 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1042 ?? Phytol 46.3608 2396.2 8.6 scans 80% TIC 0.17% 0.150% 7195 1.7 278 194311 9333685 8445792 2-3 0.943 35.35 1098.8 60 82 84 83 196 15.4 0.309 11.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7575 2419.1 7.7 scans 56% 74 m/z (91) 1.1% 0.0186% 7263 1.0 100 31379 1160367 1060164 3-4 10: 74 87 75 298 255 199 129 59 269 171 0.881 46.76 924.0 74 98 88 96 298 18.7 3.512 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5007 2461.9 8.2 scans 27% 138 m/z (95) 7.8% 0.00399% 7388 1.1 45 4430 248381 223230 4-3 7: 138 121 120 56 139 84 113 0.728 47.50 949.1 67 95 73 94 168 5.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4435 2516.1 8.7 scans 25% 148 m/z (85) 4.2% 0.00405% 7547 1.0 43 8136 252334 215527 5-6 9: 148 95 105 96 133 286 108 123 162 0.609 48.48 977.9 62 90 57 86 286 6.3 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9406 2544.7 7.6 scans 66% 73 m/z (223) 1.1% 0.0188% 7632 1.0 101 29606 1169946 1075745 3-4 20: 73 147 221 355 429 430 207 295 222 341 74 431 356 281 283 401 357 208 297 205 0.865 48.95 994.3 74 99 91 99 429 26.2 6.794 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8633 2712.9 8.0 scans 55% 147 m/z (105) 1.6% 0.0133% 8127 0.9 82 20760 832649 771936 2-6 18: 147 325 357 431 148 296 208 356 283 205 341 223 265 430 399 209 343 297 0.774 51.86 1082.0 74 98 79 96 503 12.4 2.258 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6260 2871.9 9.4 scans 29% 431 m/z (252) 4.3% 0.00619% 8595 1.5 50 8076 385479 346120 4-0 16: 431 281 327 205 503 430 267 415 282 341 296 504 74 75 268 505 0.687 45.81 1395.4 68 96 75 94 503 7.6 0.000 8.814 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1002 ? Contamination 4.37min 5.9521 819.2 >18 scans 47% TIC 0.85% 0.00618% 350 1.7 59 45589 0.0103% 475400 448665 791519 0-1 0.874 4.37 65.2 79 96 77 96 77 56.0 90.634 1.581 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5206 834.0 22.1 scans 70% 207 m/z 0.45% 0.0342% 446 2.7 101 85394 2633463 2432122 1-2 19: 207 208 209 96 191 133 119 115 163 88 117 176 162 89 61 73 193 56 39 0.857 6.53 -142.8 79 100 86 99 207 76.6 57.938 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6251 862.8 8.5 scans 91% 69 m/z 0.29% 0.133% 633 1.7 276 132221 0.169% 10243248 9614251 12987062 2-0 20: 69 55 41 83 39 42 57 98 70 56 43 97 80 53 54 40 68 79 38 51 0.994 7.71 7.5 100 100 99 100 98 54.1 3.849 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2226 982.5 15.6 scans 50% 281 m/z 0.48% 0.0292% 1412 2.5 101 81220 2250011 2115984 1-1 19: 281 265 282 99 72 267 284 235 193 207 283 133 251 192 111 117 73 179 206 0.739 12.22 36.2 93 99 80 99 281 74.8 55.123 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2149 1008.6 10.9 scans 75% 110 m/z 0.46% 0.0291% 1580 2.5 116 84950 2243676 2178943 0-2 19: 110 39 67 41 79 68 65 77 51 50 66 54 111 40 52 62 82 109 78 0.910 13.22 45.0 91 98 89 97 110 33.0 8.073 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1016 Limonene 13.8867 1026.8 7.8 scans 61% 68 m/z (57) 2.3% 0.0134% 1694 1.3 90 16766 1034897 942513 2-3 14: 68 93 67 136 121 108 79 53 91 94 92 103 39 80 0.852 13.89 51.5 84 95 90 96 136 18.2 4.110 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1400 1033.7 >29 scans 87% 79 m/z 0.25% 0.246% 1737 1.3 221 151936 18967537 17573376 1-2 15: 79 108 107 77 89 91 140 106 54 63 75 81 92 66 73 0.984 14.11 54.7 92 100 99 100 108 97.5 19.450 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1012 ? Benzeneacetaldehyde 14.6010 1046.2 >6 scans 22% 92 m/z 1.5% 0.00354% 1815 6.5 56 24934 272514 242267 0-5 3: 92 138 124 0.707 14.44 61.4 76 91 68 90 120 19.1 11.655 0.159 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1678 1061.5 >14 scans 88% TIC 0.14% 0.117% 1911 1.3 227 268902 0.193% 9067392 8719444 14831379 2-0 0.985 15.17 64.1 89 99 98 99 123 78.5 11.939 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2108 1062.7 23.5 scans 6.9% 109 m/z (105) 3.2% 0.00946% 1918 1.2 52 12116 727633 663002 1-1 5: 109 44 47 66 80 0.380 16.11 -207.5 68 92 69 96 109 26.4 25.751 -0.898 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN 98-86-2 ? Acetophenone 15.2516 1063.8 >13 scans 55% 105 m/z 0.26% 0.0562% 1926 1.3 168 148322 0.103% 4323361 4055429 7915192 0-2 19: 105 120 77 51 43 106 50 39 62 42 74 63 55 76 107 61 89 91 104 0.859 15.29 -181.9 78 98 92 99 120 59.0 12.416 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4222 1068.4 8.8 scans 61% 95 m/z 0.23% 0.0629% 1954 1.6 192 163873 4833751 4406565 1-4 18: 95 81 124 79 43 53 109 39 41 82 65 96 67 51 77 125 50 63 0.837 15.43 66.7 87 99 85 98 124 61.5 10.198 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5231 1071.2 9.7 scans 30% 56 m/z (59) 4.2% 0.00878% 1971 1.5 67 9131 675318 617157 1-1 14: 56 70 69 84 55 42 83 41 80 67 52 68 120 111 0.915 18.83 18.5 61 67 64 68 122 0.0 0.000 -3.307 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1002 Undecane 16.5958 1100.4 8.4 scans 24% TIC 3.5% 0.00192% 2153 0.9 52 11129 147827 139033 0-1 0.648 16.59 0.4 88 93 67 93 156 7.8 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1004 ? Blank_Nonanal 16.8030 1109.1 11.6 scans 48% 82 m/z (81) 2.6% 0.0150% 2188 1.4 79 14828 1157236 1049638 0-1 16: 82 57 56 41 70 98 44 67 55 96 114 95 54 99 66 53 0.869 16.82 -182.3 70 94 82 92 124 2.9 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.8030 1109.1 11.6 scans 49% 82 m/z (79) 2.7% 0.0153% 2188 1.4 80 14121 1180965 1071160 0-1 16: 82 57 56 41 70 98 44 67 55 96 114 95 54 99 66 53 0.901 16.82 86.7 74 95 86 94 124 2.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9600 1115.8 9.4 scans 44% 71 m/z 0.55% 0.0300% 2215 1.4 126 71107 2310364 2153914 1-4 11: 71 95 110 58 128 57 55 72 70 113 59 0.740 16.97 91.1 77 97 69 96 128 36.9 8.651 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.3313 1131.4 10.2 scans 87% 91 m/z 0.064% 0.229% 2277 0.9 327 605216 17610916 15632640 5-4 20: 91 92 122 65 51 39 77 93 63 78 103 123 104 90 50 62 61 66 64 52 0.976 17.05 105.4 80 99 97 100 122 109.1 11.121 0.279 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1023 1164.0 11.5 scans 61% 73 m/z 0.65% 0.0327% 2408 1.9 123 59596 2516122 2342072 2-1 20: 73 355 267 356 357 268 162 74 341 154 237 170 250 269 249 339 87 194 223 358 0.863 18.13 -167.7 79 99 83 98 355 54.5 19.693 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6914 1188.9 >9 scans 44% TIC 4.2% 0.00709% 2508 999.0 78 9193 0.0185% 544989 524803 1421661 0-1 0.860 18.71 138.1 74 96 92 97 153 3.6 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN M4942-N1002 ? Pyranone 19.0698 1204.9 13.3 scans 71% 144 m/z 0.68% 0.0455% 2572 1.1 137 56970 3501036 3258017 3-3 16: 144 43 101 44 73 145 55 45 115 146 42 56 105 102 127 113 0.942 20.04 -185.6 78 98 90 97 144 60.3 19.398 -0.972 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1018 ? Pyranone 19.0698 1204.9 13.3 scans 75% 144 m/z (82) 0.68% 0.0538% 2572 1.1 141 57313 4135022 3847996 3-3 16: 144 43 101 44 73 145 55 45 115 146 42 56 105 102 127 113 0.948 18.22 161.4 77 99 96 99 144 60.3 18.308 0.849 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1265 1207.3 9.3 scans 9.1% 82 m/z (144 154) 5.9% 0.00225% 2581 1.2 33 6562 173019 160904 3-1 3: 82 81 54 0.678 19.12 150.2 61 96 71 93 97 4.2 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.7570 1233.9 12.1 scans 67% 119 m/z (133) 0.50% 0.0378% 2689 1.3 123 77759 2911763 2686953 3-3 12: 119 91 134 65 63 120 92 62 90 135 86 121 0.942 13.76 34.4 76 84 71 85 134 42.6 12.035 6.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9577 1242.4 9.2 scans 65% 57 m/z 0.51% 0.0397% 2722 1.1 143 76369 3057141 2656765 6-4 19: 57 45 75 41 87 100 56 101 89 72 59 60 132 73 58 71 61 62 131 0.923 19.81 174.9 77 98 95 98 144 3.8 0.000 0.144 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3225 1257.8 10.2 scans 19% 43 m/z (99) 8.1% 0.00274% 2784 0.8 35 4795 211176 188916 2-2 7: 43 170 68 69 127 55 120 0.570 20.32 0.1 82 90 54 88 170 7.3 4.307 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1032 ?? UNK Hydrocarbon 20.56min 20.5392 1264.3 10.6 scans 21% 57 m/z 5.2% 0.00359% 2821 1.0 46 7419 276558 239838 4-1 15: 57 55 70 41 81 68 56 83 96 67 84 109 113 112 72 0.468 20.56 185.6 69 94 44 90 128 5.8 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1034 ? Decanal 20.5392 1264.3 10.6 scans 45% 57 m/z (110) 5.2% 0.0103% 2821 1.0 67 7407 792928 687649 4-1 15: 57 55 70 41 81 68 56 83 96 67 84 109 113 112 72 0.911 20.57 -142.7 73 99 92 98 138 4.3 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9878 1277.7 8.8 scans 49% 137 m/z 0.80% 0.0599% 2897 1.3 183 48719 4606421 4275670 3-3 16: 137 91 77 152 109 121 93 123 67 81 136 79 39 95 65 122 0.700 21.00 192.4 67 88 73 88 155 1.9 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1266 Octanoic acid 21.2783 1286.5 17.6 scans 21% 69 m/z (121) 4.0% 0.0193% 2946 1.2 74 9751 1488810 1326060 2-1 10: 69 60 85 57 101 56 83 98 97 111 0.579 22.03 -22.6 89 93 88 94 175 0.0 0.000 -0.756 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.3609 1288.9 10.4 scans 85% TIC 0.11% 0.113% 2960 1.0 246 349968 8709800 8062205 1-2 0.967 20.98 203.9 79 98 96 99 152 0.0 0.000 0.378 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0050 1308.3 8.1 scans 29% 175 m/z (70) 2.6% 0.00352% 3069 1.2 45 14751 270598 244730 3-4 3: 175 176 190 0.708 22.01 207.9 72 98 74 97 190 13.4 8.927 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0068 1338.3 12.5 scans 72% 43 m/z (57) 0.61% 0.0584% 3239 0.5 143 64071 4492084 4211742 1-2 20: 43 69 109 86 41 110 127 128 59 55 67 95 81 39 44 70 111 53 89 87 0.936 22.91 224.7 72 96 93 97 127 19.6 1.885 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1006 Tridecane 23.8391 1363.3 8.9 scans 27% 57 m/z (73) 5.7% 0.00436% 3380 1.3 45 6850 335423 300887 1-3 4: 57 71 184 113 0.791 23.86 -0.7 82 95 83 91 184 6.1 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1396 1373.3 7.2 scans 77% 73 m/z 0.22% 0.0706% 3431 1.0 222 171421 5426741 5033530 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 327 344 207 432 148 75 251 311 59 0.917 24.17 -150.5 80 99 89 99 429 68.6 9.516 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1040 Nonanoic acid 24.9247 1399.5 12.6 scans 82% 60 m/z 0.29% 0.140% 3564 1.1 240 132372 10810761 9982386 2-4 19: 60 73 57 115 129 43 69 98 87 61 45 56 39 42 101 83 74 68 97 0.954 22.70 -75.8 83 96 94 99 158 16.6 0.476 2.229 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 25.1119 1405.7 11.6 scans 56% 43 m/z (96) 1.9% 0.0170% 3596 1.3 83 19994 1309294 1236279 1-1 17: 43 83 55 82 56 41 111 85 70 71 68 69 67 39 100 93 127 0.904 24.70 266.1 69 92 88 97 170 4.0 0.000 0.416 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1004 Nicotine 25.7677 1427.7 >21 scans 96% 133 m/z 0.0050% 13.0% 3707 0.1 1835 7680950 1001903553 988949203 0-1 20: 133 84 162 161 119 42 118 92 51 82 65 78 117 91 104 63 77 39 55 52 0.997 25.89 270.7 80 99 99 99 162 551.0 9.016 -0.124 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0700 1437.8 7.7 scans 7.3% 145 m/z (156) 6.4% 0.00160% 3758 0.9 31 6038 123004 113432 0-3 3: 145 160 115 0.692 27.08 -185.0 60 89 62 88 160 14.6 22.505 -1.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1025 1472.2 6.4 scans 39% 221 m/z (161) 2.3% 0.00721% 3933 1.0 73 16336 554745 510313 2-3 15: 221 73 147 281 355 222 223 148 282 443 356 323 267 269 444 0.821 27.12 297.3 70 94 75 94 355 13.6 3.425 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1715 1474.5 7.7 scans 71% 57 m/z (170) 0.51% 0.0383% 3944 1.2 152 75376 0.0477% 2945237 2750957 3665579 2-0 18: 57 71 43 85 41 56 55 99 70 198 42 98 112 113 86 72 83 141 0.966 27.21 -1.3 94 98 95 98 198 18.6 1.491 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1032 Myosmine 27.9254 1502.7 9.2 scans 88% TIC 0.066% 0.295% 4072 0.8 404 592490 22709011 20555624 2-2 0.981 27.93 316.0 80 99 96 99 146 175.8 18.954 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3947 1520.4 8.5 scans 81% 80 m/z 0.094% 0.127% 4151 0.9 279 415972 9795573 9363676 2-2 20: 80 171 83 104 53 170 78 172 91 77 81 51 65 103 39 105 79 169 115 63 0.955 28.39 327.0 78 98 93 98 171 124.4 19.886 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6592 1530.3 8.1 scans 74% 43 m/z (166) 0.21% 0.104% 4196 1.0 241 184713 8029824 7026552 4-8 18: 43 69 41 151 107 136 125 67 93 109 53 108 121 39 81 68 79 161 0.984 28.67 332.9 77 99 98 99 194 15.5 0.417 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0948 1546.7 7.6 scans 73% 71 m/z (126) 0.34% 0.0758% 4270 1.0 220 113460 5826940 5508852 1-1 20: 71 57 43 85 41 70 55 141 56 113 99 112 183 84 179 69 97 118 42 72 0.975 29.10 342.8 71 93 95 96 227 2.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5299 1563.1 >9 scans 70% TIC 0.21% 0.0968% 4344 1.1 257 185760 7439820 6932792 9-0 0.957 29.61 -150.0 79 99 94 99 503 43.3 2.824 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1022 ? Nicotyrine 29.6521 1567.6 11.5 scans 81% 158 m/z (177) 0.013% 1.54% 4364 0.7 813 2887052 119036368 111903024 3-2 20: 158 157 130 159 116 117 89 156 90 63 104 78 143 142 42 62 80 76 128 102 0.983 29.68 355.0 78 100 98 100 158 445.7 30.021 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7637 1571.8 8.0 scans 69% 123 m/z (85) 0.064% 0.158% 4384 1.1 308 605111 12191478 11110197 0-4 16: 123 43 135 124 107 95 79 109 77 81 97 93 67 125 53 193 0.965 29.77 357.8 77 98 97 99 193 24.2 0.618 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9420 1578.5 8.9 scans 54% 71 m/z (84) 0.42% 0.0674% 4413 0.8 181 91297 5179526 4776913 2-2 13: 71 85 57 43 113 127 155 99 70 169 56 72 154 0.929 29.94 362.1 74 98 94 99 254 5.1 0.079 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9455 1578.7 >10 scans 66% TIC 0.40% 0.0532% 4414 0.0 201 96974 0.0929% 4094342 3926197 7139042 1-0 0.910 30.38 -16.2 74 77 86 78 212 2.1 0.000 -0.432 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5034 1600.2 7.8 scans 79% 191 m/z 0.050% 0.178% 4509 1.1 341 780254 13723280 12714821 2-4 19: 191 206 192 57 163 74 175 115 91 41 88 73 107 147 207 128 77 161 133 0.952 30.50 375.4 80 99 94 99 206 93.0 7.434 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8835 1616.2 9.7 scans 38% 161 m/z (123) 0.97% 0.0354% 4573 1.0 134 40031 2726419 2567123 1-3 16: 161 105 147 134 119 81 133 189 79 70 78 195 163 112 115 92 0.664 30.88 0.2 90 95 68 94 204 28.9 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9225 1617.8 8.8 scans 30% 171 m/z (202) 0.55% 0.0231% 4580 1.1 109 70307 1775645 1536669 3-9 5: 171 172 156 173 170 0.926 30.93 -0.2 95 98 88 98 171 69.5 40.452 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2017 1629.6 9.1 scans 74% 111 m/z 0.079% 0.310% 4627 0.8 416 494052 23824863 21607367 3-2 20: 111 109 137 43 67 180 110 95 124 152 41 79 77 81 39 112 69 53 93 65 0.976 31.18 394.6 78 98 96 98 180 91.1 4.787 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2017 1629.6 9.1 scans 76% 111 m/z (85) 0.078% 0.345% 4627 0.8 423 495869 26569820 24096838 3-2 20: 111 109 137 43 67 180 110 95 124 152 41 79 77 81 39 112 69 53 93 65 0.883 31.20 394.2 72 98 91 98 180 91.4 4.664 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 8.7 scans 48% 43 m/z (93) 0.65% 0.0296% 4679 1.1 129 60110 2280059 2195433 1-1 19: 43 98 111 166 127 105 55 151 85 82 41 58 68 81 83 123 126 107 59 0.880 31.52 -0.3 89 96 85 95 166 27.0 4.359 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6439 1648.1 7.6 scans 26% 73 m/z (119) 1.7% 0.0154% 4702 1.1 98 22549 1185797 1115636 1-2 19: 73 341 237 429 430 239 342 223 325 183 147 197 343 196 238 74 211 152 355 0.389 31.63 0.4 60 65 14 89 429 20.4 4.332 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9213 1659.8 7.7 scans 37% 83 m/z (143) 1.3% 0.0162% 4749 1.1 103 29950 1252332 1141502 4-1 3: 83 82 155 0.916 31.92 0.1 76 84 87 84 219 5.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0813 1666.5 6.9 scans 41% 221 m/z (161) 0.90% 0.0176% 4776 1.0 111 43435 1357326 1275141 3-3 18: 221 73 147 295 207 222 341 355 223 148 281 325 297 267 356 265 343 326 0.856 32.08 0.1 95 99 89 99 355 20.0 3.210 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2354 1673.0 8.7 scans 15% TIC 1.1% 0.00554% 4802 1.1 81 33354 0.0106% 425823 425823 814573 0-0 0.289 32.24 -0.1 82 89 29 84 226 6.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4402 1681.6 8.3 scans 63% 57 m/z (159) 0.46% 0.0574% 4837 1.0 179 84401 4415191 4008436 2-2 18: 57 71 85 43 56 41 55 196 99 113 70 197 127 83 141 111 168 42 0.954 32.44 -0.1 85 89 90 89 226 7.2 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5648 1686.8 7.6 scans 18% 71 m/z (182) 3.4% 0.00520% 4858 1.2 58 11484 399614 364920 0-1 12: 71 57 85 99 113 43 169 72 112 70 122 42 0.892 24.54 549.5 62 89 78 88 169 9.9 2.896 8.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6716 1691.3 8.7 scans 67% 205 m/z (171) 1.2% 0.0872% 4876 1.0 220 31443 6705253 6160120 2-3 19: 205 119 105 91 43 93 162 159 107 79 147 123 121 41 131 135 106 120 133 0.965 32.67 -0.2 94 96 93 98 220 12.9 0.346 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1208 Hydrocarbon 32.9min RI1700 32.8641 1699.4 7.5 scans 32% 70 m/z (149) 0.54% 0.0274% 4909 1.3 129 72408 2113023 1968307 2-4 4: 70 201 195 224 0.805 32.87 -0.1 80 89 70 90 186 9.7 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9290 1702.1 19.0 scans 62% TIC 0.16% 0.0485% 4920 0.8 185 232533 0.0850% 3729386 3453459 6531954 0-8 0.953 32.93 -0.2 95 95 88 99 243 28.1 2.307 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0878 1708.8 7.7 scans 46% 97 m/z (124) 1.9% 0.0250% 4946 1.1 125 19662 1926404 1752780 2-4 19: 97 83 55 69 111 57 41 43 56 84 82 112 98 42 85 68 125 96 54 0.896 33.09 0.1 90 92 95 99 224 6.9 0.305 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.8 scans 67% 57 m/z (184) 0.33% 0.0651% 4984 0.8 200 116310 0.0796% 5009184 4759094 6116983 0-1 20: 57 71 43 85 41 56 55 99 70 226 42 98 113 69 112 84 140 72 58 97 0.972 33.37 -2.7 91 95 95 96 226 23.8 1.409 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2726 1733.7 8.0 scans 46% 57 m/z (173) 0.61% 0.0368% 5147 0.8 148 63605 2830421 2586266 1-1 12: 57 71 85 43 41 211 98 210 182 127 212 119 0.873 34.27 0.1 92 97 94 98 211 27.3 3.392 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3871 1735.3 7.5 scans 89% 73 m/z 0.049% 0.450% 5167 0.9 553 786606 34644000 32585672 2-2 20: 73 355 147 221 356 281 401 357 282 415 222 402 327 74 267 207 148 403 283 385 0.973 34.39 452.3 80 100 97 100 415 65.5 1.403 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7750 1740.9 12.1 scans 86% 91 m/z 0.037% 0.608% 5232 0.3 511 1044535 46795888 45190729 2-1 20: 91 155 199 90 65 184 44 92 89 120 137 63 77 39 106 64 156 51 200 109 0.982 34.79 451.9 80 99 98 99 199 144.6 7.998 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9031 1742.7 8.3 scans 43% 68 m/z (71) 0.71% 0.0495% 5254 1.3 165 54438 3809505 3411025 3-4 5: 68 69 97 54 110 0.908 34.90 -0.0 95 99 98 99 224 20.7 1.570 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 35.1150 1745.7 12.4 scans 36% TIC 0.55% 0.0308% 5290 1.6 133 70670 0.0433% 2367938 2152824 3327454 0-2 0.566 33.90 17.4 81 93 55 87 197 24.3 0.000 1.219 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6841 1753.9 8.5 scans 45% 123 m/z (41) 0.31% 0.0561% 5387 1.0 175 123492 4312754 3925068 2-3 14: 123 193 124 149 109 165 79 175 91 93 121 131 166 179 0.913 35.70 451.2 72 96 86 96 224 18.4 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9261 1757.3 9.2 scans 51% 91 m/z (161) 0.52% 0.0791% 5427 1.2 201 74426 6083391 5522781 1-4 13: 91 155 184 159 148 65 105 220 92 199 93 107 44 0.923 35.94 450.9 71 96 86 96 238 7.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5472 1766.2 6.8 scans 37% 221 m/z 0.43% 0.0377% 5532 0.9 168 89355 2903691 2699200 3-2 19: 221 73 147 295 281 369 223 296 341 208 282 355 148 327 297 74 342 370 209 0.739 36.58 449.7 76 98 77 97 369 29.6 3.100 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1989 1775.5 8.2 scans 20% 209 m/z 0.73% 0.0148% 5643 1.0 97 52923 1140827 1057255 3-3 12: 209 224 181 165 210 167 166 178 119 103 225 102 0.681 37.20 449.2 73 96 64 95 224 36.6 14.158 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.3057 1777.1 9.9 scans 53% 85 m/z (91) 0.79% 0.0538% 5661 1.3 160 49455 4134825 3726154 1-2 19: 85 57 71 43 99 84 41 55 113 69 211 56 127 141 224 169 97 155 96 0.925 38.91 -22.9 78 84 91 83 254 2.1 0.000 -1.604 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0543 1787.8 8.0 scans 65% 57 m/z 0.32% 0.0585% 5788 1.1 206 119386 4498109 4276509 1-2 19: 57 71 85 43 56 225 41 99 55 239 224 113 141 70 69 127 98 155 83 0.916 38.06 448.1 77 97 91 96 225 40.6 3.871 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.6021 1795.6 8.3 scans 85% 73 m/z 0.075% 0.297% 5881 1.0 424 521186 22837398 21934424 1-7 20: 73 147 429 221 355 430 281 341 431 207 356 222 357 74 148 342 267 295 432 282 0.966 38.59 447.5 80 100 95 99 429 124.6 8.623 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8064 1798.5 10.1 scans 46% 71 m/z (83) 0.58% 0.0516% 5915 1.3 160 67022 3971130 3721862 1-1 20: 71 57 85 127 43 55 126 41 99 69 113 128 84 240 141 67 155 97 86 70 0.775 36.21 -52.4 68 93 87 90 240 17.2 0.000 2.595 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4539 1867.4 8.9 scans 49% 74 m/z 0.41% 0.0415% 6025 1.3 154 94201 3189513 2902077 2-4 13: 74 87 225 143 75 213 256 41 59 101 88 129 157 0.789 39.45 505.9 69 92 74 90 256 26.3 2.914 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.9888 1933.7 >20 scans 95% 95 m/z 0.010% 11.7% 6116 0.1 1814 3703859 903912503 829160048 1-5 20: 95 68 82 81 55 67 43 41 69 57 83 97 109 96 71 79 137 53 56 70 1.000 39.94 564.6 81 100 100 100 278 124.8 0.474 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 40.0177 1937.3 >4 scans 43% 58 m/z 0.18% 0.0599% 6120 2.6 285 209096 4605917 4194867 0-9 20: 58 59 43 71 110 250 109 165 85 113 210 70 125 124 126 56 253 251 72 225 0.838 39.98 567.6 69 89 88 96 268 12.2 0.183 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 40.2279 1963.4 8.8 scans 33% 159 m/z 1.2% 0.0198% 6156 1.0 114 30295 1524076 1441906 1-2 18: 159 119 105 161 91 120 160 93 162 145 81 146 121 77 106 134 272 131 0.746 39.14 606.7 73 94 67 93 272 14.5 0.000 1.087 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2285 1963.5 >10 scans 46% TIC 1.2% 0.0143% 6156 1.1 134 32099 1105986 1052322 1-0 0.863 40.24 589.6 77 98 82 96 272 15.3 1.302 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3577 1979.5 7.6 scans 25% 149 m/z 0.20% 0.0272% 6178 1.0 133 191406 2090361 1857439 2-6 6: 149 237 150 104 76 205 0.731 40.31 604.6 69 93 74 93 223 31.7 5.645 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1110 Phytol 40.4280 1988.2 7.7 scans 91% 81 m/z (181) 0.053% 0.960% 6190 0.7 769 733998 73782918 66732191 2-9 20: 81 82 95 68 123 57 43 69 83 79 55 67 41 71 124 96 97 109 110 111 0.998 40.66 -29.0 94 97 98 97 278 88.7 1.333 -0.234 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6051 2010.2 >8 scans 61% TIC 0.37% 0.0339% 6220 1.0 201 104192 0.100% 2610799 2455112 7684652 1-0 0.936 40.63 630.1 75 94 94 99 369 32.9 2.689 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1254 Phytol 40.8713 2043.2 8.4 scans 83% 82 m/z (161) 0.19% 0.242% 6265 1.3 368 202992 18602443 17624900 1-3 19: 82 81 95 123 68 57 43 67 96 79 71 41 55 69 83 109 278 124 85 0.986 40.87 0.5 97 99 98 99 278 51.4 1.945 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.3011 2096.4 9.7 scans 91% 79 m/z 0.020% 2.26% 6338 0.4 1100 1933411 173800084 161300813 2-3 20: 79 93 67 95 80 91 121 108 55 81 41 77 94 107 135 87 59 78 105 122 0.977 41.26 5.4 97 96 94 99 264 84.9 0.596 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4652 2116.8 8.8 scans 37% 205 m/z 0.77% 0.0584% 6365 1.0 191 50225 4490919 4010981 1-2 19: 205 217 55 175 220 189 232 177 41 91 191 84 161 203 115 192 165 133 219 0.570 41.49 -79.8 81 99 73 98 276 14.0 0.543 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5921 2125.1 >9 scans 57% TIC 0.57% 0.0547% 6387 1.0 203 67664 0.103% 4207142 3994214 7915192 2-0 0.920 41.76 727.4 74 94 85 96 272 53.1 6.813 -0.169 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1008 ?? UNK diterpene 41.87min 41.7627 2134.7 8.0 scans 20% 109 m/z (57) 4.9% 0.00961% 6416 1.2 79 7851 738748 700988 1-1 19: 109 105 110 129 190 81 161 201 159 117 91 147 272 133 202 145 203 189 94 0.573 41.87 735.3 66 97 73 95 272 20.3 6.629 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.7627 2134.7 8.0 scans 21% 109 m/z (98) 5.1% 0.00987% 6416 1.2 80 7594 758451 719683 1-1 19: 109 105 110 129 190 81 161 201 159 117 91 147 272 133 202 145 203 189 94 0.549 42.05 -15.9 65 78 62 77 272 20.3 6.443 -0.282 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0532 2151.0 10.2 scans 96% TIC 0.0093% 3.03% 6465 0.4 1243 4185111 233326431 226215076 2-1 0.998 42.01 749.0 80 99 99 99 272 32.6 0.069 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3418 2167.2 7.5 scans 71% 73 m/z 0.24% 0.0832% 6514 1.1 236 160495 6400806 5918426 2-6 20: 73 147 281 221 355 429 503 341 207 282 504 356 430 415 222 148 283 505 74 461 0.942 42.37 758.2 74 94 92 98 503 40.0 2.891 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9983 2204.1 8.1 scans 57% 82 m/z (171) 0.27% 0.0472% 6625 0.9 168 144470 3631221 3433014 2-2 10: 82 95 81 292 109 96 94 137 53 138 0.932 43.03 782.0 66 93 89 92 292 21.2 1.578 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1724 2213.8 8.0 scans 32% 187 m/z (72) 1.5% 0.0194% 6655 1.0 106 25309 1495428 1310467 5-1 18: 187 272 161 134 119 105 159 91 162 257 163 234 190 189 121 273 160 93 0.768 43.24 -3.6 94 99 82 98 272 26.6 6.279 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2911 2220.5 10.1 scans 10% 263 m/z (264) 3.0% 0.00392% 6675 1.2 43 12701 301767 267518 1-1 13: 263 199 186 142 185 161 279 187 155 131 129 110 257 0.399 43.31 -0.9 75 86 30 81 278 14.4 11.360 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2905 2277.1 7.1 scans 54% 221 m/z 0.61% 0.0298% 6844 1.0 148 63593 2297036 2217677 1-1 20: 221 73 147 295 281 207 222 369 296 355 223 370 282 205 148 208 74 297 283 267 0.866 44.32 829.8 76 97 91 99 369 27.7 3.499 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1601 2327.1 9.0 scans 44% TIC 1.3% 0.0374% 6992 1.0 154 28175 2874122 2720486 2-1 0.584 44.90 14.9 87 92 59 88 272 12.9 0.703 0.259 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7882 2363.3 7.8 scans 73% 73 m/z (327) 0.36% 0.0654% 7098 1.0 200 107926 5026502 4731930 2-2 20: 73 355 147 221 281 356 207 429 341 148 295 415 74 357 206 223 401 358 504 430 0.925 45.78 0.7 97 99 92 98 503 18.8 0.879 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9440 2372.3 15.0 scans 17% 87 m/z (67) 0.83% 0.0347% 7124 1.9 114 46728 2668201 2549583 2-1 10: 87 255 298 199 75 299 200 256 241 88 0.715 45.92 893.6 70 98 72 95 298 21.2 3.463 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1524 2384.2 10.4 scans 81% 79 m/z (33) 0.020% 2.47% 7160 0.5 1098 1952274 190537003 183119337 2-2 20: 79 67 95 93 108 81 80 91 107 94 77 121 135 149 78 122 105 136 53 65 0.906 46.13 1.0 93 95 89 98 292 87.7 0.637 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7605 2419.2 8.4 scans 77% TIC 0.20% 0.103% 7263 1.4 249 190308 7928405 7220186 3-4 0.917 46.76 924.1 77 97 90 97 298 47.2 3.609 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5002 2461.8 10.3 scans 20% TIC 1.8% 0.00545% 7388 1.3 65 20853 0.00663% 419037 385640 509492 0-2 0.428 47.50 949.0 73 96 49 94 168 11.4 3.028 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9282 2544.0 7.9 scans 76% TIC 0.47% 0.0441% 7630 1.3 172 82790 3391709 3098329 2-3 0.904 48.95 993.6 73 93 92 99 429 47.0 7.473 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8503 2712.1 8.5 scans 57% 73 m/z 0.83% 0.0258% 8124 1.3 123 46914 1985396 1881893 2-5 19: 73 147 221 355 281 430 356 207 415 429 431 282 74 358 325 504 267 401 327 0.795 51.86 1081.2 76 99 81 97 503 18.3 2.220 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1747 772.9 >26 scans 39% 77 m/z (43) 0.48% 0.0407% 49 2.2 81 76954 2601726 2507172 1-0 5: 77 59 46 72 76 0.961 4.37 18.9 94 98 94 98 77 71.7 78.582 -0.196 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5886 835.8 18.2 scans 69% 207 m/z 0.29% 0.0588% 458 2.4 122 126685 3761581 3405554 2-2 20: 207 208 96 133 87 163 177 165 193 192 194 103 211 161 178 179 164 117 176 131 0.844 6.53 -141.0 80 100 88 100 207 92.0 57.106 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6854 864.3 9.8 scans 93% 69 m/z (67) 0.10% 0.602% 643 2.2 439 342035 38466246 35254060 2-2 20: 69 55 41 83 39 42 57 98 70 97 43 56 80 53 79 40 54 68 51 38 0.995 7.71 9.0 99 100 100 100 98 87.3 3.950 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKSTART-N1002 ? Contamination 12.22min 12.2994 984.5 >14 scans 28% 265 m/z (283) 1.5% 0.00804% 1425 15.3 69 23880 0.0696% 513742 513742 4446901 0-0 15: 265 207 266 203 249 284 267 118 251 193 195 250 189 235 135 0.715 12.22 38.2 78 87 47 92 281 40.0 33.433 0.079 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1022 ?? Octanal 12.9352 1001.1 9.1 scans 38% 56 m/z (109) 2.0% 0.0280% 1533 1.6 102 18207 1790888 1588371 6-3 11: 56 57 84 41 44 69 100 68 42 85 95 0.797 12.96 -173.7 62 88 75 88 110 10.6 1.077 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2422 1009.4 13.4 scans 74% 81 m/z (59) 0.40% 0.0609% 1585 2.2 127 92110 3893446 3383113 2-3 19: 81 53 41 67 79 39 62 68 65 110 82 77 55 66 38 50 40 109 54 0.932 13.22 45.8 89 97 95 99 110 34.4 7.382 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1016 Limonene 13.9069 1027.4 8.7 scans 75% TIC 0.59% 0.0576% 1697 1.3 169 63334 3681032 3323032 2-1 0.907 13.89 52.1 89 99 93 99 136 33.4 3.926 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0993 1032.6 >21 scans 78% 67 m/z 0.22% 0.193% 1730 0.2 229 168803 12394171 11597347 1-0 6: 67 106 52 95 76 37 0.977 14.11 53.6 92 100 98 100 108 102.0 19.836 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4600 1042.4 11.5 scans 85% 91 m/z 0.041% 0.392% 1791 1.7 355 914292 25081578 22235435 2-3 20: 91 92 120 65 63 89 39 51 62 50 90 121 64 93 38 74 66 61 86 52 0.988 14.44 57.6 91 100 99 100 120 116.6 10.784 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0197 1057.5 8.7 scans 34% 55 m/z (138) 7.3% 0.00530% 1886 1.2 49 5092 339136 329928 0-2 13: 55 70 83 69 57 39 41 97 84 98 93 67 56 0.755 18.83 4.8 75 83 75 82 122 0.0 0.000 -3.810 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1850 1062.0 >12 scans 86% TIC 0.095% 0.190% 1914 1.0 272 393426 12181140 11507743 2-0 0.973 15.17 64.6 89 100 99 100 123 93.8 11.906 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN 98-86-2 ? Acetophenone 15.2717 1064.4 13.9 scans 67% TIC 0.088% 0.211% 1929 1.2 283 427319 0.294% 13508838 12477640 18784322 0-3 0.954 15.29 -181.3 79 99 96 99 120 95.9 11.468 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2965 1065.0 22.2 scans 12% 109 m/z (105) 0.61% 0.0513% 1933 0.4 106 61034 3280909 3075285 1-2 6: 109 94 66 85 64 80 0.847 16.11 -205.2 75 99 90 98 109 60.2 32.448 -0.812 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4335 1068.7 7.5 scans 32% TIC 0.54% 0.0107% 1956 1.1 115 69369 685198 662745 1-0 0.708 15.43 67.0 80 97 75 96 124 39.1 11.457 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1002 Undecane 16.6094 1100.9 8.0 scans 58% 57 m/z (46) 1.5% 0.0151% 2155 1.3 86 24249 968341 912030 1-0 14: 57 43 71 85 41 99 70 56 112 156 98 127 69 68 0.918 16.59 0.9 95 99 95 98 156 11.3 1.731 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1016 Nonanal 16.7859 1108.4 8.7 scans 85% 57 m/z 0.17% 0.255% 2185 1.4 334 209249 16295309 14757584 7-3 20: 57 41 56 43 55 98 70 69 44 82 68 95 96 81 67 39 42 71 54 83 0.958 16.82 86.0 81 98 95 97 124 18.4 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9742 1116.4 11.5 scans 31% 71 m/z (126) 1.1% 0.0219% 2217 1.6 87 32394 1401135 1387383 0-3 8: 71 95 110 128 72 129 113 96 0.853 16.97 91.7 72 97 85 96 128 23.3 7.183 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.1850 1125.3 10.3 scans 90% 91 m/z 0.047% 0.358% 2253 0.8 369 788029 22887635 20211873 3-4 20: 91 92 122 65 63 51 39 77 78 89 103 93 123 104 50 90 64 62 52 66 0.995 17.05 99.3 80 99 97 100 122 124.2 11.361 0.133 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0965 1163.8 10.5 scans 60% 73 m/z 0.51% 0.0447% 2407 1.5 133 72459 2857971 2693092 2-2 19: 73 355 356 267 357 268 253 358 251 249 325 162 359 193 74 75 154 86 235 0.832 18.13 -167.9 78 99 83 98 355 60.1 20.267 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 18.4731 1179.7 8.9 scans 12% 281 m/z (81 151) 11% 0.00136% 2471 1.2 23 3407 87444 75083 1-3 5: 281 282 283 127 73 0.613 12.25 26.6 73 87 34 91 281 15.1 41.874 6.222 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN M4942-N1002 ? Pyranone 18.6933 1189.0 15.2 scans 68% TIC 0.21% 0.175% 2508 0.8 236 176841 11186844 10750764 2-1 0.890 20.04 -201.5 78 98 87 98 144 106.0 20.161 -1.349 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1012 ?? Nicotine 19.7033 1231.6 11.3 scans 4.1% 133 m/z 6.0% 0.00108% 2679 2.0 20 6211 69152 59734 1-1 4: 133 105 104 103 0.452 25.78 76.3 63 100 100 100 162 0.0 0.000 -6.075 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.7718 1234.5 11.8 scans 48% 119 m/z (86) 0.34% 0.0544% 2691 1.0 135 108149 3478211 3182974 3-7 8: 119 91 134 65 63 92 135 50 0.936 13.76 35.0 76 82 72 83 134 48.4 12.750 6.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8757 1238.9 8.9 scans 75% 57 m/z 0.14% 0.164% 2708 0.5 258 251943 10497359 9485208 2-4 20: 57 45 41 75 87 56 89 72 100 59 101 85 43 60 71 73 44 55 58 132 0.877 19.81 171.4 75 97 91 98 144 6.1 0.000 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1004 ? Dodecane 20.3214 1257.7 9.2 scans 26% 57 m/z (95) 3.5% 0.00750% 2784 1.2 56 10693 479664 415148 2-1 13: 57 43 71 85 84 56 58 72 41 125 98 112 66 0.734 20.32 0.0 76 89 74 86 170 7.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5280 1263.9 8.4 scans 86% 57 m/z 0.35% 0.159% 2819 1.1 278 106161 10161760 9192224 6-3 20: 57 41 43 55 70 82 71 68 56 83 81 67 44 112 69 95 96 42 84 110 0.969 16.82 -27.5 70 71 82 73 124 2.2 0.000 3.713 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9944 1277.9 8.9 scans 59% 137 m/z 0.95% 0.0436% 2898 1.0 146 39306 2787988 2663217 1-2 18: 137 152 109 91 123 77 67 81 79 39 41 55 138 119 153 92 78 51 0.702 21.00 192.6 70 91 66 90 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.1632 1283.0 9.5 scans 51% 94 m/z (121) 0.47% 0.0314% 2926 1.4 109 79528 2009773 1813364 2-3 6: 94 138 95 66 107 139 0.950 20.98 198.0 74 96 89 98 152 1.8 0.000 0.180 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 21.3840 1289.6 >17 scans 49% 285 m/z (115) 2.3% 0.0247% 2964 1.3 77 16159 1581771 1373398 2-2 12: 285 55 101 53 82 45 39 119 71 56 67 98 0.816 22.03 -19.5 68 76 65 79 175 0.0 0.000 -0.650 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8463 1363.5 8.9 scans 49% 57 m/z (79) 1.8% 0.0176% 3381 1.1 85 20591 1130118 1053267 1-2 14: 57 71 43 85 41 69 105 55 70 184 56 98 84 83 0.736 23.86 -0.5 86 93 88 95 184 9.6 1.277 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1002 Contamination 24.17min 24.1220 1372.7 7.7 scans 77% TIC 0.27% 0.0718% 3428 0.8 200 137756 4593040 4227763 3-2 0.935 24.17 -151.1 80 99 91 99 429 62.0 9.598 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 24.4236 1382.8 13.5 scans 64% 57 m/z 0.74% 0.0715% 3479 0.9 150 50183 4568590 4096972 3-3 19: 57 115 55 93 69 60 61 39 80 41 91 97 45 83 70 68 67 74 56 0.868 22.70 -92.5 75 96 91 98 158 10.0 0.000 1.728 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5901 1388.3 8.5 scans 48% 71 m/z 1.5% 0.0129% 3507 1.3 85 24834 827377 774159 2-1 17: 71 57 85 43 127 113 70 55 99 126 155 72 56 42 112 169 58 0.791 24.54 251.0 74 99 83 96 169 10.2 0.000 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.9390 1400.0 11.2 scans 52% 83 m/z (136) 1.1% 0.0332% 3567 1.1 105 34178 2122907 1935342 4-1 11: 83 113 142 82 93 111 39 58 177 108 128 0.778 24.70 260.4 63 88 84 97 170 3.1 0.000 0.243 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1004 Nicotine 25.6444 1423.5 >22 scans 96% TIC 0.0051% 14.0% 3686 0.1 1695 7348428 900094257 884206329 0-1 0.999 25.89 266.5 80 99 99 99 162 498.1 8.637 -0.248 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N406_R~1-N1090 ?? UNK 42.45min 25.8015 1428.8 8.0 scans 22% 159 m/z (85) 1.2% 0.0131% 3712 0.9 80 31201 840479 786201 2-2 8: 159 174 128 160 136 131 175 146 0.577 42.45 18.2 65 73 58 72 272 0.0 0.000 -16.645 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1155 1472.7 6.2 scans 26% 281 m/z (119) 2.9% 0.00462% 3934 1.0 54 12828 295224 278452 0-2 15: 281 223 178 267 443 283 148 191 268 205 207 269 115 249 356 0.584 27.12 297.8 71 95 59 94 355 12.1 5.053 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1693 1474.5 7.9 scans 72% 57 m/z (119) 0.51% 0.0449% 3944 1.2 147 73591 0.0717% 2870089 2638989 4581075 2-0 18: 57 71 43 85 41 56 70 55 99 198 69 113 98 155 112 42 86 127 0.976 27.21 -1.3 95 98 96 97 198 18.5 1.573 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1032 Myosmine 27.9184 1502.5 9.2 scans 81% 118 m/z 0.12% 0.183% 4071 1.4 286 310826 11727533 10794077 2-5 20: 118 146 145 105 78 59 51 119 147 104 117 65 91 63 42 77 41 39 64 90 0.967 27.93 315.8 80 99 95 99 146 125.8 19.406 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3853 1520.0 8.3 scans 67% 80 m/z 0.24% 0.0512% 4150 0.9 162 151022 3274226 3096227 2-2 17: 80 171 104 53 78 172 170 77 91 81 51 65 103 167 105 128 168 0.934 28.39 326.6 76 97 90 96 171 73.8 20.780 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6634 1530.5 7.8 scans 90% TIC 0.043% 0.511% 4197 0.9 525 867838 32651369 30993255 2-2 0.974 28.67 333.1 80 99 97 99 194 33.5 0.407 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0925 1546.6 7.7 scans 74% 71 m/z (166) 0.22% 0.133% 4270 1.2 255 165211 0.170% 8555499 7743730 10861683 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 183 84 97 69 42 140 72 39 0.973 29.10 342.7 73 95 95 97 227 5.5 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5306 1563.1 >8 scans 72% TIC 0.25% 0.130% 4344 0.9 274 148047 8332405 7113157 7-1 0.906 29.61 -150.0 77 96 67 99 503 40.3 2.167 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1022 Nicotyrine 29.6392 1567.2 10.9 scans 77% 158 m/z 0.015% 1.28% 4362 0.7 694 2358201 81923065 75350899 3-4 20: 158 157 130 159 116 117 89 156 63 90 104 143 131 78 142 51 42 62 102 76 0.913 29.68 354.6 80 99 89 99 158 397.0 32.701 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1044 ? b-Ionone 29.6622 1568.0 6.6 scans 23% 177 m/z (113) 0.058% 0.214% 4366 0.9 350 638811 13710383 12320407 6-1 18: 177 43 178 135 91 93 121 107 149 122 133 192 95 109 162 136 69 71 0.254 29.68 355.5 70 99 40 93 192 47.1 1.806 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7567 1571.6 7.8 scans 60% 123 m/z (126) 0.091% 0.105% 4382 0.9 232 412528 6729911 6382646 1-2 6: 123 135 124 109 125 193 0.979 29.77 357.6 76 98 96 98 193 19.2 0.686 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8387 1574.7 8.4 scans 21% 105 m/z (167) 1.1% 0.0155% 4396 1.0 90 32307 0.0310% 992436 992436 1980660 0-0 13: 105 161 93 107 133 94 106 119 147 148 204 80 145 0.832 29.85 359.6 69 93 70 92 204 16.8 3.488 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9367 1578.3 9.0 scans 61% 71 m/z 0.17% 0.149% 4413 0.7 256 210483 9573917 8982141 1-2 20: 71 85 57 43 99 113 55 41 69 127 155 84 70 56 169 126 86 42 72 100 0.815 29.94 361.9 76 98 84 96 254 7.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1658 1587.0 8.5 scans 57% TIC 0.61% 0.0294% 4452 1.1 151 60920 1883784 1797562 1-0 0.917 30.38 -7.9 80 83 87 82 212 0.0 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4928 1599.8 8.1 scans 71% 191 m/z 0.077% 0.126% 4507 1.0 257 486459 8060356 7586833 1-7 19: 191 206 192 57 163 115 74 175 91 73 207 107 147 77 128 161 193 131 135 0.921 30.50 375.0 79 99 90 98 206 72.5 7.943 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8092 1613.1 8.2 scans 27% 124 m/z (71) 1.3% 0.0173% 4560 1.0 91 28922 1109260 1053345 1-2 4: 124 137 180 138 0.877 30.81 383.7 74 97 91 99 180 24.5 7.257 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8706 1615.6 12.3 scans 31% TIC 0.71% 0.0195% 4571 1.2 113 52892 0.0265% 1252201 1252201 1693145 0-0 0.511 30.88 -0.4 89 92 44 89 204 13.5 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9196 1617.7 9.1 scans 25% 171 m/z (204) 0.93% 0.0161% 4579 1.5 82 40185 0.0168% 1030151 985135 1073390 1-0 6: 171 172 156 142 181 173 0.919 30.93 -0.3 93 97 85 97 171 51.8 39.669 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1859 1628.9 9.2 scans 71% 111 m/z 0.11% 0.254% 4624 0.9 341 332078 16287462 15184122 2-1 20: 111 109 137 43 67 180 110 124 95 152 41 79 77 39 81 69 71 112 85 57 0.889 31.18 393.9 79 100 97 100 180 74.1 4.730 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5088 1642.5 10.1 scans 62% 43 m/z (143) 0.66% 0.0466% 4679 1.4 138 56156 2983398 2887968 1-1 20: 43 98 85 71 57 55 111 127 123 106 59 41 99 126 67 83 69 151 39 68 0.918 31.52 -0.2 90 94 90 96 166 22.9 2.738 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6268 1647.4 7.9 scans 48% 71 m/z (327) 1.1% 0.0302% 4699 1.4 121 33432 1934297 1860433 1-2 20: 71 57 85 43 99 237 169 113 84 69 55 127 73 125 41 325 70 155 111 267 0.779 31.63 -0.3 70 93 78 88 429 11.5 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7851 1654.1 8.4 scans 16% 193 m/z (178) 2.9% 0.00614% 4725 0.8 53 12711 392713 364852 2-2 6: 193 208 194 152 175 167 0.566 31.80 -0.4 65 79 47 81 208 10.4 3.812 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9161 1659.6 8.2 scans 50% 71 m/z (184 75) 1.4% 0.0296% 4748 0.5 112 25495 1897147 1754313 1-1 18: 71 57 83 85 82 55 43 69 99 113 70 41 84 155 112 68 97 56 0.930 31.92 -0.1 80 89 92 90 219 5.3 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0743 1666.2 6.6 scans 28% 221 m/z (149) 1.8% 0.00953% 4775 1.0 73 19864 609180 539237 6-8 18: 221 73 147 295 222 207 281 355 223 429 341 356 296 208 342 267 325 297 0.796 32.08 -0.2 92 97 83 97 355 13.7 3.521 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2308 1672.8 8.7 scans 53% 57 m/z (192) 0.70% 0.0414% 4801 1.6 131 53607 0.0468% 2649503 2594285 2990157 2-3 17: 57 71 43 85 41 183 99 56 55 113 184 149 42 141 226 100 136 0.859 32.24 -0.3 86 95 83 92 226 7.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4468 1681.9 9.9 scans 50% 41 m/z (98) 0.96% 0.0382% 4837 0.9 119 39161 2443738 2242603 2-1 15: 41 105 99 113 168 72 70 82 155 169 198 104 165 103 100 0.849 32.44 0.2 88 96 83 93 226 4.5 0.140 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6699 1691.3 8.7 scans 50% 205 m/z (128) 3.0% 0.0298% 4875 0.9 117 12306 1904633 1787100 1-3 7: 205 162 159 202 146 145 120 0.908 32.67 -0.2 93 97 88 96 220 7.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8612 1699.3 7.4 scans 17% 70 m/z (149) 1.4% 0.00936% 4908 1.6 69 25163 0.0122% 598193 556765 779485 2-0 4: 70 216 131 148 0.760 32.87 -0.2 73 83 62 82 186 6.6 0.916 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9303 1702.2 7.7 scans 74% 71 m/z 0.086% 0.109% 4920 0.8 244 436614 7014666 6560548 6-2 14: 71 43 159 111 243 56 155 72 173 143 98 89 73 244 0.936 32.93 -0.1 94 94 89 98 243 38.6 2.497 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0844 1708.7 7.4 scans 43% 83 m/z (179) 2.9% 0.0161% 4946 1.1 94 12841 1033456 982514 1-0 19: 83 97 55 57 69 41 111 70 56 43 84 85 151 82 109 67 98 54 112 0.890 33.09 -0.0 88 96 94 97 224 6.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3046 1717.9 7.3 scans 76% 57 m/z (183) 0.31% 0.0757% 4983 0.8 198 119752 4836805 4530472 4-1 19: 57 71 43 85 41 55 99 56 70 113 226 84 69 42 141 98 83 169 112 0.979 33.37 -2.9 95 98 97 98 226 23.0 1.350 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2697 1733.6 8.4 scans 27% 57 m/z (91) 1.9% 0.00965% 5147 0.8 68 19474 616856 561177 1-2 13: 57 71 85 211 98 182 127 58 113 183 141 70 138 0.924 34.27 0.0 83 88 75 86 211 14.2 4.379 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3813 1735.2 8.4 scans 95% 355 m/z 0.014% 2.23% 5166 0.8 1050 2619578 142746108 134150057 2-2 20: 355 73 221 147 281 356 401 357 282 222 327 267 403 207 74 148 358 223 385 416 0.994 34.39 452.2 81 100 99 100 415 128.5 1.498 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7373 1740.3 10.6 scans 84% TIC 0.062% 0.356% 5226 0.5 371 597856 22805309 21173495 1-2 0.946 34.79 451.3 80 99 93 99 199 106.5 8.240 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8961 1742.6 7.9 scans 34% 68 m/z (71) 1.6% 0.0228% 5253 1.3 104 23091 1462125 1367839 2-4 1: 68 0.884 34.90 -0.1 90 96 94 99 224 13.6 1.715 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 35.1098 1745.6 19.5 scans 33% 57 m/z (169) 1.4% 0.0210% 5289 1.2 101 26490 0.0662% 1343890 1343890 4229667 0-0 20: 57 43 85 71 197 83 41 99 56 97 55 42 113 70 132 209 196 211 225 72 0.864 33.90 17.3 78 86 87 90 197 18.7 3.403 1.214 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9321 1757.4 >10 scans 52% TIC 1.0% 0.0306% 5428 0.8 150 34834 0.0596% 1959148 1908476 3807978 1-0 0.804 35.94 451.0 63 89 62 88 238 7.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1978 1775.5 8.5 scans 40% 209 m/z (71) 0.59% 0.0336% 5643 0.9 125 62920 2151258 1972340 3-2 19: 209 224 181 210 165 167 178 77 151 166 103 225 179 183 193 176 152 119 115 0.887 37.20 449.2 75 97 90 99 224 39.7 10.087 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 8.5 scans 64% 57 m/z (109) 0.63% 0.0484% 5788 1.0 149 58940 3097934 2899900 1-2 20: 57 71 85 43 56 225 41 99 55 113 69 127 70 226 169 197 97 84 83 155 0.950 38.06 448.1 75 99 96 98 225 27.9 3.489 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5750 1795.2 9.5 scans 93% 73 m/z 0.017% 2.03% 5876 1.1 937 2132873 129927429 120325743 2-3 20: 73 429 147 221 431 207 222 148 282 267 325 432 223 459 343 402 283 475 149 327 0.991 38.59 447.1 80 99 98 99 429 281.5 9.026 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8348 1798.9 12.7 scans 41% 57 m/z (121) 1.1% 0.0341% 5920 0.7 105 32981 2181583 2030151 2-0 17: 57 71 85 43 41 169 99 58 207 141 112 98 183 197 225 68 182 0.866 38.91 -1.1 81 90 84 86 254 5.9 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4540 1867.4 9.8 scans 39% 74 m/z 0.62% 0.0347% 6025 1.3 121 60024 2218052 2128946 2-3 11: 74 87 143 75 213 256 225 59 101 129 88 0.645 39.45 505.9 68 95 69 92 256 20.3 2.792 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1018 Neophytadiene 40.0243 1938.1 >20 scans 95% 95 m/z 0.0093% 14.9% 6122 0.1 1851 4008716 957952298 887508501 1-4 20: 95 123 68 82 81 67 55 43 41 69 83 97 124 109 57 96 71 111 137 79 1.000 39.94 569.0 81 100 100 100 278 125.6 0.460 0.088 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3685 1980.8 7.3 scans 37% 149 m/z 0.16% 0.0366% 6180 0.9 143 225389 2344405 2234538 2-2 9: 149 150 104 76 167 132 205 50 416 0.870 40.31 605.9 68 94 70 94 223 33.3 5.392 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N406_R~1-N1110 Phytol 40.4175 1986.9 7.3 scans 73% 81 m/z (341) 0.37% 0.141% 6188 1.0 279 99539 0.159% 9036895 8482345 10158868 2-1 19: 81 82 95 68 123 69 43 67 83 79 55 109 41 124 96 71 97 278 110 0.991 40.66 -30.3 93 97 97 97 278 31.2 1.258 -0.245 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6123 2011.0 6.9 scans 22% 221 m/z (186) 2.3% 0.00837% 6221 1.1 69 15773 535104 515016 1-4 15: 221 73 147 295 222 281 207 208 296 370 297 371 369 283 267 0.790 40.63 630.9 71 98 80 96 369 12.7 3.349 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1254 Phytol 40.8655 2042.4 7.9 scans 84% 82 m/z 0.20% 0.248% 6264 1.2 365 180340 15885457 14481141 2-4 20: 82 81 95 68 123 57 43 69 79 83 55 67 41 96 71 97 109 111 53 85 0.962 40.87 -0.3 98 99 96 98 278 49.6 1.845 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0391 2064.0 >11 scans 42% TIC 1.7% 0.0134% 6293 0.0 104 21645 0.0298% 856466 828609 1903989 1-0 0.863 41.00 678.2 77 98 88 98 262 13.4 1.651 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2551 2090.7 7.8 scans 78% 79 m/z (253) 0.28% 0.157% 6330 0.9 282 130012 10034131 9461526 2-2 20: 79 67 93 95 80 91 108 55 41 121 81 77 94 107 135 87 78 59 122 105 0.947 41.26 -0.3 96 99 95 99 264 19.4 0.472 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4387 2113.5 9.0 scans 57% TIC 0.74% 0.0901% 6361 0.9 212 50718 5758906 5140097 9-2 0.745 41.49 -83.1 81 98 81 97 276 14.0 0.435 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6560 2128.7 10.1 scans 67% 69 m/z (43) 0.15% 0.217% 6397 0.7 290 250696 13869425 12687910 4-3 20: 69 93 81 133 120 67 79 91 95 119 55 68 77 161 53 134 147 94 70 132 0.958 41.75 731.2 76 99 94 97 272 11.4 0.000 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0214 2149.2 8.5 scans 94% 74 m/z 0.018% 1.43% 6460 0.7 835 2063417 91545121 86613664 2-2 20: 74 87 143 43 55 75 41 57 239 83 59 97 185 101 171 199 71 56 42 84 0.993 42.01 747.2 80 99 99 99 272 20.9 0.063 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3366 2166.9 8.4 scans 82% 73 m/z 0.14% 0.193% 6513 1.2 309 267728 12373676 11427638 2-3 20: 73 147 281 221 355 429 503 341 207 282 430 356 222 148 504 415 283 74 295 505 0.953 42.37 757.9 75 93 94 98 503 53.2 2.971 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9954 2203.9 8.0 scans 73% 82 m/z (239) 0.19% 0.0745% 6625 1.0 190 191889 4760754 4428855 2-3 13: 82 81 95 83 292 109 96 53 94 137 261 42 277 0.956 43.03 781.8 68 93 93 94 292 24.2 1.620 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N406_R~1-N1112 Phyllocladene 43.1678 2213.6 7.2 scans 9.6% 187 m/z (57) 6.5% 0.00318% 6654 1.0 41 5760 203249 168696 6-2 3: 187 272 188 0.533 43.24 -3.8 83 94 45 91 272 11.5 7.968 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8467 2251.7 8.1 scans 41% 71 m/z (149) 2.0% 0.0154% 6769 1.3 84 17962 984767 883142 0-4 16: 71 57 85 43 126 127 99 113 72 268 82 84 83 70 355 141 0.815 43.94 -5.0 68 89 82 85 282 5.1 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 45.5232 2348.0 12.1 scans 32% 95 m/z (111) 4.1% 0.0180% 7053 1.1 78 9154 1152271 1045820 2-3 18: 95 93 109 121 123 207 125 107 189 192 137 96 80 77 91 138 72 191 0.722 45.56 -2.4 68 75 64 74 290 0.0 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8001 2364.0 7.8 scans 42% 73 m/z 1.2% 0.0160% 7100 0.9 93 30876 1027533 952344 2-2 19: 73 355 147 221 281 356 357 148 341 207 415 98 74 282 83 265 68 267 343 0.761 45.78 1.4 92 94 73 92 503 9.4 1.022 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9093 2370.3 17.6 scans 79% TIC 0.27% 0.0824% 7118 1.2 217 136614 0.154% 5268241 5053786 9839407 1-0 0.974 45.92 891.6 79 99 97 98 298 35.5 2.663 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0988 2381.2 8.2 scans 83% 79 m/z (222) 0.18% 0.274% 7151 1.2 356 201469 17570180 15997465 2-5 20: 79 67 95 93 108 80 81 91 55 41 107 94 77 121 135 109 78 149 122 59 0.980 46.13 -2.0 94 95 97 99 292 25.7 0.521 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1022 ? Henicosane 46.1838 2386.0 9.3 scans 24% 57 m/z (222) 1.7% 0.0134% 7165 0.6 68 21141 0.0165% 861206 755950 1054222 0-11 13: 57 71 85 99 169 127 154 140 239 197 126 155 182 0.901 46.28 -5.7 74 80 56 77 296 7.4 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4312 2400.3 8.8 scans 6.5% 177 m/z (126) 6.6% 0.00183% 7206 0.8 27 5688 117107 99898 5-4 3: 177 290 195 0.544 46.49 -3.7 69 78 26 73 290 7.4 0.000 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7570 2419.0 7.8 scans 61% 74 m/z 0.47% 0.0405% 7262 1.1 149 78479 2589024 2410088 2-3 20: 74 87 143 75 43 298 255 55 41 57 69 199 129 83 88 101 59 97 185 213 0.829 46.76 923.9 77 98 81 96 298 29.8 4.005 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4890 2461.2 8.3 scans 27% 57 m/z (95) 3.5% 0.00776% 7387 1.2 56 10658 0.00847% 496208 417607 541167 4-7 18: 57 85 121 306 55 41 70 84 69 71 112 56 126 98 92 83 110 42 0.508 47.50 948.4 67 98 53 94 168 9.1 2.631 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN N407_R~1-N1154 ?? UNK 48.48min 48.4389 2515.9 8.8 scans 42% 148 m/z (295) 2.2% 0.00870% 7547 0.9 62 16486 556363 505195 3-3 8: 148 95 162 286 149 178 108 147 0.759 48.48 977.7 68 94 73 91 286 8.4 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9465 2545.1 7.8 scans 37% 73 m/z (117) 2.8% 0.00727% 7633 0.8 59 13239 464977 423419 2-3 17: 73 147 221 430 356 295 355 207 342 205 290 429 282 222 431 432 358 0.661 48.95 994.7 70 98 71 97 429 18.8 10.113 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3533 2626.0 7.9 scans 65% 74 m/z 0.74% 0.0297% 7871 1.1 124 50348 1899530 1770013 2-4 19: 74 87 43 326 75 55 57 69 41 83 129 227 97 101 199 59 241 71 56 0.801 50.36 1039.0 74 97 80 94 326 27.0 4.699 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8563 2712.5 8.3 scans 31% 73 m/z 3.3% 0.00449% 8126 1.1 48 11066 287116 272474 1-5 17: 73 147 221 281 356 430 208 431 341 222 148 282 504 149 429 74 343 0.573 51.86 1081.6 68 92 54 88 503 9.2 3.738 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN HCMIX_~1-N1030 ?? Pentacosane 54.6733 2874.6 10.4 scans 20% 43 m/z (73) 9.7% 0.00323% 8603 1.0 33 3870 206671 201111 0-5 10: 43 57 231 83 99 84 71 70 111 169 0.578 54.79 -6.7 61 73 53 67 352 0.0 0.000 -0.117 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 61.6794 3278.9 11.9 scans 25% 355 m/z (207) 8.8% 0.00337% 9790 0.9 33 4252 215394 187303 2-4 9: 355 148 341 295 147 356 223 221 415 0.541 45.81 1802.4 62 94 61 90 503 6.1 0.000 15.867 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1433 772.1 >27 scans 57% 77 m/z (57) 0.38% 0.0416% 44 2.9 91 95447 0.0457% 2919742 2919742 3199958 0-0 8: 77 76 45 78 62 92 47 75 0.988 4.37 18.1 97 99 97 99 77 78.8 75.371 -0.228 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5938 835.9 >24 scans 68% TIC 0.42% 0.0335% 459 3.1 96 87840 2347489 2181632 1-1 0.801 6.53 -140.9 79 100 82 99 207 75.6 61.910 0.066 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6877 864.4 8.9 scans 93% TIC 0.17% 0.285% 644 2.4 336 209720 20024950 18587051 2-2 0.986 7.71 9.1 100 100 98 100 98 67.6 4.056 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2746 983.8 >12 scans 39% 282 m/z (95) 1.1% 0.0119% 1420 10.8 83 32566 0.0489% 834643 739833 3424025 0-2 15: 282 283 205 193 133 207 125 285 249 191 203 178 75 163 110 0.778 12.22 37.5 86 93 54 96 281 46.0 30.989 0.055 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9440 1001.3 8.7 scans 44% 84 m/z (108 107) 3.6% 0.0131% 1534 1.6 75 10272 923823 871542 1-3 12: 84 57 56 68 41 55 42 44 100 69 85 95 0.883 12.96 -173.5 66 94 80 95 110 5.8 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2462 1009.5 11.2 scans 77% 81 m/z 0.30% 0.0521% 1585 1.9 136 120584 3654244 3375027 1-3 18: 81 110 53 79 39 41 67 68 65 51 55 77 40 50 63 54 109 111 0.914 13.22 45.9 91 98 91 98 110 39.0 8.215 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1016 Limonene 13.9121 1027.5 8.0 scans 66% 68 m/z 0.67% 0.0378% 1698 1.3 145 54588 2652908 2475196 1-4 20: 68 93 67 79 121 136 94 92 91 107 53 77 39 81 80 41 123 105 108 69 0.858 13.89 52.2 88 98 86 98 136 31.1 4.579 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1241 1033.3 >12 scans 90% 79 m/z 0.13% 0.224% 1734 0.6 288 270478 15702536 14874416 2-0 19: 79 107 77 82 81 65 67 50 49 75 89 39 105 38 74 87 109 62 76 0.993 14.11 54.3 92 100 100 100 108 128.7 19.927 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4617 1042.4 10.6 scans 86% 91 m/z 0.052% 0.256% 1791 1.6 307 707717 17989498 16485413 2-3 19: 91 92 120 65 63 89 39 51 62 121 90 64 135 74 122 61 38 75 77 0.972 14.44 57.6 91 100 98 100 120 101.0 10.809 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1861 1062.0 >12 scans 81% 105 m/z 0.089% 0.182% 1914 1.1 274 414776 12764178 11816262 3-0 20: 105 77 123 51 46 106 124 50 78 74 76 79 75 52 125 39 49 63 93 64 0.976 15.17 64.6 89 100 98 100 123 100.0 13.332 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN 98-86-2 ? Acetophenone 15.2752 1064.5 11.1 scans 84% TIC 0.066% 0.235% 1929 1.0 320 559698 0.362% 16516627 15149719 25347590 0-4 0.993 15.29 -181.2 79 98 97 99 120 109.3 11.637 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.3325 1066.0 >5 scans 27% 122 m/z (53) 0.76% 0.00953% 1939 7.3 87 48531 667825 590296 0-2 2: 122 111 0.833 20.03 -4.7 67 71 68 74 122 13.4 2.409 -4.697 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4364 1068.8 8.9 scans 55% 95 m/z 0.47% 0.0321% 1957 1.3 129 78642 2250396 2094367 2-1 16: 95 81 124 79 43 109 53 39 65 96 67 66 125 80 52 64 0.805 15.43 67.1 83 97 88 97 124 41.4 10.226 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1002 Undecane 16.6099 1101.0 8.2 scans 40% 57 m/z (208) 3.4% 0.00646% 2155 1.1 57 10604 452694 421654 3-0 8: 57 43 113 70 93 112 111 98 0.838 16.59 1.0 88 97 87 95 156 7.7 1.787 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7859 1108.4 8.5 scans 79% 57 m/z 0.35% 0.110% 2185 1.4 228 103634 7736981 6672293 7-4 20: 57 41 56 43 55 98 70 69 44 82 68 95 81 96 67 39 42 71 83 114 0.925 16.82 86.0 79 96 90 95 124 4.3 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.1253 1122.7 17.7 scans 87% TIC 0.066% 0.302% 2243 0.5 298 558827 21168065 19627028 1-4 0.988 17.05 96.7 78 96 94 96 122 102.1 11.734 0.073 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0964 1163.8 10.5 scans 66% 355 m/z 0.76% 0.0292% 2407 1.3 111 48399 2048402 1970601 1-2 20: 355 73 267 357 251 269 154 356 268 193 249 325 265 341 281 74 207 339 270 250 0.853 18.13 -167.9 78 98 81 98 355 51.7 21.556 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.1176 1164.7 >5 scans 41% 268 m/z (223) 1.2% 0.00814% 2410 999.0 79 29458 0.0194% 570166 509384 1358407 0-2 16: 268 339 162 154 269 237 87 163 263 203 359 193 125 110 250 96 0.881 18.09 123.1 67 93 79 91 355 35.9 20.526 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.4004 1176.6 9.0 scans 13% 281 m/z (99) 16% 0.000571% 2458 4.3 21 2194 0.00105% 40003 40003 73522 0-0 3: 281 282 283 0.459 12.25 23.5 69 85 22 84 281 11.7 30.392 6.149 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN M4942-N1002 ? Pyranone 18.5445 1182.7 12.7 scans 77% TIC 0.31% 0.107% 2483 0.8 199 118116 7533105 6979489 2-1 0.937 20.04 -207.8 78 98 93 98 144 87.6 19.406 -1.498 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7145 1189.9 8.4 scans 28% 98 m/z (112) 8.6% 0.00438% 2512 0.8 49 4291 307073 303313 0-1 14: 98 82 111 69 55 67 43 97 41 83 57 93 72 108 0.786 18.71 139.1 65 94 69 93 153 1.9 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8325 1194.9 8.6 scans 53% 70 m/z 2.6% 0.0135% 2532 1.2 89 14212 951389 828316 2-3 20: 70 83 55 93 41 43 69 57 96 84 39 56 42 97 54 67 72 79 98 68 0.817 18.83 142.2 69 94 83 97 122 7.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7659 1234.3 10.9 scans 42% 119 m/z (57) 0.50% 0.0331% 2690 1.1 111 73686 2321556 2115660 4-4 7: 119 91 134 65 120 50 92 0.910 13.76 34.8 74 81 70 81 134 38.9 12.186 6.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8337 1237.2 11.0 scans 72% 57 m/z 0.25% 0.0871% 2701 0.7 189 143177 6103433 5573484 1-3 19: 57 45 75 41 87 56 100 71 59 85 58 131 60 44 132 73 61 55 62 0.916 19.81 169.7 78 99 95 98 144 5.3 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1034 ? Decanal 20.5274 1263.9 8.2 scans 84% 57 m/z 0.59% 0.0820% 2819 1.1 209 61796 5745249 5286132 5-1 20: 57 41 43 55 82 70 71 68 83 44 56 67 112 69 81 96 95 84 42 39 0.957 20.57 -143.1 74 92 94 99 138 11.3 0.291 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1266 ?? Octanoic acid 20.9471 1276.5 17.5 scans 42% 85 m/z (91) 1.9% 0.0236% 2890 1.5 76 18839 1655621 1575389 1-1 5: 85 73 101 87 98 0.854 22.03 -32.6 63 71 71 76 175 0.0 0.000 -1.087 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9878 1277.7 8.6 scans 58% 91 m/z (85) 0.92% 0.0460% 2897 1.1 149 40024 3225998 2976536 2-1 17: 91 137 77 93 121 109 81 136 67 39 65 78 110 92 53 119 51 0.801 32.87 17.4 60 64 67 63 206 0.0 0.000 -11.885 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1006 ? Arosol 21.0894 1280.8 8.9 scans 50% 94 m/z 0.51% 0.0175% 2914 1.3 100 72478 1226750 1170410 0-1 14: 94 138 77 95 66 51 63 65 107 79 144 139 50 71 0.860 20.98 195.8 76 98 83 97 152 2.7 0.000 0.106 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1042 ?? Phytol 21.2830 1286.6 8.5 scans 12% 71 m/z (110) 12% 0.00230% 2947 0.8 31 2989 161493 149649 3-0 7: 71 56 126 57 83 96 112 0.579 35.35 -10.8 65 78 43 74 196 0.0 0.000 -14.064 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8397 1363.3 9.7 scans 37% 57 m/z (51) 3.1% 0.0103% 3380 1.2 64 11956 727457 631204 2-1 12: 57 71 58 85 70 41 126 55 56 172 84 42 0.669 23.86 -0.7 81 92 84 90 184 7.9 1.536 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1130 1372.4 7.2 scans 26% 341 m/z 0.48% 0.0286% 3426 1.0 131 76498 2003805 1895900 2-3 15: 341 429 342 325 343 430 431 147 326 344 251 148 327 328 311 0.586 24.17 -151.4 78 99 57 98 429 48.2 13.623 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5800 1388.0 9.7 scans 47% TIC 2.0% 0.00652% 3505 0.7 69 18153 456928 391984 2-0 0.779 24.54 250.7 73 95 73 93 169 9.1 1.740 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.8610 1397.4 10.1 scans 61% 43 m/z 1.1% 0.0214% 3553 1.0 102 33220 1502125 1416895 2-1 20: 43 83 82 142 55 41 113 69 58 56 111 85 95 93 39 71 84 128 67 68 0.851 24.70 257.8 70 93 81 96 170 4.7 0.000 0.165 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2512 1410.4 7.3 scans 30% 43 m/z 1.3% 0.00492% 3619 1.0 56 28473 344488 305849 5-1 10: 43 145 103 116 115 86 146 113 126 127 0.781 25.24 -149.5 74 97 90 97 145 21.9 15.296 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1004 Nicotine 25.5871 1421.6 >23 scans 97% TIC 0.0048% 12.0% 3676 0.2 1610 7641778 841580620 833387009 0-1 1.000 25.89 264.6 80 99 99 99 162 462.4 8.249 -0.305 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7719 1427.8 8.1 scans 24% 159 m/z (85) 1.4% 0.0106% 3708 1.0 76 24989 748894 724441 3-2 5: 159 136 160 174 194 0.644 42.45 17.2 61 67 47 70 272 0.0 0.000 -16.674 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1025 1472.2 6.5 scans 31% 221 m/z (118) 3.7% 0.00423% 3933 1.0 52 9857 296615 273079 2-2 14: 221 147 73 222 281 115 355 443 283 282 269 356 251 323 0.780 27.12 297.3 70 95 78 93 355 10.6 4.070 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 8.1 scans 66% 57 m/z (118) 0.85% 0.0233% 3944 1.1 112 43490 0.0412% 1633707 1600847 2884864 1-0 18: 57 71 85 43 41 113 56 99 198 70 55 98 127 112 126 42 83 155 0.951 27.21 -1.4 93 97 95 97 198 14.3 1.628 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1032 Myosmine 27.9272 1502.8 10.2 scans 80% 118 m/z 0.15% 0.146% 4072 1.6 249 245804 10225507 9768388 1-3 20: 118 146 145 105 78 51 147 59 104 119 117 63 50 91 65 41 77 64 39 42 0.965 27.93 316.1 80 99 95 99 146 109.6 19.457 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3835 1520.0 8.6 scans 73% 80 m/z (141) 0.25% 0.0550% 4150 0.9 165 146740 3855513 3621741 2-2 18: 80 171 104 170 172 78 91 77 53 65 81 51 103 50 105 39 115 52 0.956 28.39 326.6 76 99 95 98 171 74.3 20.364 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6586 1530.3 7.9 scans 88% 43 m/z 0.067% 0.307% 4196 0.9 414 549843 21515599 20089564 3-2 20: 43 69 41 151 136 107 125 67 93 109 83 121 53 68 81 39 108 79 55 91 0.976 28.67 332.9 80 99 97 99 194 27.0 0.424 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0895 1546.5 7.5 scans 72% 71 m/z (59) 0.31% 0.0846% 4269 1.3 212 119095 0.106% 5924185 5662288 7422223 1-0 20: 71 57 43 85 41 70 141 55 113 56 99 112 84 97 69 183 42 207 72 140 0.946 29.10 342.6 73 97 94 96 227 0.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5270 1562.9 >8 scans 58% TIC 0.27% 0.0818% 4343 0.9 226 133725 5728846 5391910 7-0 0.734 29.61 -150.2 78 99 88 99 503 38.1 2.841 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6362 1567.0 10.4 scans 74% 158 m/z 0.020% 0.839% 4362 0.7 599 1829217 58814093 55283611 2-4 20: 158 157 130 159 116 117 89 156 90 63 104 78 143 42 51 103 62 80 50 131 0.911 29.68 354.4 79 99 89 99 158 344.9 33.192 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7531 1571.4 7.8 scans 53% 123 m/z 0.11% 0.0642% 4382 1.0 194 333752 4497307 4138831 1-2 12: 123 135 124 107 95 109 79 81 67 125 193 165 0.851 29.77 357.4 78 99 81 97 193 17.4 0.806 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9361 1578.3 9.0 scans 67% 71 m/z (124) 0.27% 0.113% 4413 0.7 218 135509 7920195 7251625 1-2 19: 71 85 57 43 99 113 127 84 155 70 56 169 112 154 86 42 197 72 114 0.978 29.94 361.9 77 99 98 99 254 6.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 30.1639 1586.9 8.0 scans 52% 57 m/z (139) 0.87% 0.0310% 4451 1.1 127 42475 2170739 1932524 1-1 20: 57 85 71 43 41 55 99 113 127 70 56 69 98 155 72 141 97 184 112 196 0.928 30.38 -8.0 78 82 91 83 212 0.0 0.000 -0.213 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4933 1599.8 7.8 scans 75% 191 m/z 0.069% 0.125% 4507 1.1 269 533809 8806194 8015347 2-4 19: 191 206 192 57 163 175 74 91 115 207 147 107 73 88 128 77 133 161 117 0.942 30.50 375.0 80 99 92 99 206 74.4 7.672 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8103 1613.1 8.4 scans 30% 124 m/z (57) 1.4% 0.0152% 4561 0.9 87 26307 1068521 1001645 3-2 4: 124 137 180 138 0.904 30.81 383.7 73 96 85 98 180 22.9 6.955 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8706 1615.6 10.3 scans 58% 162 m/z (204) 0.55% 0.0642% 4571 1.1 158 66758 4499985 4035880 3-3 18: 162 147 161 105 148 106 104 134 163 119 91 176 77 133 149 51 145 115 0.862 30.88 -0.4 92 96 81 94 204 12.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9190 1617.7 8.6 scans 19% 172 m/z (91) 1.5% 0.00915% 4579 1.3 65 23579 641193 540553 4-8 4: 172 156 181 130 0.750 30.93 -0.3 90 94 75 98 171 39.2 36.337 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1870 1628.9 9.3 scans 73% TIC 0.13% 0.193% 4625 0.7 310 284166 13517041 12631420 2-1 0.889 31.18 393.9 79 100 96 100 180 67.4 4.737 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 9.1 scans 67% 43 m/z (113) 0.47% 0.0518% 4679 1.1 155 78590 3633709 3515927 1-1 20: 43 98 111 166 85 151 55 127 41 71 82 83 69 107 68 105 123 99 67 39 0.926 31.52 -0.3 95 99 96 99 166 30.8 3.960 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6262 1647.4 8.0 scans 44% 71 m/z (143) 1.4% 0.0213% 4699 1.4 103 26206 1497615 1431011 0-2 20: 71 85 57 43 73 127 99 169 69 55 84 41 70 155 100 111 83 326 403 56 0.766 31.63 -0.3 70 94 75 88 429 9.7 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9154 1659.5 8.1 scans 47% 71 m/z (143) 1.7% 0.0229% 4748 0.5 103 20816 1608312 1503317 1-1 17: 71 83 57 85 55 43 82 41 69 99 113 155 111 56 70 110 183 0.910 31.92 -0.2 81 89 90 90 219 4.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0719 1666.1 6.5 scans 62% 221 m/z (182) 0.46% 0.0354% 4775 0.9 151 78940 2482569 2347149 2-1 20: 221 73 147 295 222 207 355 223 281 341 325 279 148 74 267 297 356 208 224 343 0.929 32.08 -0.3 95 98 93 99 355 26.7 3.140 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2301 1672.8 8.8 scans 56% 57 m/z (147) 0.77% 0.0377% 4801 1.4 128 47789 0.0411% 2642557 2574083 2877862 3-2 17: 57 71 43 85 183 41 56 55 99 141 149 70 113 220 182 42 148 0.905 32.24 -0.3 88 96 90 95 226 6.4 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4408 1681.6 9.7 scans 53% 57 m/z (69) 0.92% 0.0347% 4837 0.8 121 40183 2436386 2260851 0-2 20: 57 85 197 43 41 127 55 107 113 169 141 84 83 123 70 196 168 155 109 42 0.900 32.44 -0.1 91 97 88 95 226 4.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6610 1690.9 8.5 scans 55% 119 m/z (174) 2.5% 0.0335% 4875 1.2 126 14273 2349447 2159497 1-2 19: 119 91 93 131 79 107 43 146 81 145 147 133 121 106 149 67 77 202 135 0.942 32.67 -0.6 93 97 91 96 220 8.2 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8623 1699.3 8.0 scans 13% 70 m/z (149) 1.0% 0.0108% 4909 1.5 66 35663 756527 548944 1-5 5: 70 122 196 66 194 0.591 32.87 -0.2 64 75 41 74 186 6.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9284 1702.1 7.9 scans 68% 71 m/z 0.10% 0.0840% 4919 0.9 217 365057 5883139 5508001 6-2 15: 71 43 159 111 243 56 72 173 143 98 155 89 73 244 44 0.922 32.93 -0.2 95 96 91 98 243 35.8 2.736 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0837 1708.6 7.1 scans 48% 83 m/z (149) 2.6% 0.0184% 4946 1.0 103 13910 1293106 1190897 1-1 20: 83 97 55 57 69 111 70 41 84 43 85 68 98 71 125 82 140 67 99 54 0.895 33.09 -0.1 89 95 95 98 224 6.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3039 1717.9 7.2 scans 75% 57 m/z (183) 0.31% 0.0688% 4983 0.7 194 117259 4819972 4513432 3-1 16: 57 71 43 85 41 55 99 56 70 113 226 42 84 112 98 141 0.965 33.37 -2.9 92 97 96 96 226 23.1 1.413 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 33.8895 1728.2 7.9 scans 40% 71 m/z (247) 1.4% 0.0265% 5082 1.0 114 25217 1857068 1611791 9-1 20: 71 43 57 70 85 41 168 99 55 136 56 42 113 111 196 96 197 141 69 53 0.664 33.90 -0.1 77 82 83 97 197 19.7 2.959 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2685 1733.6 8.3 scans 42% 57 m/z (173) 1.2% 0.0161% 5147 0.9 91 28545 1127755 1057360 1-2 17: 57 71 85 43 182 113 98 41 183 56 211 141 70 127 97 169 86 0.904 34.27 0.0 89 96 90 94 211 17.8 3.812 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4113 1735.7 8.0 scans 94% 355 m/z 0.014% 1.91% 5171 0.7 1027 2567218 134412540 125599277 2-2 20: 355 73 221 147 281 401 282 222 402 327 267 74 207 358 385 416 149 75 341 191 0.990 34.39 452.7 81 100 99 100 415 125.8 1.501 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7532 1740.5 10.9 scans 82% 91 m/z 0.047% 0.442% 5229 0.5 423 773638 30997825 29139756 2-3 20: 91 155 199 90 65 184 92 89 44 120 137 106 63 77 39 200 64 156 51 134 0.971 34.79 451.5 80 99 96 99 199 122.3 8.354 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8984 1742.6 7.7 scans 35% 68 m/z (57) 1.3% 0.0256% 5253 1.1 114 28412 1798125 1627191 3-4 2: 68 224 0.947 34.90 -0.1 94 98 97 98 224 16.6 2.105 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6871 1753.9 18.3 scans 13% TIC 0.77% 0.00911% 5387 1.2 75 47926 0.0111% 638183 598991 777233 1-0 0.272 35.70 451.2 66 94 36 90 224 26.4 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9326 1757.4 >10 scans 46% TIC 0.77% 0.0281% 5428 0.8 150 47667 0.0546% 1972034 1858635 3823145 1-0 0.737 35.94 451.0 69 93 67 92 238 7.6 0.259 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5200 1765.8 7.0 scans 44% 221 m/z 0.31% 0.0646% 5528 1.1 199 118761 4528258 4242928 2-3 20: 221 73 147 295 207 222 281 369 341 223 296 327 208 148 355 74 370 282 342 297 0.862 36.58 449.3 77 98 86 98 369 33.2 2.769 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.5 scans 39% 209 m/z 0.39% 0.0367% 5643 0.9 140 93759 2570991 2404872 3-2 18: 209 224 181 210 178 165 167 166 105 179 225 103 152 77 115 194 104 182 0.837 37.20 449.2 76 98 81 97 224 48.1 11.784 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0561 1787.8 9.0 scans 65% 57 m/z (173) 0.50% 0.0582% 5788 1.1 166 73277 4079840 3910389 1-2 20: 57 71 85 43 56 99 225 41 55 113 224 239 127 226 69 141 70 197 98 155 0.950 38.06 448.1 75 99 97 99 225 31.6 3.635 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5980 1795.5 9.3 scans 93% 73 m/z 0.017% 1.78% 5880 1.0 911 2102408 124820381 115813313 2-3 20: 73 429 147 221 355 430 281 341 431 207 222 357 148 342 267 325 223 432 459 343 0.989 38.59 447.4 80 99 98 100 429 271.1 8.863 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8276 1798.8 14.8 scans 34% 57 m/z (239) 1.2% 0.0341% 5919 1.4 99 30752 2392053 2200308 1-1 13: 57 183 254 55 210 41 84 225 83 68 42 82 39 0.890 38.91 -1.2 83 93 84 89 254 9.1 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4492 1866.9 12.1 scans 33% 256 m/z 0.80% 0.0214% 6024 2.1 96 46263 1499744 1365828 3-2 13: 256 41 75 59 225 91 101 157 42 39 186 183 76 0.631 39.45 505.4 64 90 57 87 256 19.1 3.934 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8796 1920.2 >12 scans 97% 210 m/z 0.013% 4.72% 6097 0.1 1530 2839855 330907583 310185067 1-0 10: 210 263 236 37 238 177 265 147 100 169 0.999 39.94 551.1 80 99 99 99 278 82.5 0.290 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4186 1987.0 8.1 scans 52% 149 m/z (81 99) 0.14% 0.0636% 6188 0.9 182 262821 4457997 4180530 2-2 9: 149 150 223 104 167 205 76 75 50 0.964 40.31 612.1 73 96 89 99 223 35.3 3.755 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N406_R~1-N1110 Phytol 40.4622 1992.4 7.2 scans 62% 81 m/z 0.36% 0.100% 6196 0.8 266 102015 0.126% 7008218 6672205 8822642 10-2 17: 81 82 95 68 123 69 79 55 67 83 109 96 124 97 278 110 111 0.900 40.66 -24.8 93 95 87 94 278 31.3 1.390 -0.200 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5951 2008.9 7.0 scans 63% 221 m/z (185) 0.34% 0.0629% 6218 1.0 194 107173 4407396 4197926 1-2 20: 221 73 147 295 207 281 222 369 223 296 355 148 282 297 370 208 74 283 371 401 0.953 40.63 628.8 74 95 96 99 369 32.6 2.825 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1254 Phytol 40.8920 2045.7 7.6 scans 81% 81 m/z (249) 0.32% 0.173% 6268 1.0 301 114469 12120882 11051326 2-4 20: 81 82 95 68 123 57 43 79 69 83 55 67 71 96 41 109 97 124 278 111 0.979 40.87 3.0 96 99 98 99 278 39.4 1.706 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2763 2093.4 7.9 scans 85% 79 m/z (274) 0.14% 0.285% 6334 0.9 389 253234 19967916 18650303 3-2 20: 79 67 93 95 80 91 108 121 55 81 41 94 77 107 135 87 59 78 122 105 0.983 41.26 2.4 96 97 97 99 264 29.1 0.559 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4392 2113.6 13.8 scans 10% 71 m/z (205) 1.6% 0.0183% 6361 1.5 78 22844 1288169 1208349 2-1 20: 71 85 263 231 188 202 172 182 279 210 88 278 244 196 211 168 140 259 181 240 0.613 41.48 -5.4 64 87 68 82 268 6.9 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4628 2116.5 8.5 scans 64% TIC 0.47% 0.107% 6365 0.8 247 78254 7519219 6810116 2-2 0.837 41.49 -80.1 84 99 85 98 276 17.1 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.6689 2129.4 10.5 scans 24% TIC 0.22% 0.100% 6400 0.7 211 163737 7027020 6575158 3-4 0.314 42.05 -21.2 64 70 20 64 272 4.5 0.000 -0.376 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6695 2129.5 9.2 scans 83% 69 m/z (71) 0.083% 0.344% 6401 0.7 390 441934 24131600 22330112 3-3 20: 69 93 81 41 133 120 67 79 91 95 119 68 55 77 121 161 53 134 147 105 0.980 41.75 732.0 76 97 95 98 272 9.3 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0402 2150.3 8.8 scans 93% 74 m/z 0.014% 1.64% 6463 0.6 911 2490449 115096494 106267427 3-2 20: 74 87 143 55 43 75 227 270 41 69 57 239 129 83 59 97 185 199 171 101 0.995 42.01 748.3 80 99 99 99 272 22.5 0.061 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3277 2166.4 7.8 scans 85% 73 m/z 0.10% 0.231% 6512 1.1 357 354661 16185829 15222136 2-3 20: 73 147 281 221 355 429 503 341 207 282 504 430 356 222 283 148 415 74 295 431 0.964 42.37 757.4 75 93 95 98 503 60.3 2.853 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0077 2204.6 8.0 scans 69% 82 m/z 0.099% 0.110% 6627 1.0 244 372757 7747866 7089016 3-4 14: 82 81 95 43 83 109 96 137 94 53 292 138 108 107 0.897 43.03 782.5 68 90 85 89 292 33.5 1.886 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN N406_R~1-N1112 Phyllocladene 43.1961 2215.2 8.2 scans 7.4% 161 m/z 4.5% 0.00241% 6658 0.6 39 8199 169027 152912 7-0 8: 161 272 162 163 257 131 145 121 0.338 43.24 -2.2 85 90 37 87 272 14.5 14.121 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1020 ? Icosane 43.8537 2252.1 8.2 scans 47% 71 m/z (163) 1.3% 0.0236% 6770 1.3 107 28195 1652608 1519008 2-3 17: 71 85 57 43 127 99 183 113 155 197 84 239 238 268 70 112 56 0.869 43.94 -4.6 76 92 86 89 282 7.9 0.553 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2829 2276.7 7.0 scans 61% TIC 0.60% 0.0251% 6843 1.2 141 61075 1763824 1588749 2-1 0.881 44.32 829.4 75 96 94 99 369 27.0 3.684 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7782 2362.7 8.3 scans 74% TIC 0.35% 0.0670% 7096 1.4 192 105040 4691388 4278173 2-3 0.909 45.78 0.1 98 98 89 98 503 18.9 0.964 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9104 2370.3 8.0 scans 53% 87 m/z (200 292) 0.95% 0.0307% 7119 2.1 116 38840 2156167 1933352 2-2 13: 87 255 75 143 298 199 88 269 256 144 185 130 299 0.836 45.92 891.6 68 96 85 96 298 20.0 2.989 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1082 2381.7 8.1 scans 88% 79 m/z (264) 0.082% 0.549% 7152 0.9 529 447690 38497690 35772864 2-4 20: 79 67 95 93 108 80 81 55 91 41 107 94 77 121 135 109 78 149 59 105 0.993 46.13 -1.5 94 94 97 99 292 39.8 0.567 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN HCMIX_~1-N1022 Henicosane 46.1784 2385.7 >12 scans 38% 57 m/z (110 93) 0.98% 0.0286% 7165 1.4 105 37780 0.0557% 2006341 1860669 3900168 0-2 11: 57 99 43 141 211 58 72 239 155 210 100 0.867 46.28 -6.0 81 91 77 88 296 9.8 0.868 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7581 2419.1 7.9 scans 72% 74 m/z (119) 0.48% 0.0457% 7262 1.1 156 76299 3204530 3036983 3-2 17: 74 87 143 75 298 43 55 255 41 83 59 101 267 97 129 200 299 0.953 46.76 924.0 76 99 96 98 298 29.8 3.638 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5002 2461.8 8.4 scans 26% 138 m/z (237) 5.1% 0.00573% 7388 1.1 52 7184 401192 357394 7-4 5: 138 120 121 139 168 0.771 47.50 949.0 65 96 79 93 168 5.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9175 2543.4 7.6 scans 73% 73 m/z 0.56% 0.0400% 7628 1.2 150 65902 2802231 2568461 2-5 20: 73 147 221 355 429 281 356 430 207 431 357 265 222 282 148 341 74 358 401 283 0.868 48.95 993.0 73 94 89 99 429 42.3 7.926 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3509 2625.9 8.4 scans 40% 87 m/z (255) 4.4% 0.00544% 7871 1.1 49 8289 381010 317021 10-5 11: 87 74 326 227 129 199 283 75 143 241 88 0.724 50.36 1038.9 61 90 72 87 326 11.3 5.248 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8344 2711.2 8.4 scans 64% 73 m/z 0.87% 0.0269% 8123 1.1 117 42531 1887839 1694643 2-5 19: 73 147 221 281 503 430 341 358 431 282 429 327 74 223 148 267 328 369 279 0.800 51.86 1080.3 76 99 81 98 503 18.4 2.477 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8947 3059.9 12.9 scans 36% 221 m/z (369) 3.9% 0.00780% 9149 1.0 50 9358 546290 507235 3-4 15: 221 73 222 325 281 283 355 296 205 401 295 327 149 297 431 0.565 45.81 1583.4 61 92 67 89 503 3.1 0.000 12.083 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1051 771.1 18.1 scans 57% 77 m/z 0.23% 0.0599% 37 2.1 125 148888 3288638 3114297 1-2 10: 77 45 78 59 62 76 79 75 46 47 0.954 4.37 17.1 99 99 93 99 77 110.9 78.084 -0.266 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5921 835.9 17.5 scans 70% 207 m/z 0.53% 0.0350% 458 2.8 97 65014 1925171 1775808 1-2 19: 207 208 209 191 193 210 177 133 192 119 176 163 161 149 115 178 135 147 134 0.866 6.53 -140.9 80 100 87 99 207 73.3 57.194 0.064 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N506_R~1-N1176 2-Hexenal 7.7008 864.7 9.0 scans 95% 69 m/z (67) 0.048% 1.26% 646 1.4 698 709694 69378719 62529375 2-4 20: 69 55 41 83 39 42 57 98 70 97 56 43 53 54 79 40 68 51 38 50 0.999 7.71 9.4 99 100 100 100 98 137.3 3.866 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.9081 1000.3 >16 scans 44% 134 m/z 1.2% 0.0119% 1529 17.0 67 26881 655185 655185 0-0 9: 134 281 94 179 267 83 109 208 282 0.782 12.22 54.0 87 96 76 98 281 47.1 49.583 0.688 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1022 ?? Octanal 13.4559 1015.2 13.4 scans 46% 57 m/z (67) 3.7% 0.0224% 1621 1.4 86 9179 1234486 1101139 2-2 16: 57 84 56 44 69 43 55 41 100 68 82 42 65 54 83 99 0.899 12.96 -159.6 68 93 87 97 110 9.0 0.000 0.501 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.7322 1022.7 9.4 scans 63% 81 m/z 0.35% 0.0370% 1668 1.9 133 98740 2035798 1924187 5-3 17: 81 110 53 39 79 67 41 51 65 68 77 82 50 54 40 80 52 0.872 13.22 59.1 86 97 85 96 110 39.0 8.573 0.510 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1016 ? Limonene 14.3491 1039.4 8.2 scans 20% 93 m/z 2.1% 0.0135% 1773 1.1 83 16423 742093 663337 3-2 11: 93 94 121 92 107 79 91 124 123 80 136 0.661 13.89 64.1 77 90 71 94 136 18.4 4.881 0.457 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5551 1045.0 18.5 scans 93% 79 m/z 0.032% 1.67% 1807 1.3 646 1076804 91821992 85906061 2-3 20: 79 108 107 77 51 91 78 50 80 89 90 63 109 65 39 52 53 105 62 38 0.998 14.11 66.0 89 100 100 100 108 284.4 19.381 0.446 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8656 1053.4 10.0 scans 79% 91 m/z 0.060% 0.249% 1860 1.5 312 575305 13712398 12191165 2-4 20: 91 92 120 65 63 89 39 51 62 50 90 121 93 64 66 38 207 74 208 61 0.964 14.44 68.6 88 100 98 100 120 101.9 10.689 0.424 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5339 1071.5 10.7 scans 83% 105 m/z 0.13% 0.180% 1973 2.1 244 262429 9932920 9347000 2-1 19: 105 77 123 51 46 106 50 78 124 74 76 75 52 79 53 64 38 73 49 0.944 15.17 74.1 86 99 96 99 123 87.8 12.990 0.364 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN 98-86-2 ? Acetophenone 15.6100 1073.5 >11 scans 54% 105 m/z 0.43% 0.0392% 1986 1.8 135 79427 0.116% 2156120 2063799 6367258 0-1 20: 105 85 77 107 51 108 43 121 106 78 104 41 81 74 65 42 58 125 55 89 0.820 15.29 -172.2 78 99 94 99 120 40.0 8.779 0.317 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7647 1077.7 8.3 scans 62% TIC 0.53% 0.0290% 2012 1.4 140 64833 0.0426% 1594728 1547588 2338320 1-0 0.849 15.43 76.0 75 88 79 99 124 41.5 8.775 0.332 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1002 Undecane 16.8627 1111.6 7.4 scans 29% 69 m/z (46) 5.8% 0.00389% 2198 1.1 46 5879 213721 195647 0-1 12: 69 41 70 43 113 93 126 98 84 127 121 83 0.775 16.59 11.6 81 91 78 93 156 6.4 0.000 0.276 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0357 1119.0 8.8 scans 76% 57 m/z 0.36% 0.141% 2227 1.6 250 95242 7787743 6989985 5-2 20: 57 41 56 43 55 98 44 70 69 82 68 95 96 81 67 39 42 71 54 114 0.952 16.82 96.6 78 98 94 97 124 13.6 0.000 0.221 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3409 1131.8 13.1 scans 88% 91 m/z 0.027% 0.765% 2279 0.7 507 1252599 42014655 39455595 2-5 20: 91 92 122 65 51 39 63 89 103 123 104 50 77 62 78 90 79 66 74 61 0.951 17.05 105.8 79 99 93 99 122 171.5 11.438 0.289 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2559 1170.5 9.3 scans 64% 73 m/z 0.52% 0.0402% 2434 1.6 137 65933 2208746 2076678 2-1 19: 73 355 267 356 268 357 251 270 269 191 249 74 323 193 237 177 179 325 59 0.875 18.13 -161.2 79 99 85 98 355 57.3 17.517 0.125 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1012 ?? Nicotine 18.4271 1177.7 >3 scans 0.54% 133 m/z 45% 0.000101% 2463 0.4 8 767 5561 2050 3-5 2: 133 98 0.322 25.78 22.4 68 100 100 100 162 0.0 0.000 -7.351 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.4979 1180.7 6.4 scans 1.7% 281 m/z (74) 7.9% 0.000673% 2475 1.0 20 4333 36947 36034 0-3 3: 281 265 283 0.323 12.25 27.6 68 91 36 88 281 18.9 87.049 6.247 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN M4942-N1002 ? Pyranone 18.5440 1182.7 11.0 scans 80% 144 m/z 0.32% 0.109% 2483 0.8 208 106667 6015375 5456757 4-4 19: 144 43 101 44 72 73 55 45 115 42 102 145 74 58 85 53 71 67 191 0.962 20.04 -207.8 78 98 93 97 144 91.4 19.343 -1.498 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0003 1201.9 8.6 scans 49% TIC 3.5% 0.00996% 2560 1.0 84 9629 546837 515080 1-1 0.749 18.83 149.2 71 99 86 98 122 6.9 0.000 0.170 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.2801 1213.8 9.1 scans 16% 81 m/z (139 40) 7.6% 0.00331% 2608 1.1 37 4547 181888 155792 3-4 3: 81 54 137 0.745 19.12 156.7 63 87 82 91 97 7.8 4.459 0.159 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.9129 1240.5 10.9 scans 46% 119 m/z 0.77% 0.0207% 2714 1.1 93 44940 1138410 1065793 3-2 11: 119 91 65 120 134 92 63 50 51 121 135 0.874 13.76 41.0 73 78 69 78 134 34.6 13.679 6.156 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 20.4566 1261.8 16.8 scans 54% 69 m/z 0.79% 0.0513% 2806 0.5 134 43737 2819231 2725111 1-1 17: 69 97 56 61 70 98 96 42 67 102 65 125 54 83 116 112 144 0.683 22.03 -47.3 67 79 58 84 175 0.0 0.000 -1.577 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1034 ? Decanal 20.6450 1267.5 10.0 scans 78% TIC 0.86% 0.0726% 2839 0.9 188 39941 3986645 3518688 2-1 0.960 20.57 -139.5 78 98 99 98 138 9.6 0.259 0.076 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6450 1267.5 8.4 scans 65% 57 m/z 0.92% 0.0554% 2839 0.9 172 37357 3046210 2736540 3-3 17: 57 41 55 82 70 71 68 83 56 44 67 81 112 69 96 84 109 0.928 20.56 188.8 78 100 97 99 128 15.3 0.789 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 20.7648 1271.0 >31 scans 50% 122 m/z (59) 0.70% 0.0855% 2859 1.3 120 49221 4694343 4386630 1-0 19: 122 105 63 78 51 50 77 123 65 79 38 121 124 94 53 39 108 37 62 0.862 20.03 200.3 73 95 94 95 122 56.8 22.598 0.736 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.1137 1281.5 9.2 scans 55% 94 m/z (99) 0.87% 0.0528% 2918 1.0 153 39353 2900125 2657205 2-2 20: 94 137 152 109 123 81 95 67 65 79 66 51 41 147 63 53 119 130 139 107 0.704 21.00 196.2 74 98 83 98 155 0.0 0.000 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1006 ?? Tridecane 22.5818 1325.6 7.4 scans 38% 85 m/z (133) 5.2% 0.00629% 3167 0.9 58 6620 345574 310627 2-2 15: 85 43 98 57 84 99 41 55 70 113 71 56 141 111 83 0.810 23.86 -38.4 66 80 80 77 184 0.0 0.000 -1.280 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.9384 1366.6 >20 scans 83% 60 m/z (125) 0.077% 0.831% 3397 0.1 461 445077 45648378 42522498 1-5 20: 60 73 57 41 55 115 129 43 69 87 98 39 45 61 42 83 56 70 101 74 0.973 22.70 -108.7 71 93 92 96 158 33.1 0.515 1.242 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.9384 1366.6 >20 scans 90% 60 m/z 0.081% 0.850% 3397 0.1 479 422299 46686968 43489969 1-5 20: 60 73 57 41 55 115 129 43 69 87 98 39 45 61 42 83 56 70 101 74 0.982 25.35 217.4 77 95 94 99 162 0.0 0.000 -1.416 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1002 Contamination 24.17min 24.1462 1373.5 7.2 scans 67% 73 m/z 0.22% 0.0771% 3432 1.0 217 153461 4236873 4000023 2-2 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 251 75 148 191 312 45 59 0.908 24.17 -150.3 80 99 91 99 429 58.6 7.312 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.8263 1396.2 9.8 scans 61% 43 m/z 0.59% 0.0422% 3547 0.8 142 57818 2319461 2182721 5-1 19: 43 83 55 82 41 142 85 56 58 113 111 127 39 57 128 67 68 93 42 0.827 24.70 256.6 75 98 84 97 170 5.3 0.000 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2714 1411.1 7.3 scans 32% 43 m/z 1.2% 0.00635% 3623 0.9 62 27661 348675 308934 3-1 9: 43 145 103 116 115 99 74 61 117 0.828 25.24 -148.8 75 99 90 98 145 23.3 14.140 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.6055 1422.2 >8 scans 94% 84 m/z 0.0042% 4.70% 3679 1.2 1583 8094306 12.2% 258456191 250813527 669659857 0-3 20: 84 161 162 42 118 92 134 65 51 117 63 163 120 159 41 105 52 132 93 106 1.000 25.89 265.2 79 97 97 98 162 432.3 7.457 -0.287 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1080 ?? Solanone 25.8174 1429.3 21.6 scans 12% TIC 2.1% 0.00306% 3715 1.6 55 16132 168286 154913 0-3 0.414 25.78 274.0 64 90 42 89 194 11.1 4.021 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1221 1472.9 6.6 scans 37% 221 m/z 2.1% 0.00759% 3936 1.0 71 16222 416757 394554 1-2 13: 221 73 147 281 222 267 355 356 283 443 268 249 205 0.771 27.12 298.0 73 95 73 94 355 13.9 3.847 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1905 1475.2 8.5 scans 54% 57 m/z (221) 1.5% 0.0146% 3947 1.3 87 22574 0.0283% 803815 783020 1553391 1-0 17: 57 71 85 43 41 55 126 56 70 99 127 42 112 98 39 141 86 0.945 27.21 -0.6 91 96 91 95 198 11.1 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0111 1506.0 14.7 scans 68% TIC 0.36% 0.0721% 4087 1.4 166 94857 0.0797% 3960628 3694897 4374745 1-0 0.926 27.93 319.3 74 95 86 94 146 76.0 20.888 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4066 1520.8 8.6 scans 76% 80 m/z 0.13% 0.112% 4154 1.0 239 261968 6166698 5727034 4-2 19: 80 171 104 53 78 172 170 91 77 81 51 65 103 39 105 52 128 50 167 0.938 28.39 327.4 78 98 92 98 171 107.1 20.065 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6746 1530.9 7.9 scans 90% 43 m/z 0.060% 0.385% 4199 0.9 465 569002 21159556 19740734 2-3 20: 43 69 41 151 136 107 125 67 93 83 109 53 39 121 81 68 55 108 79 91 0.985 28.67 333.5 80 99 98 99 194 29.0 0.388 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1014 1546.9 7.5 scans 72% 71 m/z (180) 0.37% 0.0808% 4271 1.2 208 93312 0.100% 4435403 4255684 5489015 1-0 19: 71 57 43 85 41 70 55 141 56 112 99 179 84 183 69 97 42 127 119 0.962 29.10 343.0 65 88 91 87 227 4.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5336 1563.2 7.2 scans 54% 73 m/z 0.27% 0.0735% 4344 1.0 210 124723 4039668 3896659 1-2 18: 73 281 147 327 282 415 341 283 221 503 399 148 329 74 325 416 342 207 0.787 29.61 -149.9 78 99 89 98 503 30.5 2.120 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1022 Nicotyrine 29.6622 1568.0 9.7 scans 71% 158 m/z 0.029% 0.688% 4366 0.8 558 1164397 37778769 34736871 3-2 20: 158 157 130 159 116 117 89 77 63 156 90 79 78 131 104 51 143 103 142 42 0.913 29.68 355.4 80 100 93 100 158 310.0 30.888 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7673 1572.0 7.6 scans 58% 123 m/z (181) 0.18% 0.0591% 4384 0.9 178 191498 3246434 2909888 1-3 9: 123 135 124 107 95 151 81 53 165 0.962 29.77 358.0 77 99 96 99 193 14.5 0.665 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 29.9220 1577.8 9.0 scans 31% 124 m/z (71) 1.5% 0.0406% 4411 1.1 137 22661 2232375 2076303 1-1 20: 124 123 194 109 161 121 81 119 95 67 137 82 107 68 122 97 179 79 53 162 0.868 31.35 340.3 61 85 72 84 194 29.8 4.724 -1.426 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9474 1578.7 9.0 scans 51% 71 m/z (124) 0.42% 0.0799% 4414 0.8 183 80601 4386577 4006335 1-1 18: 71 85 57 43 113 99 127 155 70 84 56 169 107 42 72 86 170 197 0.933 29.94 362.3 71 95 92 96 254 4.9 0.071 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1010 ? Pentadecane 30.3246 1592.9 9.8 scans 24% 57 m/z (141) 1.5% 0.0195% 4478 0.8 92 22799 0.0301% 1071722 1028906 1652194 0-5 18: 57 71 85 212 99 208 56 70 98 94 112 113 154 42 151 155 126 213 0.810 30.38 -2.0 73 86 82 88 212 12.5 0.000 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5117 1600.6 7.9 scans 58% 191 m/z (113) 0.14% 0.0746% 4510 1.1 198 240209 4098580 3871220 1-4 15: 191 206 192 74 175 88 115 73 147 161 128 116 193 141 60 0.938 30.50 375.8 76 98 89 98 206 56.1 8.021 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8228 1613.6 8.3 scans 47% 124 m/z (69) 0.82% 0.0309% 4563 0.9 121 42006 1696729 1505601 3-9 9: 124 137 180 125 138 54 82 110 152 0.960 30.81 384.2 76 98 93 99 180 32.3 7.154 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8955 1616.7 9.4 scans 65% 162 m/z (171) 0.36% 0.0760% 4575 1.1 182 94934 4177014 3841422 2-2 20: 162 147 161 163 105 91 77 134 51 115 145 131 133 63 58 103 119 148 65 78 0.937 30.88 0.7 84 87 75 87 204 6.9 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9315 1618.2 8.9 scans 9.2% 171 m/z (162) 3.1% 0.00459% 4582 1.1 45 11040 251920 220515 2-7 2: 171 172 0.651 30.93 0.2 88 95 78 94 171 30.2 45.746 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2018 1629.6 9.1 scans 71% 111 m/z (177) 0.18% 0.184% 4627 0.9 288 188729 10125280 9246745 3-2 20: 111 109 137 43 67 180 110 124 95 152 41 79 77 39 81 91 112 65 93 53 0.883 31.18 394.6 76 98 96 100 180 60.7 4.460 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5094 1642.5 9.0 scans 36% 43 m/z 0.74% 0.0182% 4679 1.2 102 46589 1002866 931830 2-1 20: 43 98 111 151 166 55 41 83 127 85 69 82 81 124 67 68 39 123 42 107 0.595 31.52 -0.2 92 96 62 92 166 24.4 5.702 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6275 1647.4 7.7 scans 38% 57 m/z (401) 2.4% 0.0127% 4699 1.4 82 14263 699666 665768 1-1 18: 57 71 85 43 127 69 113 99 223 169 84 70 55 342 83 281 111 112 0.732 31.63 -0.3 65 85 70 80 429 7.2 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 31.6275 1647.4 7.7 scans 39% 57 m/z (73) 2.5% 0.0130% 4699 1.4 84 13527 717293 682541 1-1 18: 57 71 85 43 127 69 113 99 223 169 84 70 55 342 83 281 111 112 0.882 24.54 510.1 63 86 89 93 169 12.0 2.076 7.085 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9220 1659.8 8.2 scans 38% 71 m/z (67) 2.8% 0.0166% 4749 0.7 89 12211 911384 800273 3-1 17: 71 85 83 55 82 45 41 113 100 70 57 112 69 73 56 155 111 0.767 31.92 0.1 68 79 74 83 219 5.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0832 1666.6 17.8 scans 40% TIC 1.1% 0.0171% 4776 0.9 105 31128 0.0264% 940217 766561 1449100 3-0 0.818 32.08 0.2 95 97 88 97 355 16.8 2.561 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2349 1673.0 7.1 scans 40% 57 m/z (124) 1.5% 0.0158% 4802 1.1 95 22432 869149 778287 2-0 20: 57 71 43 85 183 55 41 56 99 169 182 113 149 70 105 141 121 69 58 42 0.890 32.24 -0.1 84 93 86 91 226 5.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4409 1681.6 10.4 scans 34% 85 m/z (137) 2.2% 0.0160% 4837 0.9 81 15356 880148 806775 0-2 17: 85 57 71 56 70 55 197 99 42 105 183 132 93 109 131 111 198 0.818 32.44 -0.1 82 92 76 89 226 0.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6641 1691.0 10.4 scans 17% 119 m/z (98) 7.2% 0.00650% 4875 2.0 50 4782 357066 356098 0-1 17: 119 91 79 106 187 145 135 134 107 163 202 162 160 206 121 137 93 0.456 32.67 -0.5 86 95 43 89 220 5.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8666 1699.5 8.2 scans 9.2% 70 m/z (149) 2.6% 0.00547% 4909 1.7 47 13189 300368 245982 1-4 7: 70 45 208 201 216 171 102 0.438 32.87 0.0 64 84 31 80 186 5.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9297 1702.2 7.7 scans 62% 71 m/z (177) 0.24% 0.0457% 4920 1.0 154 139858 2511136 2248386 7-2 10: 71 43 111 159 56 243 72 155 173 143 0.960 32.93 -0.1 93 95 89 99 243 22.5 2.118 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0962 1709.2 8.7 scans 54% 111 m/z (131) 3.6% 0.0193% 4948 0.7 100 9510 1059534 1040207 0-1 19: 111 194 110 151 147 91 85 39 197 101 58 105 138 152 130 139 79 98 53 0.900 33.09 0.5 82 83 89 95 224 4.8 0.234 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.2 scans 74% 57 m/z (155) 0.44% 0.0582% 4984 0.9 181 77655 3198550 2921714 5-1 20: 57 71 43 85 41 55 226 99 56 70 113 69 42 84 127 227 98 112 83 72 0.972 33.37 -2.8 94 98 97 98 226 20.2 1.237 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1104 ?? UNK 33.53min 33.5319 1723.1 8.5 scans 23% 75 m/z (108) 2.4% 0.0140% 5022 0.9 82 13873 772993 716353 2-3 4: 75 127 74 101 0.723 33.53 452.9 62 89 64 90 166 14.8 3.290 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2674 1733.6 8.1 scans 18% 57 m/z (173) 3.2% 0.00599% 5147 0.9 55 10619 329297 298956 0-4 10: 57 71 210 85 43 211 113 98 212 183 0.776 34.27 -0.0 81 91 68 87 211 12.3 4.989 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4026 1735.5 7.1 scans 77% 73 m/z 0.20% 0.0978% 5169 1.0 245 165985 5370288 5132553 1-2 20: 73 355 147 221 281 356 357 401 222 282 283 74 415 327 148 207 402 358 223 403 0.931 34.39 452.5 79 99 90 98 415 26.4 1.167 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.7397 1740.3 9.8 scans 83% TIC 0.080% 0.275% 5226 0.6 347 429998 15125083 13838260 3-3 0.937 34.79 451.3 79 98 92 99 199 98.5 8.033 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8967 1742.6 8.1 scans 30% 68 m/z (191) 2.4% 0.0147% 5253 1.2 86 14140 811567 736571 3-4 2: 68 224 0.843 34.90 -0.1 88 98 87 96 224 12.3 2.024 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 34.9150 1742.9 11.4 scans 37% 70 m/z (68) 1.9% 0.0235% 5256 1.3 96 18201 1291363 1229110 0-1 18: 70 155 127 95 153 152 54 135 182 86 81 58 123 165 183 156 167 108 0.773 33.90 14.6 79 87 83 94 197 12.5 1.684 1.019 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6830 1753.8 8.7 scans 37% 123 m/z (70) 0.63% 0.0398% 5387 1.1 135 54140 2187838 1935937 4-3 18: 123 181 210 79 124 195 109 119 125 194 182 95 39 225 179 177 51 149 0.607 35.70 451.1 69 94 72 94 224 33.1 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9322 1757.4 17.6 scans 52% TIC 1.1% 0.0286% 5428 1.1 146 30726 0.0479% 1571067 1468003 2629238 1-0 0.794 35.94 451.0 63 88 63 86 238 7.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1186 ? Cotinine 36.1813 1761.0 11.3 scans 26% 98 m/z (71) 1.1% 0.0215% 5470 1.1 86 30293 1180646 1084306 3-3 11: 98 176 118 175 119 63 51 78 80 64 117 0.791 36.19 -88.8 70 94 79 95 176 31.5 13.541 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5555 1766.3 6.7 scans 41% 221 m/z 0.59% 0.0329% 5534 0.9 144 58517 1807424 1684905 3-2 20: 221 73 147 295 207 222 281 223 297 369 341 282 148 74 296 327 209 355 370 325 0.771 36.58 449.8 78 99 76 98 369 22.7 2.480 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1943 1775.5 8.2 scans 61% 209 m/z 0.21% 0.0865% 5642 1.0 216 159822 4747981 4444018 2-2 19: 209 224 181 165 167 178 105 179 210 94 166 194 103 225 77 152 193 115 91 0.893 37.20 449.2 79 99 88 99 224 70.5 10.660 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 8.8 scans 59% 57 m/z (137) 0.76% 0.0449% 5789 0.9 144 45187 2465945 2286117 3-2 20: 57 71 85 225 43 56 41 99 55 224 127 226 98 69 83 141 84 70 125 169 0.946 38.06 448.1 74 99 95 98 225 27.0 3.532 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6182 1795.8 8.5 scans 81% 73 m/z 0.11% 0.210% 5883 1.1 329 306040 11573767 10743926 2-3 20: 73 147 429 221 281 430 207 355 356 431 222 74 148 357 401 223 342 295 267 325 0.960 38.59 447.7 79 99 95 99 429 84.6 6.606 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1016 ? Octadecane 38.8348 1798.9 14.7 scans 36% 57 m/z (155) 1.3% 0.0344% 5920 1.3 98 25754 1889382 1674379 2-2 18: 57 71 70 41 182 84 99 42 113 55 58 254 98 100 183 238 154 162 0.838 38.91 -1.1 77 88 78 84 254 10.7 0.000 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7681 1906.4 >5 scans 6.5% 235 m/z 0.29% 0.0966% 6079 0.0 267 116959 5306209 4754227 1-0 6: 235 183 209 64 114 280 0.089 40.66 525.9 64 88 13 86 278 50.5 3.583 -0.894 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1018 ? Neophytadiene 39.8213 1913.0 >10 scans 67% 127 m/z 0.022% 3.67% 6089 0.0 1245 1559804 201895912 183496572 2-0 6: 127 113 279 117 265 264 0.996 39.94 543.9 79 99 99 98 278 56.6 0.000 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4263 1988.0 13.8 scans 64% TIC 0.054% 0.160% 6190 0.4 312 640589 0.252% 8783315 8094187 13832318 4-0 0.991 40.31 613.1 78 97 96 98 223 62.6 4.020 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1110 Phytol 40.4494 1990.9 >7 scans 76% TIC 0.31% 0.149% 6194 2.0 341 109126 0.296% 8206115 7999815 16247485 0-1 0.962 40.66 -26.3 92 93 91 94 278 32.6 0.913 -0.213 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5969 2009.1 6.9 scans 43% 221 m/z (238) 0.91% 0.0255% 6218 1.1 124 37679 1403698 1305839 2-1 20: 221 73 147 295 281 207 222 369 297 223 296 282 149 148 370 357 74 355 209 341 0.903 40.63 629.0 75 100 93 99 369 18.8 2.309 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1254 Phytol 40.8891 2045.4 8.2 scans 61% 81 m/z (112) 0.38% 0.144% 6268 1.2 270 89725 7929785 7545907 1-4 19: 81 82 95 68 123 57 79 67 71 96 109 124 278 110 137 53 94 80 77 0.883 40.87 2.7 91 97 82 95 278 35.2 1.707 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BQLD_R~1-N1056 ? Homosalate 41.0757 2068.5 11.4 scans 41% 138 m/z (85) 1.2% 0.0390% 6300 0.9 121 28023 2144160 2043251 1-3 10: 138 120 69 109 121 124 70 100 65 75 0.871 41.00 682.7 73 96 88 99 262 14.9 1.508 0.075 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2617 2091.6 8.3 scans 25% 79 m/z (112) 2.4% 0.0170% 6332 0.8 86 14027 933387 832518 1-4 6: 79 67 121 87 107 264 0.735 41.26 0.6 83 94 70 90 264 7.1 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4275 2112.1 16.0 scans 8.3% 71 m/z (205) 3.2% 0.0136% 6359 2.1 63 10711 750656 742608 2-0 4: 71 278 100 99 0.489 41.48 -6.9 62 90 50 82 268 6.1 0.000 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4730 2117.8 8.1 scans 82% 205 m/z 0.21% 0.290% 6367 0.7 398 157738 15965286 14690693 3-2 20: 205 217 57 175 189 220 177 55 41 91 261 191 192 77 115 161 109 176 135 67 0.934 41.49 -78.8 86 100 93 99 276 26.3 0.438 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6690 2129.4 10.2 scans 73% 69 m/z (43) 0.10% 0.316% 6400 0.6 361 326937 17394148 16142592 3-3 20: 69 93 81 41 133 67 120 79 95 91 68 119 55 77 53 161 134 70 109 147 0.958 41.75 731.9 73 96 92 94 272 4.1 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0102 2148.6 7.7 scans 73% 74 m/z 0.17% 0.124% 6458 0.9 271 202487 6822252 6524077 1-1 20: 74 87 143 43 75 55 41 227 270 69 57 239 59 129 83 88 171 185 101 199 0.895 42.01 746.6 78 98 89 97 272 0.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3414 2167.2 7.7 scans 55% 73 m/z 0.54% 0.0358% 6514 1.0 141 64021 1965675 1791976 3-4 20: 73 147 281 221 355 429 207 503 222 295 342 283 148 282 74 431 223 415 356 267 0.836 42.37 758.2 76 98 83 98 503 21.1 2.223 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0013 2204.2 8.0 scans 71% 82 m/z (97) 0.19% 0.0789% 6626 1.0 202 179765 4335973 4013478 2-3 16: 82 81 95 43 83 41 109 108 96 53 94 137 67 106 261 161 0.949 43.03 782.1 68 92 92 93 292 21.8 1.168 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN N406_R~1-N1112 Phyllocladene 43.1796 2214.2 7.9 scans 20% 187 m/z (57) 4.2% 0.00759% 6656 0.8 66 8233 0.00823% 416639 416639 451746 0-0 8: 187 134 161 119 159 189 188 257 0.776 43.24 -3.2 90 97 72 95 272 15.9 5.831 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.2918 2220.5 11.5 scans 16% 263 m/z (209) 3.1% 0.00765% 6675 1.7 52 11023 420388 404621 0-3 18: 263 278 219 149 240 279 239 157 165 129 235 144 128 124 161 105 178 143 0.407 43.31 -0.9 70 85 36 81 278 15.3 8.793 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8526 2252.0 8.5 scans 46% 71 m/z (205) 1.9% 0.0194% 6770 1.4 96 17770 1067315 981335 1-4 17: 71 85 43 127 126 169 113 99 267 155 86 84 70 72 268 141 182 0.898 43.94 -4.7 63 70 81 83 282 4.9 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7901 2363.4 7.6 scans 23% 73 m/z 2.2% 0.00663% 7098 1.1 62 15131 364004 350671 2-5 13: 73 355 221 147 356 281 283 145 222 207 430 148 357 0.673 45.78 0.8 83 86 58 83 503 5.7 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9070 2370.1 8.4 scans 16% 87 m/z (85) 4.7% 0.00397% 7118 1.5 43 7331 218379 194809 3-4 8: 87 75 74 199 255 143 298 88 0.676 45.92 891.4 61 87 55 85 298 8.6 3.953 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0965 2381.0 8.9 scans 60% TIC 1.1% 0.0348% 7150 1.5 138 31365 0.0407% 1911895 1787939 2234029 2-0 0.819 46.13 -2.2 91 94 77 92 292 10.8 0.616 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN HCMIX_~1-N1022 Henicosane 46.1785 2385.7 7.6 scans 35% 71 m/z (87) 2.7% 0.00945% 7165 1.0 69 12578 519030 461508 2-6 11: 71 85 99 211 127 140 72 154 86 239 238 0.857 46.28 -6.0 82 89 76 86 296 6.5 0.893 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7570 2419.0 8.1 scans 18% 74 m/z (155) 4.9% 0.00331% 7262 1.0 41 6985 181946 165345 4-5 8: 74 87 298 75 199 255 88 59 0.649 46.76 923.9 62 92 59 86 298 9.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9289 2544.1 8.2 scans 44% 73 m/z (105) 3.4% 0.00575% 7630 1.1 54 9906 315933 291846 2-3 17: 73 355 221 281 401 148 325 295 430 429 341 74 222 431 283 223 357 0.788 48.95 993.7 73 97 75 95 429 14.9 7.596 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N507_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6120 2871.1 10.2 scans 39% TIC 3.8% 0.00434% 8593 1.1 50 8904 238566 210045 3-1 0.630 45.81 1394.6 71 96 66 93 503 6.0 1.474 8.800 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0979 770.9 8.4 scans 71% 77 m/z 0.12% 0.0606% 36 5.0 210 468435 0.0666% 6123406 5845247 6725932 1-2 16: 77 45 78 79 62 59 76 75 63 47 92 61 46 60 58 64 0.996 4.37 16.9 100 100 99 100 77 179.8 73.517 -0.273 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 6.1446 824.2 10.5 scans 45% 57 m/z (56) 1.1% 0.0133% 383 0.6 84 49026 1349544 1186381 1-5 13: 57 41 39 59 45 42 102 55 58 60 38 53 85 0.801 6.03 -137.4 69 96 86 97 102 9.6 0.000 0.112 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5295 834.2 17.1 scans 64% 207 m/z 0.60% 0.0261% 448 2.4 105 96454 2643004 2413827 1-2 15: 207 208 209 96 191 163 147 115 192 82 88 135 178 87 179 0.819 6.53 -142.6 80 100 84 99 207 81.6 60.170 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6322 863.0 8.6 scans 89% 55 m/z 0.48% 0.0961% 635 1.8 264 120402 0.114% 9706877 8900995 11512856 2-0 20: 55 69 41 83 39 42 57 98 70 97 56 43 80 53 54 79 40 51 68 38 0.988 7.71 7.7 100 100 99 99 98 55.3 4.405 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2162 982.3 8.1 scans 53% 43 m/z (134) 0.63% 0.0340% 1411 1.4 155 91434 3442347 3075615 2-6 9: 43 99 71 42 56 72 177 53 44 0.901 12.22 36.0 85 90 34 98 281 67.1 18.786 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6583 993.8 10.0 scans 77% 81 m/z 0.17% 0.102% 1486 2.1 244 324911 10374149 9530307 2-2 19: 81 110 53 39 79 67 41 68 65 77 51 82 95 66 50 40 54 111 52 0.925 13.22 30.2 95 96 89 99 110 73.2 8.988 -0.564 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9240 1000.8 8.8 scans 44% 57 m/z (59) 7.1% 0.00802% 1530 1.4 72 8095 810413 703042 1-4 5: 57 56 69 42 44 0.881 12.96 -174.0 62 89 80 94 110 7.4 1.063 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1040 ?? Decane 13.6235 1019.7 7.3 scans 42% 71 m/z 3.4% 0.00384% 1650 1.2 61 16961 388115 342239 2-3 5: 71 57 43 70 85 0.735 12.90 19.7 64 68 56 67 142 1.8 0.000 0.726 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1016 Limonene 13.8927 1027.0 8.1 scans 81% 68 m/z 0.26% 0.127% 1695 1.3 315 221793 12921916 11840676 2-5 20: 68 93 67 79 94 121 107 136 92 91 53 77 123 39 41 81 95 43 80 65 0.885 13.89 51.7 91 99 96 99 136 60.9 3.739 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0857 1032.2 13.8 scans 87% 79 m/z 0.14% 0.261% 1728 1.8 354 389200 26369120 24074165 2-3 20: 79 108 107 77 51 91 78 50 80 90 89 63 65 39 109 52 53 105 74 62 0.993 14.11 53.2 92 100 99 100 108 156.3 19.507 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4370 1041.7 9.8 scans 84% 91 m/z 0.15% 0.0884% 1787 1.7 234 383514 8930535 8059366 2-3 19: 91 92 120 65 63 39 89 51 62 50 64 90 93 38 66 49 74 87 76 0.969 14.44 56.9 91 100 98 100 120 76.0 10.575 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1002 ? Undecane 15.0840 1059.3 7.3 scans 49% 71 m/z (59) 2.4% 0.00934% 1896 1.3 89 23489 944205 852784 2-1 10: 71 57 43 85 70 113 127 84 72 126 0.962 16.59 -40.7 75 86 87 86 156 4.2 0.000 -1.503 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1649 1061.5 10.9 scans 85% 105 m/z 0.13% 0.135% 1911 1.4 288 426703 0.185% 13718773 12798250 18683144 2-0 20: 105 77 123 51 46 106 50 124 78 74 76 75 52 79 73 64 38 67 53 49 0.976 15.17 64.1 89 100 98 100 123 103.0 12.841 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN 98-86-2 ? Acetophenone 15.2558 1063.9 >11 scans 67% 77 m/z 0.29% 0.0526% 1926 1.6 197 196509 5320480 4971363 0-2 20: 77 120 105 43 51 78 107 106 121 50 74 63 75 39 125 96 65 76 89 62 0.956 15.29 -181.8 78 97 96 99 120 65.5 11.068 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4222 1068.4 9.1 scans 74% 95 m/z 0.14% 0.149% 1954 1.6 323 407955 15092870 14231289 1-3 20: 95 81 124 43 79 53 109 39 41 65 82 96 66 77 51 55 67 50 63 125 0.915 15.43 66.7 88 99 92 100 124 95.8 8.826 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1078 ?? 2-Nonenal 15.5120 1070.9 >10 scans 15% 84 m/z 6.2% 0.00373% 1969 2.0 61 9234 377075 353287 0-2 12: 84 57 83 71 55 42 54 73 111 41 59 68 0.611 18.83 18.2 62 69 51 68 122 1.9 0.000 -3.318 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1012 ?? Nicotine 16.2239 1090.2 7.3 scans 5.0% 133 m/z 13% 0.000292% 2090 1.2 17 4306 29477 29441 0-1 2: 133 103 0.406 25.78 -65.1 65 100 100 100 162 0.0 0.000 -9.554 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7753 1108.0 8.9 scans 72% 57 m/z (267) 0.43% 0.103% 2183 1.1 260 132915 0.111% 10482780 9486269 11209886 0-4 20: 57 41 56 43 69 98 55 70 44 68 95 82 96 42 39 67 81 54 45 114 0.891 16.82 85.6 74 96 90 97 124 11.8 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9559 1115.6 8.6 scans 81% 71 m/z 0.20% 0.122% 2214 1.2 304 280655 12339246 11055689 2-7 20: 71 95 43 110 58 128 41 85 55 84 69 57 72 70 39 68 56 42 113 111 0.964 16.97 90.9 82 99 96 100 128 73.4 5.846 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0527 1119.7 11.5 scans 83% TIC 0.13% 0.117% 2230 1.4 270 413975 11907769 10302038 1-4 0.983 17.05 93.7 82 99 97 100 122 89.4 10.978 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0722 1162.7 9.2 scans 68% 73 m/z 0.69% 0.0303% 2403 1.4 144 83838 3067624 2793897 11-2 20: 73 355 267 356 357 268 74 251 358 177 191 339 252 193 75 323 253 269 162 223 0.896 18.13 -169.0 79 99 86 98 355 62.0 18.482 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2854 1171.7 7.6 scans 11% 281 m/z (68) 12% 0.00137% 2440 1.2 33 4664 139076 120895 4-2 5: 281 282 207 283 265 0.576 12.25 18.6 76 85 34 89 281 17.4 27.665 6.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6992 1189.2 8.4 scans 69% 98 m/z 1.2% 0.0324% 2509 1.2 167 44756 3277985 2982047 2-1 20: 98 55 69 111 82 43 41 125 67 70 39 97 95 83 107 126 53 100 81 112 0.911 18.71 138.4 77 100 93 99 153 7.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9932 1201.6 8.0 scans 49% 57 m/z 1.5% 0.0150% 2559 1.2 116 38329 1523834 1450582 1-2 17: 57 43 71 85 41 127 56 99 42 55 70 98 126 109 111 113 155 0.762 29.94 -14.8 77 83 82 82 254 0.0 0.000 -10.948 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1171 1206.9 8.3 scans 52% 82 m/z 1.0% 0.0138% 2580 1.3 106 57518 1402940 1172516 1-10 7: 82 81 43 39 54 83 38 0.886 19.12 149.8 77 100 91 99 97 16.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2464 1212.3 10.0 scans 19% 119 m/z (57) 4.3% 0.00392% 2602 1.0 49 13228 396216 342158 5-1 4: 119 91 134 89 0.797 13.76 12.8 76 80 68 80 134 18.4 14.025 5.489 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7866 1235.2 8.1 scans 71% 57 m/z 0.21% 0.0994% 2693 1.3 277 269967 10044229 9081603 4-5 20: 57 45 41 75 87 43 56 89 72 59 101 100 71 85 69 58 60 44 73 55 0.862 19.81 167.7 77 98 93 99 144 6.1 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3385 1258.3 11.6 scans 71% 57 m/z (132) 0.82% 0.0377% 2787 0.6 144 70028 3811678 3445476 2-2 16: 57 85 43 41 99 56 55 70 127 69 83 155 72 126 86 140 0.958 20.32 0.6 91 96 93 95 170 11.5 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1034 ? Decanal 20.5221 1263.8 8.1 scans 77% 57 m/z 0.65% 0.0735% 2818 1.0 246 88491 7432109 6776870 3-1 20: 57 41 55 43 82 70 71 68 44 83 56 69 81 112 67 96 42 84 39 54 0.978 20.57 -143.2 79 99 98 99 138 12.6 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1032 UNK Hydrocarbon 20.56min 20.5227 1263.8 8.4 scans 80% TIC 0.63% 0.0820% 2818 0.8 251 91783 8288020 7651254 2-1 0.974 20.56 185.1 80 99 99 100 128 22.4 0.797 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1024 ? Hexadecane 20.7695 1271.2 8.1 scans 76% TIC 0.36% 0.0389% 2860 1.0 199 159981 0.0881% 3928623 3679815 8897216 2-0 0.936 33.32 4.2 76 76 87 82 226 0.0 0.000 -12.550 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9548 1276.8 10.6 scans 55% 94 m/z (137) 0.18% 0.0894% 2891 1.5 229 309278 9036407 8223266 2-2 11: 94 138 66 45 139 150 76 144 62 87 88 0.959 20.98 191.8 77 99 98 100 152 7.1 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9932 1277.9 8.8 scans 73% 137 m/z (83) 0.33% 0.146% 2898 0.9 325 171625 14784701 13558227 2-2 18: 137 152 109 123 81 67 91 79 41 93 119 55 53 153 96 60 124 110 0.783 21.00 192.6 76 99 75 98 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0080 1308.4 8.2 scans 67% 175 m/z 0.042% 0.261% 3070 1.0 456 1362821 26396118 23974343 4-3 20: 175 57 190 176 91 41 65 147 115 117 66 77 80 105 191 128 119 64 131 159 0.876 22.01 208.0 80 100 92 100 190 125.1 7.523 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8952 1335.0 10.1 scans 68% 69 m/z (71) 0.20% 0.125% 3220 0.9 298 288379 0.178% 12674875 11732991 17976214 3-0 16: 69 109 43 86 110 41 128 95 67 39 59 45 87 58 108 137 0.948 22.91 221.4 69 93 88 93 127 35.2 1.395 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.2465 1345.5 7.4 scans 71% 71 m/z (59) 0.56% 0.0442% 3280 1.1 196 103247 4472543 4163703 1-1 20: 71 57 85 43 41 70 113 127 99 84 55 69 56 155 126 83 42 86 169 112 0.977 23.86 -18.5 78 80 91 82 184 0.0 0.000 -0.616 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.5724 1355.3 18.5 scans 72% TIC 0.21% 0.219% 3335 0.2 346 264633 22213257 17941125 3-6 0.940 22.70 -120.0 77 96 95 98 158 22.9 0.438 0.876 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.5729 1355.3 19.2 scans 62% 60 m/z 0.20% 0.216% 3335 0.2 320 280808 21887921 18973961 2-7 20: 60 73 129 57 115 55 41 98 69 43 87 61 45 101 56 39 74 83 96 97 0.772 25.35 206.1 76 97 79 98 162 0.0 0.000 -1.781 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0948 1371.8 7.2 scans 59% 73 m/z 0.27% 0.0625% 3423 0.9 244 210348 6319931 6086412 1-3 19: 73 341 429 342 325 147 343 430 431 74 326 207 311 251 327 344 68 432 45 0.921 24.17 -152.0 79 99 89 99 429 70.6 8.403 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1032 ?? Dodecane 24.3362 1379.8 8.0 scans 29% 71 m/z 2.2% 0.00583% 3464 1.1 84 25725 588954 565820 1-1 16: 71 57 43 85 99 169 41 70 127 81 170 113 84 56 42 68 0.729 20.36 -20.4 62 74 72 72 170 7.6 0.000 3.978 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5588 1387.3 7.7 scans 81% TIC 0.26% 0.0776% 3502 1.0 286 220857 0.0792% 7839973 7674163 7998405 3-1 0.978 24.54 250.0 79 99 97 100 169 30.0 1.098 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7436 1393.4 11.3 scans 50% 43 m/z (57) 1.4% 0.0256% 3533 1.2 121 40479 2595113 2368819 1-2 20: 43 83 100 82 93 58 55 56 113 111 41 127 70 149 128 39 142 53 68 112 0.899 24.70 253.8 68 90 88 96 170 5.4 0.000 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2076 1408.9 8.1 scans 41% 43 m/z 0.28% 0.0305% 3611 0.9 157 202547 3087491 2836786 2-3 15: 43 145 103 57 85 116 84 115 127 86 99 42 155 74 44 0.550 25.24 -151.0 76 95 95 100 145 50.6 10.363 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1004 Nicotine 25.4868 1418.3 >23 scans 94% TIC 0.0076% 6.59% 3659 0.2 1535 7543856 665633759 639795988 0-2 0.997 25.89 261.3 80 99 98 99 162 438.3 8.151 -0.405 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0931 1471.9 6.6 scans 30% 221 m/z (118) 2.6% 0.00604% 3931 1.0 77 21613 610746 560636 1-2 17: 221 73 147 355 281 222 267 283 148 443 282 223 268 74 357 251 444 0.791 27.12 297.0 72 96 79 95 355 15.0 3.817 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1680 1474.4 8.1 scans 71% 57 m/z (163) 0.42% 0.0569% 3944 1.1 215 137335 0.0869% 5748571 5533077 8776028 1-0 19: 57 71 43 85 41 56 55 99 70 198 84 42 112 98 127 113 97 126 72 0.987 27.21 -1.4 95 96 97 98 198 21.6 1.014 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8375 1499.4 8.1 scans 71% 71 m/z 0.39% 0.144% 4057 1.2 345 146037 14551015 13060349 2-2 20: 71 57 43 41 85 70 93 55 69 91 79 133 107 169 168 135 105 99 81 56 0.874 27.84 314.1 65 83 88 96 212 11.4 0.110 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9591 1504.0 17.0 scans 74% 118 m/z (189) 0.25% 0.152% 4078 2.4 256 223259 15358704 14400781 1-1 18: 118 146 145 58 78 105 51 119 117 104 42 65 63 165 39 64 50 77 0.944 27.93 317.3 77 99 95 99 146 108.4 17.916 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2041 1513.2 7.9 scans 34% 121 m/z (85) 1.8% 0.0165% 4120 1.0 116 31189 1672471 1552632 2-6 17: 121 161 93 123 136 176 95 105 119 79 91 107 77 167 106 122 94 0.896 27.02 339.8 62 85 66 87 208 1.9 0.000 1.187 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6586 1530.3 8.2 scans 67% 43 m/z (163) 0.14% 0.163% 4196 0.9 360 389359 0.179% 16548847 15144193 18077204 0-2 19: 43 69 41 151 136 107 93 67 125 109 53 121 83 39 68 108 81 161 65 0.911 28.67 332.9 74 98 95 98 194 21.5 0.356 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0943 1546.7 7.7 scans 70% 71 m/z 0.15% 0.149% 4270 1.1 388 386042 0.229% 15052661 13922938 23126702 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 97 183 69 177 42 72 220 0.936 29.10 342.8 72 93 91 92 227 8.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5312 1563.1 9.2 scans 78% 281 m/z 0.014% 2.01% 4344 0.6 1237 3940675 203709141 197955758 2-1 20: 281 73 327 282 415 283 328 399 416 325 342 207 343 400 385 133 249 222 191 131 0.832 29.61 -150.0 79 98 72 98 503 225.9 3.337 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1022 ? Nicotyrine 29.6569 1567.8 11.4 scans 38% 158 m/z (177) 0.039% 0.539% 4365 0.9 563 1484622 54449221 52380481 1-1 20: 158 157 130 116 89 63 156 90 143 42 142 50 118 155 75 74 88 87 114 38 0.890 29.68 355.2 75 98 89 99 158 320.1 32.326 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6758 1568.5 8.2 scans 58% 177 m/z (151) 0.022% 0.753% 4369 0.6 753 2564603 76084104 68892471 3-2 20: 177 43 178 91 135 93 77 121 107 149 133 95 122 119 192 41 109 162 136 81 0.615 29.68 356.0 69 96 47 92 192 95.7 1.614 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7755 1572.3 7.9 scans 73% 123 m/z 0.020% 0.477% 4386 0.8 635 2778582 48242213 44366481 1-3 20: 123 43 135 124 91 107 95 79 109 77 39 81 93 53 97 67 125 105 193 165 0.930 29.77 358.3 78 98 91 98 193 52.6 0.686 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1699 1587.1 8.0 scans 64% 57 m/z 0.27% 0.0795% 4452 1.2 285 208109 0.132% 8033420 7430579 13330675 1-0 20: 57 85 71 43 99 41 84 55 113 70 56 127 69 98 155 183 112 141 83 42 0.928 30.38 -7.8 80 82 89 83 212 0.0 0.000 -0.207 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5028 1600.2 8.0 scans 86% 191 m/z 0.021% 0.519% 4509 1.0 660 2727668 52472867 47838471 2-6 20: 191 206 192 57 163 74 91 175 115 41 107 207 73 88 77 147 128 161 133 105 0.987 30.50 375.4 80 100 98 100 206 175.8 7.092 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8369 1614.2 8.0 scans 26% 124 m/z 0.84% 0.0164% 4565 1.0 117 68296 1661675 1554156 3-3 7: 124 137 180 59 138 54 181 0.831 30.81 384.8 65 86 57 87 180 37.0 9.922 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8806 1616.1 >13 scans 47% TIC 0.67% 0.0284% 4573 0.8 172 85875 2874480 2573461 1-1 0.755 30.88 0.1 86 88 65 93 204 16.2 0.892 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9385 1618.5 9.4 scans 7.7% 172 m/z (107) 4.2% 0.00338% 4582 1.5 49 13787 0.00411% 341727 330569 415069 1-0 2: 172 171 0.821 30.93 0.5 81 87 67 92 171 30.8 40.214 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2466 1631.4 11.2 scans 71% TIC 0.041% 0.754% 4635 0.5 679 1411869 0.931% 76157200 69857776 94021658 2-0 0.864 31.18 396.4 75 97 85 98 180 151.9 5.006 0.069 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 31.3228 1634.6 >10 scans 56% 71 m/z (163) 0.37% 0.180% 4648 1.2 383 152929 0.201% 18190444 18190444 20298983 0-0 20: 71 57 85 43 69 55 41 99 95 194 161 113 84 109 81 127 111 155 179 82 0.834 31.35 397.1 60 78 81 93 194 63.6 2.755 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5129 1642.6 10.5 scans 52% TIC 0.39% 0.0431% 4680 1.2 195 145639 4358345 4032247 1-1 0.731 31.52 -0.1 90 94 77 92 166 35.1 3.245 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9155 1659.6 8.0 scans 49% 71 m/z (137) 0.96% 0.0390% 4748 0.6 161 60058 3941901 3679249 2-1 18: 71 57 85 43 83 55 99 113 41 70 84 69 127 155 112 141 42 68 0.841 31.92 -0.1 74 83 73 88 219 4.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0572 1665.5 6.9 scans 64% 221 m/z 0.25% 0.0718% 4772 0.9 266 225020 7260228 6999234 1-2 20: 221 73 147 207 222 295 341 355 223 281 74 148 325 267 208 342 356 297 296 249 0.952 32.08 -0.9 97 97 94 98 355 44.1 2.741 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2337 1672.9 8.9 scans 63% 57 m/z (91) 0.38% 0.0964% 4802 1.5 241 151725 9738054 9040106 1-2 18: 57 43 71 85 41 55 183 56 79 99 105 113 77 42 67 182 70 100 0.927 32.24 -0.2 84 87 83 93 226 10.7 0.197 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4350 1681.4 12.6 scans 27% 57 m/z 0.99% 0.0183% 4836 0.9 119 58496 1852612 1671526 1-1 20: 57 85 197 56 41 55 99 196 109 114 113 83 127 110 111 86 100 58 97 93 0.587 32.44 -0.3 76 81 58 78 226 4.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6705 1691.3 8.9 scans 43% 205 m/z (153) 2.8% 0.0350% 4876 1.2 156 20453 3536383 3257878 1-4 11: 205 105 119 93 147 162 159 133 145 131 187 0.792 32.67 -0.2 87 96 84 95 220 7.7 0.243 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9279 1702.1 8.0 scans 36% 71 m/z 0.24% 0.0295% 4919 1.0 161 234834 2986582 2769792 4-5 9: 71 43 111 243 72 155 173 143 89 0.805 32.93 -0.2 92 96 84 94 243 26.4 2.705 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0843 1708.7 7.7 scans 37% 57 m/z (165) 3.4% 0.0133% 4946 1.0 106 16597 1347689 1257380 0-1 20: 57 83 97 70 85 55 111 69 41 56 84 54 98 39 99 82 112 140 67 110 0.913 33.09 -0.0 82 86 91 95 224 3.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 7.0 scans 67% 57 m/z (117) 0.39% 0.0519% 4983 1.0 224 147258 5242598 5231027 1-0 20: 57 71 43 85 41 55 99 56 70 69 42 113 226 84 98 112 83 127 140 58 0.977 33.37 -2.9 94 96 97 97 226 22.8 1.034 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8323 1727.4 7.8 scans 11% 217 m/z (105) 3.0% 0.00333% 5073 0.8 53 18781 337217 322329 1-1 2: 217 233 0.750 33.83 452.7 65 90 62 93 232 22.6 18.259 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8919 1728.2 7.6 scans 55% 71 m/z (233) 0.95% 0.0328% 5083 1.0 164 60715 3318404 2980486 9-1 18: 71 57 43 85 70 41 197 55 99 113 56 141 196 127 42 84 181 155 0.937 33.90 -0.1 89 94 93 98 197 28.8 3.098 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4002 1735.5 20.6 scans 89% TIC 0.011% 4.96% 5169 0.7 1464 5110070 6.09% 501891901 475523027 615028890 2-0 0.996 34.39 452.5 80 99 98 100 415 179.9 1.513 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8246 1741.6 15.8 scans 90% 91 m/z 0.030% 1.00% 5241 0.2 683 1874521 101981633 98222009 1-1 20: 91 155 199 90 65 184 44 89 120 92 63 106 137 77 39 51 64 156 200 78 0.990 34.79 452.6 81 100 99 100 199 186.6 7.476 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 35.2792 1748.1 >6 scans 22% 85 m/z 2.1% 0.00396% 5318 0.6 91 26465 0.0258% 400157 377562 2605541 1-0 13: 85 57 71 98 43 84 75 211 127 210 97 99 45 0.808 34.27 14.5 63 74 64 73 211 12.7 0.000 1.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1042 ?? Phytol 35.3477 1749.0 9.0 scans 53% 43 m/z (113 73) 0.76% 0.0737% 5329 0.7 218 76040 7449323 6547661 2-1 20: 43 69 56 55 41 95 70 111 83 82 123 84 96 67 109 97 137 112 98 140 0.916 35.35 451.6 67 94 89 97 196 22.6 1.075 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.5118 1751.4 11.8 scans 30% 83 m/z (71) 2.1% 0.0375% 5357 1.0 129 26912 3796927 3415266 1-2 14: 83 97 82 69 68 55 96 56 54 111 84 168 67 98 0.920 34.90 8.7 70 77 82 79 224 2.1 0.000 0.611 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6942 1754.0 8.7 scans 49% 123 m/z (71) 0.31% 0.0671% 5388 1.2 219 184543 6780781 6066195 4-1 16: 123 124 109 125 105 175 79 91 131 77 167 166 195 209 121 149 0.966 35.70 451.3 70 92 90 94 224 11.2 0.261 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9351 1757.4 9.4 scans 28% 91 m/z 0.37% 0.0486% 5429 1.2 189 156454 4910438 4441524 2-4 17: 91 148 155 184 65 105 92 44 119 133 120 79 107 89 63 147 93 0.648 35.94 451.0 62 85 46 82 238 2.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5183 1765.8 6.7 scans 46% 221 m/z 0.18% 0.127% 5528 0.9 353 319026 12825834 11885775 2-3 20: 221 73 147 207 295 281 222 369 223 341 296 148 74 208 282 327 297 355 342 370 0.935 36.58 449.3 78 99 96 99 369 51.7 2.147 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2001 1775.5 8.6 scans 12% 209 m/z (85) 2.9% 0.00720% 5643 0.8 73 19419 727291 669853 2-3 11: 209 224 181 165 210 193 166 152 103 194 178 0.782 37.20 449.2 67 92 77 97 224 22.7 9.634 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0626 1787.9 8.9 scans 44% 57 m/z 0.93% 0.0216% 5789 1.1 143 62112 2184257 1995653 1-1 20: 57 71 85 43 56 225 99 41 55 113 69 127 224 141 70 42 98 83 97 197 0.832 38.06 448.2 73 96 82 94 225 25.0 3.031 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5986 1795.5 10.5 scans 82% 73 m/z 0.021% 2.70% 5880 0.5 1336 2658560 272993487 261503446 2-3 20: 73 147 221 430 281 222 401 267 325 223 283 208 343 133 131 268 279 339 59 45 0.856 38.59 447.4 80 99 79 99 429 428.4 10.279 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1016 Octadecane 38.8436 1799.1 >14 scans 48% TIC 0.93% 0.0204% 5922 0.9 138 62022 0.0353% 2061231 1914500 3564946 1-0 0.812 38.91 -0.9 85 93 76 90 254 11.8 0.726 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8153 1912.2 9.6 scans 95% 95 m/z 0.028% 2.37% 6086 0.5 1310 2029399 239840113 233399925 3-1 20: 95 68 82 123 69 57 81 83 55 67 43 97 41 71 96 109 124 111 79 56 0.996 39.94 543.1 80 99 99 99 278 68.0 0.269 -0.121 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9086 1923.8 7.3 scans 70% 58 m/z 0.38% 0.0858% 6102 1.2 287 149544 8674133 7905396 1-4 15: 58 43 71 59 85 55 109 95 69 110 83 124 56 81 96 0.931 39.88 555.5 77 98 93 96 250 27.7 0.927 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3265 1975.6 8.1 scans 53% 149 m/z 0.18% 0.0425% 6173 1.1 189 306343 4301268 3960932 2-2 13: 149 150 223 104 76 167 205 65 224 105 132 50 151 0.956 40.31 600.7 78 98 93 98 223 39.6 4.410 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N406_R~1-N1110 ? Phytol 40.4068 1985.6 15.8 scans 43% TIC 1.3% 0.0161% 6186 1.6 165 43526 0.0385% 1635737 1635737 3888114 0-0 0.850 40.66 -31.6 79 89 77 87 278 17.0 1.053 -0.255 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6063 2010.3 7.6 scans 74% 73 m/z 0.25% 0.0963% 6220 1.1 291 224239 9729281 9066122 2-3 20: 73 221 147 295 207 281 222 223 296 282 148 74 297 355 369 208 283 341 401 267 0.949 40.63 630.2 76 94 95 99 369 45.5 2.453 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1254 Phytol 40.8684 2042.8 19.1 scans 68% TIC 1.0% 0.0480% 6265 1.4 219 57039 0.0765% 4851265 4555068 7725732 1-0 0.891 40.87 0.1 93 95 89 94 278 24.4 1.245 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1148 ?? UNK 40.98min 40.9706 2055.5 10.6 scans 22% 245 m/z (119) 2.0% 0.0150% 6282 1.3 96 28905 1524598 1422811 2-1 3: 245 246 260 0.671 40.98 670.0 61 87 63 89 260 9.9 1.067 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0302 2062.9 >7 scans 65% TIC 0.33% 0.0575% 6292 0.7 286 174261 5813854 5452863 1-0 0.960 41.00 677.1 75 96 94 97 262 22.1 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1144 Sclareoloxide 41.1949 2083.3 14.6 scans 95% 109 m/z 0.024% 5.08% 6320 0.3 1574 2390072 513898764 491145207 1-12 20: 109 191 81 95 123 121 177 43 107 229 69 93 137 79 135 67 91 55 41 71 0.996 41.13 695.5 81 100 99 100 262 322.7 4.201 0.066 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N407_R~1-N1146 ? Methyl-b-ionone 41.2734 2093.0 >10 scans 60% TIC 0.28% 0.0659% 6333 1.3 249 205565 6657201 6264408 0-2 0.896 41.29 702.6 76 97 91 97 229 19.0 0.584 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4718 2117.6 8.9 scans 83% 205 m/z 0.17% 0.367% 6367 0.5 533 326024 37087565 35532411 3-1 20: 205 57 217 175 189 177 220 55 232 41 91 191 261 203 109 77 192 135 206 161 0.935 41.49 -79.0 86 100 94 100 276 34.8 0.427 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8384 2138.9 12.3 scans 23% 125 m/z (257) 2.4% 0.0251% 6429 0.6 114 23264 2542960 2202822 1-2 14: 125 83 252 185 126 140 253 245 40 59 249 58 210 86 0.813 41.48 19.9 60 74 79 73 268 1.8 0.000 0.355 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0096 2148.6 7.9 scans 81% 74 m/z (155) 0.10% 0.226% 6458 1.0 423 570859 22869198 20953549 3-4 20: 74 87 43 143 55 75 41 227 57 270 69 59 129 83 101 239 88 97 185 199 0.993 42.01 746.6 78 99 98 99 272 9.7 0.053 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1258 Diterpene 42.0min 42.2120 2159.9 9.7 scans 93% 95 m/z 0.062% 1.92% 6492 0.5 1168 933096 194849079 178010001 3-2 20: 95 81 93 257 69 79 91 41 109 137 67 55 123 107 119 105 121 133 77 97 0.995 42.05 9.3 80 78 84 80 272 65.2 0.312 0.167 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3360 2166.9 8.0 scans 77% 73 m/z 0.072% 0.323% 6513 1.0 520 793801 32624526 31075552 1-3 20: 73 147 221 355 429 207 503 341 282 148 74 356 222 430 504 283 295 461 342 431 0.956 42.37 757.9 74 92 93 99 503 81.3 2.449 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.8561 2196.1 14.2 scans 15% TIC 3.6% 0.0111% 6601 1.7 95 15837 1123422 1056791 1-1 0.285 42.40 25.7 68 84 37 78 272 3.0 0.000 0.457 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.1601 2213.1 9.4 scans 57% 109 m/z (98) 0.45% 0.185% 6653 0.9 352 128608 0.230% 18774121 17647106 23227692 0-2 20: 109 93 204 119 105 81 133 91 79 107 41 55 161 95 106 69 67 108 120 77 0.709 43.15 0.3 74 75 57 85 272 43.1 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3874 2225.9 10.9 scans 9.0% 219 m/z (191) 2.0% 0.0110% 6692 1.8 75 28285 1111912 987475 1-2 9: 219 264 185 205 279 87 247 274 178 0.610 43.31 4.5 71 78 30 77 278 22.1 8.697 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4334 2228.5 >15 scans 69% 191 m/z (57) 0.64% 0.160% 6699 1.0 266 90487 16221524 14566632 4-1 20: 191 119 189 121 190 95 107 134 77 136 192 91 93 71 81 55 109 79 133 175 0.970 43.44 -0.2 82 82 81 91 272 13.9 0.271 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5444 2234.7 9.1 scans 86% 81 m/z (204) 0.26% 0.415% 6718 1.1 522 214666 41916338 37248080 1-4 20: 81 79 93 95 91 69 135 41 55 105 107 257 109 119 77 216 67 134 121 137 0.988 43.55 -0.5 97 99 98 99 272 55.8 1.145 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1242 ?? Kaur-15-ene, (5?,9?,10?)- 43.6577 2241.1 >7 scans 5.4% 148 m/z (84) 9.8% 0.00101% 6737 1.7 33 5906 102036 102036 0-0 5: 148 272 133 167 106 0.627 43.66 -0.1 61 76 38 72 272 7.9 5.807 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N419_R~1-N1158 Manool oxide 43.7823 2248.1 8.6 scans 93% 275 m/z 0.10% 0.775% 6758 0.7 777 531467 78298823 73394468 2-2 20: 275 257 81 192 177 95 137 55 67 69 43 123 109 191 41 107 79 82 121 93 0.993 43.83 810.5 81 100 99 100 275 191.5 6.077 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0415 2262.8 8.9 scans 21% 95 m/z (245) 4.8% 0.00731% 6802 1.1 72 12046 738345 639049 1-0 17: 95 91 149 121 192 122 77 110 39 80 81 205 175 83 189 215 66 0.834 44.05 -0.7 86 92 73 90 272 6.9 0.917 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1238 Trachylobane 44.1684 2270.1 8.4 scans 92% 81 m/z 0.13% 0.675% 6824 0.8 739 420882 68182965 64801347 2-1 20: 81 79 95 93 91 69 135 107 109 119 41 55 105 257 77 134 67 216 137 147 0.992 44.15 0.8 100 100 99 100 272 85.5 1.339 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5450 2291.7 9.0 scans 42% 191 m/z (137) 0.94% 0.0339% 6887 0.9 156 61593 3431515 3189075 1-1 8: 191 109 121 135 272 110 74 289 0.929 44.55 -0.5 91 95 87 94 272 16.8 1.169 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1234 Thunbergol 45.2776 2333.9 >11 scans 94% 257 m/z 0.024% 3.85% 7011 0.1 1649 2400968 389533295 362470433 1-0 20: 257 202 242 203 258 199 191 230 222 187 158 206 260 243 87 76 245 88 261 180 0.999 44.90 21.7 85 84 90 85 272 99.0 0.360 0.377 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.6295 2354.1 8.1 scans 27% 191 m/z (232) 3.5% 0.0119% 7071 1.6 95 16425 1207355 1168509 0-1 4: 191 82 192 290 0.882 45.56 3.7 91 95 82 93 290 10.5 1.220 0.066 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7835 2363.0 8.1 scans 66% 73 m/z 0.29% 0.0778% 7097 1.2 255 199703 7859409 7211800 2-1 20: 73 355 147 221 281 356 357 207 222 429 282 341 74 295 148 283 223 267 401 430 0.949 45.78 0.4 98 98 89 97 503 22.4 0.774 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N419_R~1-N1168 UNK Hydrocarbon ring structure 45.9140 2370.5 10.3 scans 85% TIC 0.079% 0.647% 7119 0.6 620 730562 65430884 57932372 1-6 0.945 45.98 890.8 80 100 96 99 204 224.6 13.112 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1230 ? C18:3-butanoate 46.1088 2381.7 11.2 scans 15% 79 m/z (245) 1.4% 0.0242% 7153 1.6 118 40055 2447212 2218423 2-3 19: 79 80 108 87 94 78 74 59 236 261 265 73 92 292 150 215 52 66 173 0.628 46.13 -1.5 76 91 53 83 292 11.2 0.907 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4447 2401.1 9.1 scans 56% 177 m/z (85) 1.2% 0.0362% 7209 1.2 160 45774 3655956 3390340 0-3 17: 177 95 195 69 107 109 121 137 93 81 125 133 105 178 91 135 148 0.939 46.49 -2.9 95 98 91 97 290 19.6 1.502 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1022 ?? Henicosane 46.6271 2411.6 8.1 scans 26% 71 m/z (169) 4.3% 0.00651% 7240 0.9 72 13270 657994 610481 2-1 19: 71 85 57 155 43 127 99 111 113 183 197 55 56 69 112 141 83 58 84 0.807 46.28 19.9 65 77 79 75 296 0.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7670 2419.6 8.1 scans 23% 74 m/z (173) 2.6% 0.00675% 7264 1.0 72 21918 682589 611590 3-3 9: 74 87 199 298 75 267 269 256 299 0.850 46.76 924.5 69 94 77 92 298 14.5 4.027 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8627 2425.1 8.6 scans 24% 191 m/z (189) 3.1% 0.00776% 7279 1.0 75 18670 784225 721381 2-1 3: 191 192 275 0.831 46.86 0.2 87 93 73 91 290 10.1 1.810 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2712 2448.6 8.5 scans 60% 134 m/z (187) 2.4% 0.0493% 7349 1.5 182 23279 4988322 4431594 2-5 10: 134 93 119 79 81 255 107 133 84 77 0.896 47.36 -4.9 67 70 76 82 272 3.4 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5061 2462.2 7.6 scans 29% 138 m/z 1.9% 0.00752% 7389 1.1 86 29019 0.00974% 759998 650850 983642 3-4 13: 138 120 121 57 43 70 56 111 168 92 98 306 122 0.680 47.50 949.4 74 96 64 94 168 13.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6897 2472.7 7.2 scans 51% 221 m/z (187) 1.7% 0.0146% 7420 1.1 112 33714 1475687 1352631 3-5 20: 221 73 147 295 222 369 207 281 223 297 282 279 370 341 148 355 356 357 74 267 0.913 44.32 1025.4 74 96 95 98 369 22.8 4.120 3.370 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9223 2486.1 8.4 scans 72% 134 m/z 0.64% 0.0635% 7459 1.2 233 89750 6417097 5867349 2-2 20: 134 119 81 84 69 95 79 191 55 43 135 109 41 93 178 148 121 107 91 105 0.887 47.95 -1.5 98 98 88 97 272 22.9 0.964 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N419_R~1-N1164 ? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8834 2541.4 13.0 scans 92% 95 m/z (73) 0.14% 1.12% 7623 0.9 745 390983 113563663 103371163 3-5 20: 95 81 109 69 71 107 67 191 83 79 135 149 82 68 122 96 119 91 94 151 0.997 48.96 990.6 79 100 100 100 290 56.3 0.571 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9288 2544.1 8.4 scans 13% 73 m/z (95 41) 0.54% 0.0460% 7630 0.9 182 107304 4645519 4150889 6-5 20: 73 355 429 221 281 356 430 357 295 341 74 401 223 415 327 431 265 296 385 282 0.846 48.95 993.7 66 94 82 96 429 47.5 6.806 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BQLD_R~1-N1054 ?? Manool 49.1531 2557.0 10.2 scans 53% 81 m/z (85) 4.1% 0.0268% 7668 1.1 122 14107 2713191 2376384 2-3 19: 81 137 95 121 41 69 109 275 257 79 67 149 123 94 111 107 163 77 122 0.879 45.16 1093.3 61 89 83 89 272 8.3 0.000 3.994 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN N419_R~1-N1166 ? Pimara-7,15-dien-3-one 49.9507 2602.8 8.6 scans 86% 151 m/z 0.61% 0.158% 7803 1.0 357 93781 15992627 15037251 2-2 20: 151 93 71 79 107 55 43 81 91 271 67 119 95 80 123 41 120 105 135 134 0.949 49.99 1025.4 79 99 95 99 286 22.9 0.413 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8504 2712.1 8.2 scans 70% 73 m/z 0.97% 0.0238% 8125 1.1 137 59317 2408906 2179598 2-4 20: 73 147 221 355 281 429 207 295 222 282 369 148 74 431 504 401 430 505 149 267 0.869 51.86 1081.2 77 98 88 98 503 18.8 1.876 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP1.FIN HCMIX_~1-N1030 ? Pentacosane 54.6609 2873.9 9.0 scans 33% 71 m/z (73) 5.9% 0.00532% 8601 1.4 60 9722 537728 515874 4-2 10: 71 85 43 55 99 113 70 72 98 141 0.801 54.79 -7.4 74 81 72 76 352 4.2 0.000 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1127 771.3 6.3 scans 84% 77 m/z (74) 0.067% 0.154% 38 4.0 266 743794 0.160% 9091835 8650592 9437901 0-3 15: 77 45 78 79 62 76 59 63 75 61 47 46 92 80 64 0.997 4.37 17.3 99 100 99 100 77 226.5 72.228 -0.258 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5455 834.7 16.6 scans 67% 207 m/z 0.55% 0.0401% 450 3.4 100 90437 2368284 2178194 2-1 20: 207 208 191 133 209 193 192 177 178 134 89 75 165 179 57 117 103 176 104 135 0.809 6.53 -142.1 80 100 81 99 207 79.0 62.035 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6500 863.4 9.1 scans 82% TIC 0.86% 0.0963% 637 1.8 180 58125 5685155 5399361 1-1 0.935 7.71 8.1 99 99 94 99 98 40.0 4.902 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2197 982.4 10.2 scans 46% 281 m/z (70) 0.47% 0.0702% 1412 1.7 153 107262 4146456 3709308 4-3 20: 281 43 282 71 99 283 41 108 55 265 191 193 39 42 207 251 93 134 83 285 0.719 12.22 36.1 89 95 58 99 281 86.0 31.708 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9187 1000.6 8.8 scans 36% 57 m/z (109 103) 6.5% 0.0146% 1530 2.0 73 7668 863787 745706 2-3 12: 57 44 56 67 81 55 69 42 82 85 68 100 0.861 12.96 -174.2 64 95 78 94 110 7.9 0.000 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2262 1008.9 10.3 scans 79% 81 m/z 0.24% 0.0992% 1582 1.9 184 204283 5852404 5496325 1-2 19: 81 110 53 39 67 79 41 68 65 82 77 51 111 55 50 40 109 52 63 0.938 13.22 45.3 92 98 92 97 110 51.8 7.891 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1040 ?? Decane 13.6341 1020.0 7.4 scans 57% 71 m/z (94) 2.9% 0.0100% 1651 1.3 70 17135 590650 544308 2-3 9: 71 57 43 70 113 56 85 84 72 0.895 12.90 20.0 69 75 81 74 142 2.1 0.000 0.736 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1016 Limonene 13.8980 1027.1 8.0 scans 85% 68 m/z (119) 0.44% 0.119% 1696 1.2 228 113800 7035520 6347924 2-6 20: 68 93 67 79 136 94 121 107 92 91 53 77 39 41 81 80 95 123 65 51 0.932 13.89 51.8 89 99 98 99 136 45.5 3.998 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.0799 1032.1 10.6 scans 86% 79 m/z 0.21% 0.222% 1727 1.7 276 238376 13135052 12120674 2-3 20: 79 108 107 77 51 91 78 80 50 90 89 65 63 109 39 52 53 105 62 74 0.983 14.11 53.1 92 100 99 100 108 122.7 19.786 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4388 1041.8 10.0 scans 50% 91 m/z 0.31% 0.0616% 1787 1.6 147 158105 3635157 3175552 2-4 12: 91 120 92 65 63 39 93 51 50 62 86 61 0.956 14.44 57.0 90 99 95 99 120 48.9 11.030 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1696 1061.6 >11 scans 72% 105 m/z 0.15% 0.160% 1911 1.0 253 319188 9448046 9022928 2-0 20: 105 77 123 46 51 50 106 78 74 95 110 67 76 75 52 38 79 104 64 40 0.846 15.17 64.2 88 99 97 99 123 88.2 12.095 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN 98-86-2 ? Acetophenone 15.2747 1064.4 9.1 scans 87% 105 m/z 0.027% 0.804% 1929 0.9 598 1815502 47463039 43285883 1-4 20: 105 77 120 51 50 106 78 43 74 121 76 75 63 39 52 91 65 62 38 89 0.993 15.29 -181.3 79 98 98 99 120 209.7 12.287 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4246 1068.5 8.7 scans 73% 95 m/z 0.12% 0.243% 1955 1.4 317 398006 14346753 12560585 2-7 19: 95 81 124 79 43 109 53 39 41 82 65 96 55 66 67 80 63 125 52 0.943 15.43 66.8 85 96 89 98 124 95.2 9.020 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1002 Undecane 16.5929 1100.2 9.7 scans 60% 57 m/z (59 77) 1.0% 0.0467% 2152 1.1 131 49724 2755137 2441923 6-1 16: 57 71 43 85 41 70 127 55 98 99 112 156 67 93 126 170 0.837 16.59 0.2 83 93 85 91 156 7.4 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7759 1108.0 9.3 scans 58% 57 m/z (85) 0.87% 0.0759% 2184 1.0 162 57947 4482695 4035802 2-3 18: 57 41 56 55 70 44 82 98 68 69 96 95 67 42 54 114 45 72 0.903 16.82 85.6 71 93 85 92 124 3.7 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9612 1115.8 8.8 scans 81% 71 m/z 0.14% 0.266% 2215 1.0 336 355301 15744375 14280095 2-8 20: 71 95 43 110 58 128 41 85 55 84 57 69 72 70 39 68 56 113 42 111 0.951 16.97 91.1 82 100 99 99 128 82.8 6.085 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0463 1119.4 9.5 scans 74% 91 m/z 0.12% 0.182% 2229 1.4 268 418259 10772032 9375971 10-3 20: 91 92 122 65 93 77 63 51 89 78 39 103 104 123 50 62 38 90 74 66 0.954 17.05 93.4 82 100 97 100 122 89.4 11.157 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0663 1162.5 8.9 scans 73% 73 m/z 0.41% 0.0797% 2402 1.6 182 121013 4706405 4310713 2-1 20: 73 355 267 356 357 269 268 193 74 339 162 281 170 154 323 223 75 359 207 179 0.888 18.13 -169.2 79 99 85 99 355 80.9 19.816 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1018 Pyranone 18.1815 1167.4 10.7 scans 73% TIC 0.18% 0.169% 2421 0.6 296 270226 0.252% 9972757 9927691 14864694 1-0 0.901 18.22 123.9 80 100 89 99 144 135.5 20.899 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN M4942-N1002 ? Pyranone 18.1815 1167.4 10.4 scans 83% 144 m/z (355) 0.18% 0.285% 2421 0.7 315 280571 16816690 15581090 2-4 14: 144 43 101 44 72 55 45 115 42 58 53 102 146 116 0.994 20.04 -223.1 78 99 98 99 144 137.5 19.003 -1.861 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1266 ? Octanoic acid 18.4784 1179.9 9.7 scans 50% 60 m/z (70) 4.0% 0.0155% 2472 0.6 78 12509 0.0166% 916654 868386 979182 0-5 14: 60 85 101 97 69 87 73 55 115 57 45 88 108 86 0.942 22.03 -129.2 73 96 94 97 175 0.0 0.000 -3.556 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7033 1189.4 8.5 scans 70% 98 m/z 1.1% 0.0546% 2510 1.1 166 43186 3225492 3087411 1-1 20: 98 69 55 111 82 43 41 67 125 70 97 39 126 107 95 83 79 53 100 81 0.936 18.71 138.6 78 100 95 99 153 7.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9955 1201.7 8.8 scans 52% TIC 1.4% 0.0213% 2559 0.9 113 34461 0.0276% 1256740 1193653 1628038 0-1 0.743 29.94 -14.7 74 83 76 81 254 0.0 0.000 -10.945 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1177 1206.9 8.2 scans 52% 82 m/z 0.97% 0.0183% 2580 0.9 98 51654 1083954 1044492 1-1 8: 82 81 43 54 39 53 97 38 0.836 19.12 149.8 77 100 87 99 97 16.2 2.701 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.2435 1212.2 9.1 scans 24% 119 m/z (57) 3.7% 0.00608% 2601 1.2 49 13564 358614 331978 2-1 4: 119 91 134 89 0.876 13.76 12.7 76 81 67 80 134 19.6 15.630 5.486 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 19.5062 1223.3 >18 scans 25% 122 m/z (60) 1.8% 0.0303% 2646 1.2 80 27840 1790538 1566224 2-3 6: 122 105 77 51 49 37 0.756 20.03 152.6 71 95 91 94 122 43.8 29.895 -0.523 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7919 1235.4 8.2 scans 79% 57 m/z 0.20% 0.153% 2694 1.2 270 249387 9045775 8244394 7-4 20: 57 45 41 75 87 56 89 72 101 100 43 59 85 71 60 73 44 58 55 132 0.964 19.81 167.9 77 97 92 100 144 6.5 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.1319 1249.8 11.9 scans 30% 57 m/z (53) 6.3% 0.00717% 2752 1.0 49 8021 423012 381903 0-2 11: 57 43 56 59 84 97 82 98 39 42 125 0.743 33.32 -17.2 77 88 82 89 226 0.0 0.000 -13.187 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3385 1258.3 10.9 scans 66% 57 m/z (109) 0.77% 0.0569% 2787 0.8 138 65027 3361490 3024068 3-2 19: 57 71 85 43 41 84 55 56 69 141 70 83 101 99 72 58 86 140 132 0.938 20.32 0.6 88 95 93 94 170 9.7 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5227 1263.8 8.4 scans 56% 57 m/z 1.4% 0.0436% 2818 1.1 147 36038 2572877 2281739 4-2 19: 57 55 41 82 68 70 71 83 56 44 81 112 67 69 88 45 96 84 42 0.845 20.56 185.1 73 95 84 99 128 13.5 0.844 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1034 ? Decanal 20.5227 1263.8 8.4 scans 66% 57 m/z (104) 1.3% 0.0598% 2818 1.1 159 36192 3531453 3131845 4-2 19: 57 55 41 82 68 70 71 83 56 44 81 112 67 69 88 45 96 84 42 0.973 20.57 -143.2 72 92 94 99 138 8.4 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9483 1276.6 >8 scans 72% TIC 0.15% 0.0838% 2890 0.0 242 326772 0.226% 4947630 4947630 13331036 0-0 0.945 20.98 191.6 78 98 97 99 152 5.7 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2252 1284.9 8.8 scans 9.4% 281 m/z 1.6% 0.00918% 2937 1.7 59 29867 541792 459724 3-5 13: 281 282 193 283 251 191 266 265 207 52 284 133 223 0.673 12.25 131.8 75 97 63 96 281 45.4 58.381 8.974 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0098 1308.4 8.6 scans 75% TIC 0.037% 0.483% 3070 1.0 453 1334183 28529638 25674234 3-3 0.891 22.01 208.0 80 100 92 99 190 123.7 7.449 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1042 ?? Phytol 22.2996 1317.1 8.4 scans 24% 57 m/z (119) 2.9% 0.0174% 3119 1.2 91 17212 1028867 954128 1-0 20: 57 71 43 58 85 94 70 56 59 83 153 39 84 72 96 141 113 112 115 80 0.508 35.35 19.7 61 78 64 80 196 0.0 0.000 -13.047 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9012 1335.2 8.2 scans 67% 69 m/z (71) 0.12% 0.287% 3221 1.0 348 402699 16942939 15668777 3-3 9: 69 109 86 110 67 128 95 59 108 0.944 22.91 221.6 70 94 86 93 127 42.2 1.473 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.3829 1349.6 >18 scans 78% 73 m/z 0.15% 0.510% 3303 0.1 369 324015 0.607% 30116205 27694926 35805038 2-0 20: 73 60 57 55 41 115 129 43 87 98 101 61 45 42 56 83 96 130 97 84 0.947 22.70 -125.7 77 97 94 99 158 25.3 0.469 0.687 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1006 Tridecane 23.8345 1363.2 10.8 scans 42% 57 m/z (110 123) 0.70% 0.0697% 3379 1.0 147 71472 4115336 3717987 1-2 18: 57 85 71 41 184 55 56 70 44 42 58 98 115 128 86 153 142 175 0.629 23.86 -0.8 83 96 75 94 184 16.6 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.0889 1371.6 7.3 scans 74% 73 m/z 0.12% 0.217% 3422 1.0 338 391211 12806680 11977765 2-4 19: 73 341 429 342 325 147 343 430 326 74 207 327 432 75 148 191 45 251 295 0.938 24.17 -152.2 80 99 91 99 429 101.1 8.930 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5470 1386.9 8.3 scans 84% 71 m/z (87) 0.22% 0.199% 3500 1.0 296 228533 11789579 10778646 2-4 20: 71 57 85 43 41 84 70 55 127 113 99 56 69 155 169 42 86 126 58 112 0.993 24.54 249.6 77 97 98 100 169 30.9 1.094 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6958 1391.9 8.7 scans 52% 43 m/z 0.84% 0.0287% 3525 1.0 138 60023 0.0402% 1698347 1696940 2371273 1-0 20: 43 83 55 82 41 56 113 85 69 111 58 142 39 128 70 71 81 93 67 68 0.834 24.70 252.3 71 94 79 96 170 2.5 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1032 ?? Dodecane 25.1851 1408.2 9.4 scans 58% 43 m/z (141) 0.48% 0.0667% 3608 1.0 155 104945 3939122 3512884 2-3 16: 43 71 57 85 127 70 99 42 113 115 86 56 155 212 72 169 0.823 20.36 8.0 66 70 82 75 170 5.4 0.000 4.827 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.4384 1416.7 15.4 scans 94% 84 m/z 0.0081% 5.29% 3651 0.4 1198 6210529 312524253 295126299 1-3 20: 84 133 162 161 119 42 92 118 130 65 117 51 78 91 63 163 77 55 105 104 0.997 25.89 259.7 78 97 95 97 162 321.0 7.179 -0.454 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0087 1435.7 7.7 scans 6.1% 160 m/z (57) 5.8% 0.00331% 3747 1.4 39 8580 195550 170500 3-1 3: 160 117 146 0.665 27.08 -187.1 66 94 66 95 160 17.2 19.432 -1.068 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4732 1451.2 7.9 scans 35% 189 m/z (73) 3.9% 0.0149% 3826 1.0 82 12653 881162 792621 6-4 11: 189 204 171 148 152 173 190 116 159 145 130 0.571 45.98 -28.5 61 74 44 77 204 28.8 12.244 -19.502 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1036 ?? Contamination 18.09min 26.5240 1452.9 7.6 scans 12% 73 m/z 4.2% 0.00394% 3834 0.9 46 12014 232965 221735 1-3 14: 73 355 267 356 401 268 489 269 358 251 281 402 75 249 0.557 18.09 411.3 63 97 70 95 355 22.9 24.670 8.432 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0913 1471.9 6.6 scans 60% 221 m/z 0.80% 0.0345% 3931 0.9 144 63071 2039530 1945332 2-1 20: 221 73 147 281 222 355 267 223 282 443 74 149 268 283 148 191 323 249 265 207 0.903 27.12 297.0 77 98 87 97 355 27.6 3.678 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 8.0 scans 72% 57 m/z (95) 0.47% 0.0855% 3944 1.1 196 107084 0.119% 5044521 4697534 7019439 2-0 19: 57 71 43 85 41 55 56 99 198 70 84 42 98 112 127 39 126 83 72 0.968 27.21 -1.3 93 95 97 99 198 21.7 1.218 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1032 Myosmine 27.9532 1503.8 12.3 scans 89% 118 m/z 0.023% 1.84% 4077 0.9 772 2122570 108979428 98923073 3-4 20: 118 146 145 105 78 51 119 104 147 91 117 63 65 42 77 39 64 50 58 76 0.990 27.93 317.1 80 99 98 99 146 334.1 18.726 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6575 1530.3 8.3 scans 67% 43 m/z (166) 0.13% 0.269% 4196 1.0 339 380011 15875893 14434766 5-2 18: 43 69 41 136 107 67 125 109 53 121 83 81 39 68 108 161 65 194 0.959 28.67 332.9 76 99 96 98 194 22.4 0.439 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0955 1546.7 7.6 scans 70% 71 m/z (206) 0.18% 0.243% 4270 1.0 338 270570 0.387% 14367564 13313026 22827924 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 177 97 84 183 69 220 140 42 0.984 29.10 342.8 72 94 96 96 227 7.7 0.051 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5111 1562.3 7.5 scans 77% 73 m/z 0.067% 0.530% 4341 1.0 524 754105 31308699 29728486 2-2 20: 73 281 147 327 282 415 341 503 283 221 328 399 148 504 416 329 74 325 505 417 0.969 29.61 -150.8 79 99 95 99 503 86.5 2.728 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1022 ? Nicotyrine 29.6539 1567.7 11.3 scans 20% 158 m/z (177) 0.066% 0.425% 4365 0.9 382 765641 25114373 23410154 3-2 20: 158 157 130 116 89 156 90 143 142 76 74 88 38 114 101 61 49 208 75 100 0.813 29.68 355.1 71 97 80 97 158 229.8 36.094 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7779 1572.4 8.2 scans 76% 123 m/z 0.016% 0.899% 4386 0.8 658 2993170 53041367 48781080 1-3 20: 123 43 135 124 107 91 95 79 109 77 39 67 81 97 93 105 53 193 125 165 0.927 29.77 358.4 78 98 91 98 193 55.8 0.719 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1723 1587.2 7.8 scans 59% 57 m/z 0.29% 0.111% 4452 1.0 263 171217 0.182% 6551957 6551957 10735613 0-0 20: 57 71 85 43 41 99 55 113 56 70 84 127 69 98 155 83 141 183 42 97 0.908 30.38 -7.7 80 84 89 83 212 0.0 0.000 -0.205 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5229 1601.0 8.1 scans 89% 191 m/z 0.016% 0.987% 4512 0.9 695 3041899 58230996 56007532 1-3 20: 191 206 57 163 74 91 175 115 41 107 73 207 77 88 128 147 161 105 117 121 0.992 30.50 376.2 80 100 99 100 206 187.1 7.243 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8417 1614.4 8.5 scans 31% 124 m/z (71) 1.0% 0.0344% 4566 1.0 123 50292 2029157 1904365 1-2 4: 124 137 180 138 0.944 30.81 385.0 72 94 93 98 180 33.0 7.197 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8895 1616.4 10.1 scans 48% 161 m/z (171) 1.0% 0.104% 4574 1.2 191 50387 6139717 5659380 2-1 20: 161 105 160 106 118 54 159 132 131 80 78 107 79 104 51 145 119 117 134 52 0.832 30.88 0.4 73 78 51 83 204 17.7 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9320 1618.2 9.1 scans 5.0% 171 m/z (182) 4.5% 0.00518% 4582 1.4 44 11159 0.00652% 305688 289350 384594 3-0 7: 171 172 179 178 222 173 170 0.938 30.93 0.2 77 80 70 87 171 27.5 38.603 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2602 1632.0 12.2 scans 80% TIC 0.032% 1.63% 4637 0.5 751 1558567 1.95% 96324734 91339125 115024422 1-0 0.942 31.18 397.0 77 96 92 98 180 161.1 4.600 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5105 1642.5 9.1 scans 73% 43 m/z (197) 0.31% 0.136% 4679 1.2 238 162144 8048481 7714003 1-1 20: 43 98 111 85 166 55 57 127 41 151 83 68 84 99 69 67 107 123 39 81 0.979 31.52 -0.2 95 96 96 98 166 41.5 3.031 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7957 1654.5 8.8 scans 25% 193 m/z (43) 0.81% 0.0245% 4728 0.9 102 62057 1448158 1351186 3-2 5: 193 194 208 151 175 0.774 31.80 0.0 63 72 34 77 208 23.5 5.300 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9149 1659.5 8.5 scans 53% 71 m/z (109) 0.90% 0.0743% 4748 0.6 167 55591 4384891 4111458 2-1 20: 71 57 85 83 43 55 99 69 113 41 127 70 84 155 56 112 111 126 42 125 0.827 31.92 -0.2 80 88 88 91 219 7.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0601 1665.6 6.7 scans 62% 221 m/z 0.20% 0.126% 4772 1.1 270 241428 7449260 7013674 2-2 20: 221 73 147 295 207 222 355 341 223 281 296 148 325 74 267 356 342 297 208 357 0.945 32.08 -0.8 97 97 92 98 355 46.4 2.949 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2337 1672.9 8.8 scans 33% 57 m/z 0.37% 0.0705% 4802 1.6 170 135203 4163822 3981911 1-2 18: 57 43 71 85 41 99 105 183 56 55 113 70 182 42 100 141 97 211 0.529 32.24 -0.2 84 90 56 87 226 9.7 0.328 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4297 1681.2 11.8 scans 36% 85 m/z (159) 0.79% 0.0674% 4836 0.9 149 63322 3979424 3736210 1-1 16: 85 57 71 56 196 55 113 204 198 84 42 127 193 72 148 177 0.830 32.44 -0.5 71 85 75 83 226 5.1 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6753 1691.5 8.8 scans 68% 205 m/z (191) 1.0% 0.156% 4876 1.0 261 49440 9206973 8836373 1-1 20: 205 91 119 105 43 93 107 159 79 162 147 77 187 131 41 81 133 121 106 146 0.911 32.67 -0.0 94 96 92 98 220 15.3 0.343 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8624 1699.3 7.9 scans 17% 70 m/z (149) 1.5% 0.0183% 4908 1.4 94 32274 0.0231% 1084085 1084085 1362597 0-0 3: 70 201 172 0.700 32.87 -0.2 66 80 68 82 186 4.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9303 1702.2 7.8 scans 61% 71 m/z 0.10% 0.130% 4920 0.9 255 471169 7708208 6774296 6-8 14: 71 43 159 111 243 56 155 72 173 143 89 73 244 229 0.937 32.93 -0.1 96 96 89 99 243 39.3 2.367 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0861 1708.7 7.2 scans 25% 97 m/z 2.8% 0.0101% 4946 1.0 97 17606 596245 565613 0-1 19: 97 83 57 55 69 70 43 56 85 71 84 98 82 67 112 68 125 194 152 0.669 33.09 0.0 87 94 71 91 224 2.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3051 1717.9 7.1 scans 66% 57 m/z 0.29% 0.0858% 4983 1.1 237 169651 5065445 4799511 5-1 20: 57 71 43 85 41 55 99 56 70 113 226 69 84 42 98 112 154 169 83 141 0.945 33.37 -2.9 93 97 92 96 226 26.8 1.278 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8902 1728.2 7.8 scans 45% 71 m/z 0.88% 0.0343% 5083 1.1 148 57299 0.0346% 2025028 1875021 2040946 6-1 18: 71 57 43 70 41 197 55 99 196 113 56 169 127 141 86 225 42 84 0.822 33.90 -0.1 91 98 88 96 197 28.4 3.689 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2762 1733.7 7.4 scans 31% 59 m/z (173) 1.0% 0.0257% 5148 0.8 116 48030 1516863 1395656 1-1 20: 59 57 43 72 44 41 71 78 142 98 182 123 121 42 86 39 211 69 79 53 0.895 34.27 0.1 67 71 55 88 211 14.3 1.532 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3990 1735.5 12.9 scans 95% 355 m/z 0.0099% 7.03% 5169 0.3 1503 5082944 414940025 391164766 2-2 20: 355 73 147 401 222 207 402 403 385 191 133 131 249 45 251 59 268 145 329 279 0.992 34.39 452.5 80 100 98 100 415 182.1 1.470 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8300 1741.6 15.5 scans 88% 91 m/z 0.028% 1.63% 5242 0.2 663 1762206 96652132 88668364 1-2 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 77 39 64 200 156 51 134 0.988 34.79 452.6 80 100 98 100 199 185.6 7.838 0.044 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9032 1742.7 7.7 scans 21% 68 m/z (176) 1.9% 0.0274% 5254 1.3 111 26541 1617341 1434853 2-3 2: 68 224 0.863 34.90 -0.0 86 93 86 95 224 14.8 1.773 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6930 1754.0 9.0 scans 60% 123 m/z (71) 0.17% 0.194% 5388 1.0 278 289460 11473148 10280051 3-3 20: 123 43 193 124 109 105 125 79 175 95 133 77 91 131 121 194 149 147 151 209 0.979 35.70 451.3 71 93 92 94 224 14.5 0.273 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9362 1757.5 18.3 scans 58% TIC 0.29% 0.128% 5429 0.8 274 170305 0.225% 7603706 7061861 13272049 2-0 0.853 35.94 451.1 75 96 80 96 238 9.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4959 1765.5 6.9 scans 28% 221 m/z 0.22% 0.150% 5524 1.1 287 223530 8860402 8349485 1-6 18: 221 73 147 295 207 281 222 369 223 341 148 296 74 327 208 282 371 370 0.919 36.58 449.0 77 98 93 98 369 44.6 2.404 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2031 1775.6 8.1 scans 12% 209 m/z (71) 1.8% 0.0155% 5643 0.9 85 28055 917298 852012 3-2 6: 209 224 181 165 167 166 0.723 37.20 449.3 68 93 77 98 224 27.4 10.338 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3017 1777.0 8.6 scans 61% 71 m/z (105) 0.41% 0.154% 5661 0.9 241 122926 0.212% 9107831 8128045 12505219 0-6 20: 71 85 57 43 99 113 55 127 41 69 84 70 169 155 56 126 111 141 83 211 0.963 38.91 -23.0 81 86 95 85 254 3.3 0.000 -1.608 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0573 1787.8 8.3 scans 61% 57 m/z (210) 0.45% 0.0989% 5788 1.1 210 111431 5835636 5465017 2-2 18: 57 71 85 43 56 41 225 99 55 224 113 69 127 70 141 155 239 83 0.961 38.06 448.1 76 98 98 99 225 36.9 3.099 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5780 1795.3 11.0 scans 96% 73 m/z 0.012% 5.40% 5877 0.6 1412 3989916 319109427 299876307 2-3 20: 73 147 281 430 207 222 357 295 148 282 343 325 208 133 265 205 415 296 326 249 0.997 38.59 447.2 80 99 98 100 429 419.9 8.851 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4540 1867.4 8.0 scans 26% 74 m/z 0.75% 0.0354% 6024 0.9 133 67222 2091335 1904483 3-3 14: 74 87 143 75 102 228 213 60 185 225 211 73 88 199 0.686 39.45 505.9 76 98 70 97 256 19.9 2.230 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.8425 1915.6 13.6 scans 95% 95 m/z 0.020% 7.17% 6091 0.2 1489 2510672 7.29% 423312769 409354105 430014376 1-4 20: 95 68 82 123 69 57 81 55 83 67 43 97 41 71 109 96 124 111 79 137 0.998 39.94 546.5 81 100 100 100 278 87.3 0.344 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9133 1924.4 6.7 scans 68% 58 m/z 0.25% 0.176% 6103 1.3 335 195158 10390562 9290453 1-3 15: 58 43 71 59 55 109 95 41 110 124 123 81 56 250 96 0.954 39.88 556.1 77 98 96 98 250 34.2 1.043 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3218 1975.0 7.8 scans 67% 149 m/z 0.061% 0.191% 6172 0.9 310 816902 11311030 10599194 2-2 18: 149 150 223 104 76 167 56 65 205 121 105 93 132 50 224 122 39 77 0.961 40.31 600.1 78 99 96 98 223 63.8 4.225 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6022 2009.8 7.5 scans 60% 221 m/z 0.36% 0.0971% 6220 1.0 226 139856 5728571 5478920 1-3 20: 221 73 147 295 207 281 222 369 355 296 148 282 297 370 283 74 341 223 208 267 0.922 40.63 629.7 75 95 92 99 369 36.8 2.648 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1254 Phytol 40.8484 2040.3 7.6 scans 50% 82 m/z (195) 1.2% 0.0721% 6261 1.3 185 40408 4255597 4084971 1-2 13: 82 81 95 68 123 79 67 109 96 124 278 53 94 0.851 40.87 -2.4 91 96 90 97 278 22.0 1.412 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BQLD_R~1-N1056 Homosalate 41.0030 2059.5 8.8 scans 66% TIC 0.30% 0.136% 6287 1.0 281 168007 8025739 7117785 2-1 0.939 41.00 673.7 80 99 99 100 262 36.0 1.634 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N407_R~1-N1144 ? Sclareoloxide 41.1016 2071.7 9.3 scans 54% 109 m/z (196) 0.77% 0.162% 6304 1.0 256 65140 9573644 8877420 0-2 18: 109 95 191 262 123 107 121 177 229 136 137 91 122 124 192 247 149 189 0.810 41.13 683.9 76 99 87 99 262 46.5 3.295 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2439 2089.4 8.3 scans 71% TIC 0.24% 0.219% 6328 1.1 349 206394 12951864 12409701 1-2 0.881 41.26 -1.6 98 99 89 98 264 24.9 0.509 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4393 2113.6 9.0 scans 50% TIC 0.51% 0.162% 6361 0.5 257 98252 9566629 8748620 3-1 0.745 41.49 -83.0 80 96 69 95 276 19.7 0.000 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8348 2138.7 9.0 scans 47% 57 m/z (75) 1.1% 0.0601% 6428 1.3 154 42465 0.0691% 3545563 3153482 4075994 3-0 20: 57 71 43 84 85 83 41 55 70 69 99 97 125 121 77 98 126 81 79 124 0.947 41.48 19.7 64 66 85 76 268 0.0 0.000 0.352 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0326 2149.9 9.2 scans 94% 74 m/z 0.013% 2.88% 6462 0.5 1122 3612531 170145553 164907037 2-1 20: 74 87 143 55 43 75 227 41 270 69 57 129 239 83 59 185 97 101 171 241 0.992 42.01 747.9 80 99 99 99 272 27.4 0.060 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1802 2158.1 9.2 scans 34% 81 m/z (57) 4.3% 0.0333% 6487 0.6 117 11666 1964737 1916180 1-1 19: 81 159 137 91 123 69 258 252 41 67 257 133 122 55 161 149 134 135 77 0.895 42.05 7.5 75 79 73 80 272 6.9 0.000 0.135 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.1802 2158.1 9.2 scans 8.8% 81 m/z 4.7% 0.00501% 6487 0.6 59 10640 295669 288362 1-1 19: 81 159 137 91 123 69 258 252 41 67 257 133 122 55 161 149 134 135 77 0.253 42.40 -12.3 76 83 19 77 272 6.5 0.000 -0.219 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3218 2166.1 9.0 scans 87% 73 m/z 0.065% 0.637% 6511 1.2 530 771539 37609324 35399280 2-2 20: 73 147 281 221 355 429 503 207 341 282 283 222 430 148 74 504 356 415 295 431 0.984 42.37 757.1 74 91 95 99 503 85.6 2.611 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2847 2220.1 11.8 scans 3.6% 263 m/z (157) 7.6% 0.00194% 6673 1.8 25 6594 114764 105077 4-0 2: 263 264 0.250 43.31 -1.3 63 84 12 78 278 10.5 17.972 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 43.5232 2233.5 7.5 scans 19% 70 m/z (85) 3.7% 0.00747% 6714 1.3 61 13428 441010 430409 0-1 6: 70 107 145 115 135 173 0.684 43.55 -1.7 62 76 38 71 272 5.6 0.000 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8520 2252.0 8.3 scans 49% 71 m/z (220) 1.3% 0.0419% 6770 1.0 136 38404 2472333 2287572 1-3 19: 71 85 43 127 126 41 113 69 239 70 84 268 169 266 83 155 141 238 128 0.940 43.94 -4.7 63 64 86 83 282 6.0 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1238 ?? Trachylobane 44.1359 2268.2 8.0 scans 20% 135 m/z (136) 12% 0.00757% 6818 1.0 59 4169 446776 403558 2-1 16: 135 107 91 79 216 257 161 93 149 120 133 105 80 137 77 121 0.540 44.15 -1.1 66 95 65 91 272 7.1 1.442 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN N419_R~1-N1158 ? Manool oxide 44.2658 2275.7 8.9 scans 31% 257 m/z (221) 4.4% 0.0225% 6840 1.4 97 11260 1331050 1196858 1-1 16: 257 275 81 67 177 137 135 123 192 193 109 121 82 77 258 107 0.856 43.83 838.1 71 97 83 95 275 25.5 6.904 0.439 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1649 2327.4 8.8 scans 88% 137 m/z (128) 0.30% 0.465% 6992 1.0 442 164922 27447454 24607104 3-4 20: 137 81 95 93 69 71 55 257 107 123 79 109 41 121 67 43 91 80 105 94 0.968 44.90 15.2 84 86 88 86 272 29.3 0.440 0.264 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7865 2363.2 8.2 scans 76% 73 m/z 0.32% 0.112% 7098 1.1 231 154432 6638353 6142555 2-2 20: 73 355 147 221 281 356 357 207 429 282 341 74 148 415 295 283 223 267 327 401 0.935 45.78 0.6 99 99 91 98 503 21.0 0.823 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1088 2381.7 8.1 scans 85% 79 m/z (84) 0.11% 0.643% 7152 1.0 537 455398 37955122 35153296 1-4 20: 79 67 93 95 80 108 81 91 55 94 107 77 121 135 78 122 109 149 59 105 0.984 46.13 -1.5 93 94 95 99 292 38.3 0.509 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7582 2419.1 9.1 scans 69% TIC 0.41% 0.0846% 7262 1.0 193 120474 4991555 4562094 2-2 0.881 46.76 924.0 78 99 86 98 298 35.3 3.332 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5008 2461.9 7.7 scans 41% 138 m/z (281) 3.0% 0.0132% 7388 1.0 79 16580 782010 703564 1-6 12: 138 120 121 70 92 139 112 111 168 98 65 93 0.831 47.50 949.1 72 99 88 97 168 9.0 1.306 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9300 2544.1 8.1 scans 75% 73 m/z 0.61% 0.0578% 7630 1.2 166 81837 3409433 3138265 2-4 20: 73 147 355 221 429 281 430 207 431 357 74 341 282 223 356 399 265 283 358 359 0.884 48.95 993.7 74 94 91 99 429 43.8 6.967 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8291 2653.4 7.6 scans 19% 221 m/z (296) 12% 0.00175% 7951 1.0 29 4044 0.00176% 103259 95599 103817 6-5 3: 221 147 222 0.521 44.32 1206.1 65 97 58 92 369 8.8 0.000 6.509 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8516 2712.2 8.4 scans 62% 73 m/z 1.2% 0.0264% 8125 1.1 109 40202 1562330 1434893 2-6 20: 73 147 221 355 429 281 430 295 342 207 503 327 357 369 401 283 282 416 297 505 0.763 51.86 1081.3 77 99 78 98 503 16.9 2.408 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6314 2872.2 9.0 scans 41% 73 m/z 3.6% 0.00837% 8596 1.2 60 14037 494173 446881 2-5 19: 73 147 429 355 221 356 281 431 430 223 357 341 296 282 149 503 148 342 415 0.658 45.81 1395.7 68 96 68 93 503 9.0 2.301 8.819 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1151 771.4 6.5 scans 86% 77 m/z (48) 0.064% 0.163% 39 4.2 256 724432 0.165% 9410803 8470133 9494613 2-4 16: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 93 80 0.999 4.37 17.4 99 100 99 100 77 218.7 72.887 -0.256 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.2515 827.0 >6 scans 55% 57 m/z 0.86% 0.00960% 401 999.0 80 53952 0.0247% 552621 473120 1421315 0-10 12: 57 102 55 58 69 45 53 38 51 85 50 54 0.913 6.03 -134.6 72 94 86 93 102 10.4 1.686 0.218 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5815 835.6 19.5 scans 70% 207 m/z 0.56% 0.0432% 457 2.9 98 82603 2490647 2370561 1-1 13: 207 208 96 191 177 209 133 161 147 192 39 38 165 0.856 6.53 -141.2 79 100 88 99 207 73.8 56.462 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6753 864.1 8.5 scans 65% 69 m/z 1.1% 0.0545% 642 2.4 136 38782 3138032 2900982 2-2 18: 69 55 41 83 39 42 57 98 70 97 53 80 56 54 50 81 38 79 0.844 7.71 8.8 99 99 84 98 98 32.3 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2575 983.4 >9 scans 16% 177 m/z (165) 2.2% 0.00947% 1417 999.0 64 20465 0.0321% 545081 467754 1847134 0-5 9: 177 125 250 66 100 249 191 161 105 0.420 12.22 37.1 85 95 69 95 281 36.8 33.069 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6790 994.4 18.2 scans 59% TIC 1.2% 0.0104% 1489 1.4 77 37808 0.0158% 600923 559852 909181 1-0 0.878 13.22 30.8 93 97 86 97 110 25.1 10.594 -0.543 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1022 ?? Octanal 12.9417 1001.2 12.4 scans 25% 41 m/z (107) 9.1% 0.00977% 1534 1.3 52 5049 562227 489198 2-3 8: 41 44 55 68 122 94 83 65 0.588 12.96 -173.6 63 97 63 95 110 8.5 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1040 ?? Decane 13.6383 1020.1 7.5 scans 55% 71 m/z (83) 3.4% 0.00800% 1652 1.5 60 13342 460850 437324 1-2 8: 71 57 43 113 70 112 85 72 0.925 12.90 20.1 68 73 81 73 142 0.0 0.000 0.740 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1016 Limonene 13.9057 1027.4 8.2 scans 79% TIC 0.50% 0.0845% 1697 1.1 197 91128 4863757 4355741 2-2 0.907 13.89 52.1 90 99 94 99 136 38.8 3.895 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.0881 1032.3 10.1 scans 81% 79 m/z 0.31% 0.129% 1728 1.6 209 146280 7455581 6767441 2-3 20: 79 108 107 77 51 91 78 50 89 80 65 52 63 53 74 39 105 62 75 49 0.962 14.11 53.3 92 100 96 100 108 93.8 20.162 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4435 1041.9 9.5 scans 50% 91 m/z 0.32% 0.0535% 1788 1.5 136 143387 3080563 2713378 4-5 17: 91 92 120 65 39 63 89 51 121 50 62 90 93 52 75 64 66 0.908 14.44 57.1 90 99 92 99 120 45.4 11.193 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1749 1061.7 11.6 scans 89% TIC 0.11% 0.226% 1912 1.2 301 412075 0.238% 13013698 12936400 13695260 3-0 0.990 15.17 64.3 81 89 89 95 123 99.5 10.950 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN 98-86-2 ? Acetophenone 15.2676 1064.3 9.9 scans 84% TIC 0.091% 0.233% 1928 1.2 309 506915 13424469 12004329 1-3 0.987 15.29 -181.4 79 98 97 100 120 105.9 11.775 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4282 1068.6 8.5 scans 75% 95 m/z 0.15% 0.191% 1955 1.4 276 301494 11047314 9468003 2-7 19: 95 81 124 79 43 53 109 39 41 65 82 96 51 55 66 67 125 80 63 0.946 15.43 66.9 87 98 91 100 124 80.1 8.425 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1002 Undecane 16.6023 1100.6 9.5 scans 62% 57 m/z (58) 1.0% 0.0437% 2154 1.1 125 43728 2515684 2220694 9-1 17: 57 71 43 41 55 113 69 39 99 93 98 112 67 53 127 126 155 0.815 16.59 0.6 87 94 85 94 156 10.9 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7841 1108.3 9.8 scans 59% 57 m/z (251) 0.89% 0.0696% 2185 1.2 148 51789 0.0732% 4005613 3562872 4212156 0-3 16: 57 41 56 70 44 55 68 82 69 95 67 45 72 114 54 99 0.878 16.82 85.9 75 95 87 95 124 9.5 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9671 1116.1 8.7 scans 78% 71 m/z 0.14% 0.233% 2216 1.1 306 315474 13435365 11976403 2-7 19: 71 95 43 110 58 128 41 85 55 57 84 69 72 70 68 56 67 113 59 0.922 16.97 91.4 80 97 93 99 128 77.1 6.356 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0492 1119.5 9.3 scans 70% 91 m/z 0.13% 0.141% 2230 1.5 232 335077 0.142% 8143213 7342857 8171122 4-4 19: 91 92 122 65 93 77 63 89 51 78 103 39 123 104 50 64 62 90 38 0.951 17.05 93.5 81 100 96 99 122 77.6 11.217 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1006 Contamination 18.13min 18.0663 1162.5 >9 scans 85% TIC 0.26% 0.0967% 2402 1.1 216 173442 5566132 4835051 9-1 0.950 18.13 -169.2 80 100 92 99 355 92.3 18.333 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN M4942-N1002 ? Pyranone 18.1584 1166.4 9.8 scans 73% 144 m/z (60) 0.31% 0.139% 2418 1.0 218 149158 7999930 7439064 3-6 12: 144 43 101 44 72 55 45 115 145 58 146 46 0.950 20.04 -224.1 76 98 90 98 144 95.8 19.370 -1.884 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1018 ? Pyranone 18.1584 1166.4 11.6 scans 68% TIC 0.28% 0.133% 2418 1.0 210 161085 0.189% 7664234 6808335 10875648 0-3 0.872 18.22 122.9 74 94 82 94 144 96.1 20.860 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 18.4737 1179.7 11.7 scans 52% 60 m/z 2.1% 0.0244% 2471 0.3 98 22059 1408659 1307303 1-1 19: 60 85 69 97 41 55 73 115 57 87 45 88 102 70 108 82 83 74 86 0.842 22.03 -129.4 74 97 81 96 175 0.0 0.000 -3.560 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7080 1189.6 8.6 scans 68% 98 m/z 1.1% 0.0533% 2510 1.1 154 40522 3067740 2737315 2-1 20: 98 55 69 111 82 43 41 70 125 67 97 39 107 95 85 83 126 79 53 100 0.913 18.71 138.8 78 100 93 99 153 6.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9991 1201.9 7.9 scans 51% 57 m/z (89) 1.6% 0.0247% 2560 1.3 101 27824 1425274 1286276 2-2 14: 57 71 43 85 126 110 41 127 55 56 99 42 70 86 0.859 29.94 -14.5 75 79 83 82 254 0.0 0.000 -10.942 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1165 1206.9 8.4 scans 52% TIC 1.2% 0.0102% 2580 1.0 84 36499 590594 531389 0-3 0.874 19.12 149.8 77 100 89 99 97 14.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2470 1212.4 9.1 scans 22% 119 m/z (56) 4.2% 0.00531% 2602 1.1 46 11045 305965 277979 2-0 7: 119 91 134 135 89 63 90 0.854 13.76 12.9 74 78 65 79 134 17.7 15.072 5.490 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1012 ?? Nicotine 19.5723 1226.1 11.0 scans 6.1% 133 m/z 6.6% 0.00113% 2657 1.6 22 7030 65113 58104 1-1 7: 133 99 105 91 98 89 63 0.254 25.78 70.8 65 100 100 100 162 0.0 0.000 -6.206 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7931 1235.4 8.1 scans 83% 57 m/z 0.15% 0.193% 2694 1.2 290 295394 11117337 10012093 7-5 20: 57 45 41 75 87 56 89 72 101 100 59 43 85 73 60 58 71 55 44 62 0.974 19.81 167.9 78 97 93 100 144 7.4 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3438 1258.4 10.8 scans 68% 57 m/z (131) 0.78% 0.0540% 2787 0.8 132 59005 3109855 2768213 4-3 17: 57 85 43 41 99 127 56 55 69 128 113 83 141 42 155 112 86 0.940 20.32 0.7 84 88 92 87 170 2.9 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5310 1264.0 8.6 scans 57% 57 m/z 1.8% 0.0349% 2819 1.0 125 25552 2010371 1793277 6-1 18: 57 55 41 70 71 82 83 56 68 44 81 69 96 84 45 39 42 72 0.880 20.56 185.3 75 99 94 98 128 12.1 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1034 ? Decanal 20.5310 1264.0 8.6 scans 64% 57 m/z (125) 1.7% 0.0449% 2819 1.0 132 25971 2588706 2309160 6-1 18: 57 55 41 70 71 82 83 56 68 44 81 69 96 84 45 39 42 72 0.915 20.57 -143.0 75 97 97 99 138 6.2 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1006 ? Arosol 20.9401 1276.3 10.5 scans 54% 94 m/z (137) 0.38% 0.0631% 2889 1.5 138 121098 3632694 3343823 3-3 5: 94 138 66 76 139 0.950 20.98 191.3 77 99 97 99 152 4.6 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9950 1278.0 8.5 scans 79% 137 m/z (94) 0.32% 0.195% 2898 0.9 281 143014 11251576 10427339 3-2 16: 137 152 109 123 81 67 91 79 93 41 107 55 119 39 53 110 0.978 21.00 192.7 64 86 80 85 155 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1024 ? Hexadecane 21.0829 1280.6 7.5 scans 70% 71 m/z (74) 0.66% 0.0611% 2913 1.1 166 69755 3519141 3246643 1-2 15: 71 57 43 85 70 141 41 99 140 56 113 42 112 72 100 0.968 33.32 13.6 75 74 83 81 226 0.0 0.000 -12.236 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4436 1291.4 6.7 scans 12% 281 m/z 3.4% 0.00583% 2974 1.1 56 13552 335520 307563 1-6 13: 281 147 73 282 283 370 369 265 148 193 249 207 371 0.826 21.56 -147.3 75 97 78 96 369 15.3 7.421 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0103 1308.4 8.4 scans 74% 175 m/z 0.044% 0.381% 3070 1.0 404 1053798 21924026 19943429 4-4 20: 175 57 190 176 91 41 147 65 115 117 66 77 105 80 191 128 131 79 119 64 0.930 22.01 208.0 80 100 97 100 190 107.8 7.130 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1042 ?? Phytol 22.3043 1317.3 8.9 scans 29% 71 m/z (121) 2.7% 0.0181% 3120 1.0 90 16764 1046369 1046369 0-0 18: 71 43 85 99 69 58 94 155 59 153 56 70 83 141 86 112 101 42 0.696 35.35 19.9 61 72 68 76 196 0.0 0.000 -13.043 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9006 1335.1 8.4 scans 67% 69 m/z (71) 0.13% 0.268% 3221 1.1 320 350204 15451455 14273215 3-4 11: 69 109 86 110 128 67 95 59 93 170 108 0.949 22.91 221.5 71 94 87 93 127 40.0 1.562 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1016 ? Nicotine 23.0759 1340.4 >13 scans 71% 60 m/z (79) 0.48% 0.138% 3250 0.4 206 96648 7997072 7009300 1-8 20: 60 73 57 115 55 41 129 43 98 39 61 87 69 56 42 45 70 83 74 96 0.971 25.35 191.2 75 95 94 99 162 1.9 0.000 -2.278 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 23.0759 1340.4 >13 scans 67% 60 m/z (116) 0.44% 0.132% 3250 0.4 201 103542 7614741 6674192 1-8 20: 60 73 57 115 55 41 129 43 98 39 61 87 69 56 42 45 70 83 74 96 0.967 22.70 -134.9 72 94 93 97 158 14.9 0.549 0.380 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0842 1371.4 7.5 scans 86% 73 m/z 0.062% 0.473% 3421 1.1 482 737889 27264004 26167612 1-2 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 75 148 45 59 311 0.977 24.17 -152.4 80 99 96 99 429 146.2 9.178 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1032 ?? Dodecane 24.3292 1379.6 6.8 scans 35% 71 m/z (148) 2.6% 0.0103% 3463 0.9 76 17590 593662 591042 1-0 16: 71 57 99 169 85 43 127 113 69 42 55 84 41 86 170 72 0.874 20.36 -20.6 68 72 82 72 170 6.9 0.839 3.971 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5470 1386.9 8.0 scans 72% 71 m/z 0.22% 0.144% 3500 0.8 252 202106 8332766 7395896 3-4 19: 71 57 85 43 41 84 70 127 113 99 55 56 155 169 42 72 126 112 86 0.890 24.54 249.6 77 99 88 97 169 30.1 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6851 1391.5 8.3 scans 53% TIC 1.0% 0.0180% 3523 1.1 115 43245 0.0238% 1039280 1031133 1369526 0-2 0.860 24.70 251.9 70 93 84 97 170 4.6 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.8705 1397.7 13.3 scans 67% TIC 0.61% 0.0653% 3555 2.1 157 75930 3757987 3596452 1-2 0.906 23.86 33.7 79 83 85 85 184 5.2 0.000 1.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.4095 1415.7 12.4 scans 95% 84 m/z 0.0082% 3.98% 3646 0.5 1112 5652828 229581981 217249119 2-2 20: 84 133 162 161 119 42 92 118 82 130 134 65 78 117 51 39 91 120 63 77 0.998 25.89 258.7 78 97 95 97 162 296.5 7.104 -0.483 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7802 1428.1 7.5 scans 54% 93 m/z (85) 1.1% 0.0375% 3708 1.1 133 40867 2161898 2081634 2-1 15: 93 43 71 121 136 70 77 155 79 91 154 99 94 81 151 0.946 25.78 272.8 68 92 89 92 194 17.1 1.661 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0140 1435.9 8.1 scans 16% 145 m/z (57) 2.7% 0.00775% 3748 1.0 57 17050 446429 413263 2-7 6: 145 160 115 146 117 116 0.845 27.08 -186.9 69 93 76 94 160 24.1 17.685 -1.063 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0884 1471.8 6.8 scans 69% 221 m/z 0.44% 0.0618% 3930 1.0 184 104089 3560798 3409192 2-1 20: 221 73 147 281 222 267 355 223 282 148 443 356 74 268 149 207 283 205 269 357 0.930 27.12 296.9 78 98 91 98 355 35.4 3.720 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1698 1474.5 7.9 scans 65% 57 m/z 0.43% 0.0623% 3944 1.1 175 105663 0.0893% 3585456 3459553 5138600 1-0 19: 57 71 43 85 41 55 56 99 70 98 127 84 198 113 42 112 83 126 72 0.921 27.21 -1.3 94 96 91 95 198 21.3 1.481 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1032 Myosmine 27.9408 1503.3 10.9 scans 91% 118 m/z 0.023% 1.59% 4075 0.6 732 1997929 92059985 86604279 3-4 20: 118 146 145 105 78 51 119 147 104 91 117 65 41 63 39 77 42 64 50 89 0.988 27.93 316.6 80 99 98 99 146 317.2 18.765 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6586 1530.3 8.3 scans 73% 43 m/z (166) 0.10% 0.352% 4196 0.9 373 455531 20286381 18049083 7-2 19: 43 69 41 151 136 107 67 125 93 109 83 121 53 81 68 39 108 133 161 0.973 28.67 332.9 75 98 96 98 194 25.0 0.450 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0937 1546.7 7.6 scans 63% 71 m/z 0.17% 0.169% 4270 1.1 316 267819 0.279% 9765080 9318884 16054528 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 97 183 177 69 42 140 155 0.899 29.10 342.8 73 96 91 94 227 7.2 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5093 1562.3 7.8 scans 82% 73 m/z 0.052% 0.697% 4340 0.9 574 882865 40149688 38124042 2-2 20: 73 281 147 327 282 415 341 503 283 328 399 221 148 416 504 329 74 325 342 505 0.977 29.61 -150.8 79 98 95 99 503 98.9 2.972 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1022 ?? Nicotyrine 29.6392 1567.2 11.7 scans 16% 158 m/z (177) 0.099% 0.257% 4363 1.1 282 468599 14810480 14077139 2-2 13: 158 157 130 156 90 155 88 74 87 59 114 49 37 0.589 29.68 354.6 66 96 73 94 158 175.9 38.815 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7779 1572.4 8.4 scans 75% 123 m/z 0.016% 0.857% 4386 0.8 616 2739455 49351618 44799909 1-3 20: 123 43 135 124 107 95 91 79 109 77 39 81 93 67 53 105 97 125 193 165 0.932 29.77 358.4 78 98 91 98 193 53.3 0.747 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1010 Pentadecane 30.1728 1587.2 7.8 scans 62% 57 m/z 0.27% 0.119% 4452 1.1 260 170959 0.199% 6868414 6452721 11451079 1-0 20: 57 85 71 43 99 41 55 113 70 56 84 127 69 98 155 183 83 141 97 86 0.926 30.38 -7.7 82 84 92 85 212 3.3 0.000 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5223 1601.0 8.1 scans 88% 191 m/z 0.017% 0.902% 4512 0.9 638 2720218 51910614 48788578 2-2 20: 191 206 192 57 163 175 74 91 115 41 107 207 73 77 88 147 128 133 117 121 0.990 30.50 376.2 80 100 98 100 206 171.8 7.248 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8458 1614.6 8.5 scans 19% 124 m/z (105) 0.69% 0.0348% 4567 0.8 119 66845 2006318 1849045 3-5 4: 124 137 180 138 0.801 30.81 385.2 68 92 76 92 180 36.5 9.411 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8954 1616.7 9.5 scans 26% 162 m/z (124) 0.83% 0.0575% 4575 1.1 144 55905 3313163 3026424 3-2 9: 162 161 91 163 195 103 148 115 89 0.392 30.88 0.7 78 90 52 89 204 4.3 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9296 1618.1 9.4 scans 1.8% 171 m/z 7.5% 0.00189% 4581 1.5 28 6132 0.00364% 108866 104191 209457 1-0 4: 171 172 211 173 0.681 30.93 0.1 71 88 67 87 171 20.1 51.534 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2555 1631.8 12.5 scans 64% 111 m/z 0.032% 1.36% 4636 0.4 638 1427833 78797525 72383759 2-8 20: 111 109 137 67 180 110 95 124 152 81 39 112 93 53 91 65 165 138 121 83 0.829 31.18 396.8 76 96 77 97 180 154.3 5.847 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5070 1642.4 9.3 scans 56% 43 m/z (70) 0.44% 0.0851% 4679 1.3 179 103813 4898089 4676506 1-1 20: 43 85 98 111 166 55 127 41 82 99 84 68 69 142 83 67 58 81 39 126 0.888 31.52 -0.3 89 92 89 95 166 32.5 3.308 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7915 1654.3 8.9 scans 27% 193 m/z (43) 0.80% 0.0263% 4727 1.2 102 57687 1518003 1435410 4-2 5: 193 208 151 194 175 0.803 31.80 -0.2 66 73 43 80 208 22.3 4.759 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9161 1659.6 7.8 scans 59% 71 m/z (109) 0.79% 0.0712% 4748 0.6 166 58681 4097797 3826496 2-1 19: 71 57 85 43 70 55 69 99 113 41 84 56 127 155 111 169 112 126 42 0.950 31.92 -0.1 80 84 90 88 219 4.4 0.071 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0519 1665.3 6.7 scans 48% 221 m/z 0.39% 0.0619% 4771 1.0 185 118876 3564782 3441918 1-2 19: 221 73 147 295 222 207 341 355 223 281 267 325 296 148 74 342 297 224 265 0.847 32.08 -1.1 96 97 92 97 355 32.5 3.111 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2319 1672.8 8.5 scans 64% TIC 0.31% 0.0985% 4802 1.4 221 147717 0.118% 5670044 5303410 6790087 1-0 0.847 32.24 -0.3 87 90 82 90 226 10.0 0.204 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6717 1691.3 8.6 scans 64% 205 m/z (181) 1.2% 0.126% 4876 1.0 227 38474 7279584 6677878 2-2 19: 205 119 91 105 93 43 159 107 162 79 77 187 121 131 106 150 146 133 145 0.915 32.67 -0.2 92 95 89 96 220 13.5 0.356 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9309 1702.2 7.8 scans 62% 71 m/z 0.099% 0.129% 4920 0.8 247 468294 7446149 6720943 6-6 14: 71 43 159 111 56 243 72 155 173 143 89 73 244 44 0.921 32.93 -0.1 95 96 89 98 243 39.1 2.492 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0962 1709.2 7.3 scans 35% 57 m/z (341) 2.9% 0.0235% 4948 0.8 105 16006 1356489 1233832 1-0 20: 57 111 43 127 85 41 71 84 199 143 112 140 129 126 185 88 42 171 194 110 0.837 33.09 0.5 83 88 93 95 224 4.1 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3075 1718.0 7.0 scans 69% 57 m/z (355) 0.31% 0.0978% 4984 0.9 223 148578 5630166 5331722 3-1 20: 57 71 85 43 41 55 99 56 70 226 113 69 42 98 84 83 112 58 72 141 0.978 33.37 -2.8 96 98 98 99 226 25.1 1.270 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8937 1728.2 7.6 scans 51% 71 m/z 0.73% 0.0407% 5083 1.0 153 62857 2343781 2246507 1-1 19: 71 43 57 70 85 197 41 99 55 56 196 113 127 86 69 141 140 42 72 0.840 33.90 -0.1 91 98 88 96 197 30.0 3.856 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2656 1733.6 8.8 scans 17% 139 m/z (173) 3.7% 0.0119% 5147 1.2 73 12366 689471 649897 0-1 16: 139 123 71 210 41 43 44 85 98 184 77 183 79 86 141 91 0.784 34.27 -0.0 70 77 63 86 211 11.7 2.600 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3913 1735.4 17.4 scans 87% TIC 0.0091% 7.69% 5167 0.6 1410 5080974 8.83% 442718768 423126141 508105672 2-0 0.993 34.39 452.4 80 99 98 99 415 176.5 1.570 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8323 1741.7 15.6 scans 90% 91 m/z 0.027% 1.65% 5242 0.2 643 1711855 95153007 91836081 1-1 20: 91 155 199 184 65 90 89 92 44 120 63 137 106 77 39 51 64 156 200 134 0.989 34.79 452.7 80 100 98 99 199 181.7 7.991 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9091 1742.8 7.7 scans 18% 68 m/z (71) 2.2% 0.0211% 5255 1.2 96 20582 1218003 1096345 1-2 3: 68 224 202 0.832 34.90 0.1 86 95 86 95 224 13.1 1.862 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6889 1753.9 8.9 scans 55% 123 m/z (57) 0.22% 0.144% 5388 1.0 236 210755 8328775 7789817 2-2 17: 123 124 105 109 125 181 79 91 77 191 121 95 149 209 133 107 93 0.975 35.70 451.2 71 93 92 95 224 14.2 0.361 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9392 1757.5 8.8 scans 53% 91 m/z (183) 0.37% 0.140% 5429 1.0 234 122546 8098569 7796605 1-3 16: 91 155 148 184 65 199 105 92 220 44 133 119 89 77 63 147 0.912 35.94 451.1 73 97 86 97 238 6.4 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4858 1765.3 6.8 scans 14% 221 m/z 0.62% 0.0443% 5522 1.1 155 74804 2550312 2348612 2-2 17: 221 73 147 295 281 369 341 223 296 327 297 148 74 282 283 370 267 0.813 36.58 448.8 75 98 84 97 369 26.7 2.951 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1996 1775.5 8.3 scans 11% 209 m/z (71) 1.8% 0.0146% 5643 1.1 78 25136 844748 762958 3-2 9: 209 224 210 181 167 178 194 166 193 0.752 37.20 449.2 69 93 80 97 224 24.9 10.262 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1016 Octadecane 37.2999 1777.0 8.8 scans 63% 71 m/z (221) 0.38% 0.148% 5660 1.1 233 120644 0.214% 8565981 7947643 12314226 0-5 20: 71 85 57 43 99 113 127 41 69 55 84 70 169 155 141 83 56 126 111 112 0.968 38.91 -23.0 80 86 94 85 254 3.8 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 9.0 scans 55% 57 m/z (193) 0.54% 0.0884% 5788 1.0 180 84836 5088712 4507613 1-2 20: 57 71 85 43 56 225 55 99 41 113 224 127 141 69 70 98 114 84 42 83 0.947 38.06 448.1 73 99 96 98 225 32.1 3.190 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.5980 1795.5 >14 scans 52% 147 m/z (429) 0.017% 4.38% 5879 0.5 1054 2595419 5.08% 252268135 242805479 292319005 2-0 20: 147 221 281 207 341 267 148 222 327 401 342 74 149 268 385 325 283 384 209 402 0.987 32.10 546.7 62 83 68 84 355 291.3 7.651 6.496 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5980 1795.5 >14 scans 92% 147 m/z 0.012% 7.55% 5879 0.5 1406 3860353 8.75% 434669471 418364883 503502223 2-0 20: 147 221 281 207 341 267 148 222 327 401 342 74 149 268 385 325 283 384 209 402 0.997 38.59 447.4 80 99 98 99 429 409.3 8.489 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4528 1867.3 7.6 scans 41% 74 m/z 0.55% 0.0492% 6025 0.9 155 83780 2834591 2602686 2-2 16: 74 87 143 75 213 228 102 59 129 60 101 256 185 225 88 211 0.814 39.45 505.8 76 99 84 98 256 23.5 2.309 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8247 1913.4 11.6 scans 96% 95 m/z 0.022% 5.29% 6088 0.3 1322 2087845 304749230 295355330 2-1 20: 95 68 82 123 69 81 57 55 83 43 67 41 97 109 71 124 79 110 85 56 0.999 39.94 544.3 81 100 100 100 278 76.2 0.332 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9080 1923.7 6.9 scans 69% 58 m/z 0.26% 0.170% 6102 1.1 311 176156 9837831 8785573 1-4 13: 58 43 71 59 109 55 41 95 110 124 123 81 250 0.953 39.88 555.4 78 99 96 98 250 32.2 1.074 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3206 1974.9 7.9 scans 66% 149 m/z 0.060% 0.183% 6172 0.9 293 761943 10534167 9513449 3-2 18: 149 150 223 104 76 167 56 205 65 93 132 121 105 224 39 50 122 77 0.962 40.31 600.0 78 98 96 98 223 61.0 4.337 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N406_R~1-N1110 ?? Phytol 40.3926 1983.8 8.6 scans 14% 82 m/z (101) 1.6% 0.0250% 6184 1.3 91 28148 1441720 1280868 4-2 12: 82 81 95 123 124 79 67 96 278 179 80 110 0.378 40.66 -33.4 68 89 34 83 278 15.6 0.000 -0.269 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5987 2009.4 7.3 scans 51% 221 m/z (356) 0.64% 0.0528% 6219 1.1 160 72431 3042447 2917817 1-3 20: 221 73 147 295 207 281 222 369 223 296 297 355 148 282 283 341 327 325 267 265 0.930 40.63 629.3 75 98 97 99 369 26.1 2.650 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1254 ? Phytol 40.8537 2041.0 8.3 scans 36% 81 m/z (83) 1.2% 0.0610% 6262 1.5 154 38637 3515430 3362648 1-2 15: 81 95 82 123 68 79 67 109 124 94 235 278 137 73 53 0.847 40.87 -1.7 70 74 65 83 278 21.6 1.968 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BQLD_R~1-N1056 ? Homosalate 41.0013 2059.3 7.9 scans 59% 138 m/z 0.26% 0.140% 6287 1.0 274 178387 8083153 7483569 1-2 20: 138 109 120 69 121 124 83 139 92 65 82 41 262 55 93 67 95 81 68 39 0.902 41.00 673.5 79 100 95 100 262 36.2 1.747 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2474 2089.8 7.9 scans 77% 79 m/z 0.15% 0.365% 6329 1.0 417 304982 21024007 19477282 2-1 20: 79 67 93 95 80 91 108 55 121 41 81 77 94 107 87 135 59 78 105 122 0.916 41.26 -1.2 98 99 92 99 264 29.8 0.510 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLANKB1-N1012 ? Contamination 41.49min 41.4440 2114.2 8.1 scans 49% 205 m/z (149) 0.73% 0.108% 6362 0.8 216 63564 6265652 5793107 4-2 16: 205 217 175 189 220 177 232 191 203 218 233 159 219 163 192 190 0.895 41.49 -82.4 78 96 80 96 276 15.5 0.513 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8449 2139.3 9.3 scans 40% 71 m/z (192) 1.5% 0.0422% 6430 1.0 129 30860 2428866 2188806 1-1 20: 71 57 85 43 182 126 84 70 99 95 55 69 83 56 41 239 97 81 111 125 0.927 41.48 20.3 66 71 86 78 268 2.1 0.000 0.362 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.0107 2148.6 9.6 scans 1.7% 105 m/z (87) 2.1% 0.0407% 6458 1.2 123 21510 2345900 2171862 2-3 15: 105 119 131 133 175 161 108 148 189 120 134 92 106 236 260 0.317 42.05 -2.0 79 98 58 92 272 20.4 2.769 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0391 2150.2 9.3 scans 93% 87 m/z 0.012% 3.09% 6463 0.4 1108 3629981 178195830 168860862 2-2 20: 87 43 227 270 41 69 57 239 129 83 171 199 97 241 84 213 98 111 73 70 0.981 42.01 748.2 79 99 98 99 272 30.4 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3059 2165.2 9.2 scans 94% TIC 0.028% 1.64% 6508 1.2 805 1654159 94557702 90492917 1-4 0.991 42.37 756.2 73 90 93 99 503 134.0 2.766 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3667 2168.6 8.5 scans 15% 161 m/z (71) 2.3% 0.0376% 6518 1.1 119 19960 2166184 1874999 5-4 16: 161 79 105 77 107 67 81 120 162 229 159 121 92 108 272 106 0.891 42.40 -1.8 75 81 74 80 272 10.1 0.721 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1020 ?? Icosane 43.8514 2252.0 8.7 scans 47% 71 m/z (205) 1.4% 0.0367% 6770 1.2 119 31664 2117154 1891406 1-4 19: 71 57 85 43 127 136 99 239 42 126 41 69 86 113 268 112 121 272 84 0.875 43.94 -4.7 62 75 82 81 282 5.0 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 44.9777 2316.6 >13 scans 19% TIC 11% 0.00390% 6961 1.0 49 4137 0.00787% 224923 202946 452864 0-1 0.408 44.99 856.2 66 94 42 91 270 10.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1578 2327.0 8.9 scans 47% TIC 2.9% 0.0298% 6991 1.3 120 15936 0.0354% 1715446 1526449 2037026 2-2 0.686 44.90 14.8 80 83 61 80 272 9.6 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7871 2363.2 8.0 scans 69% 73 m/z 0.35% 0.0989% 7098 1.0 213 132284 5696503 5293651 2-2 20: 73 355 147 221 281 356 357 207 222 282 429 148 295 74 267 223 327 415 430 325 0.904 45.78 0.6 99 99 90 98 503 19.5 0.834 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1129 2382.0 8.1 scans 80% 79 m/z (253) 0.077% 0.797% 7153 0.9 585 598195 45881811 42847710 1-4 20: 79 67 95 93 80 108 81 91 107 94 77 121 135 149 78 59 122 68 136 105 0.970 46.13 -1.2 93 94 93 98 292 44.7 0.584 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN HCMIX_~1-N1022 ?? Henicosane 46.6265 2411.5 7.9 scans 37% 71 m/z (110) 3.7% 0.0115% 7240 0.9 72 12261 665502 601900 3-0 20: 71 57 99 85 43 113 127 111 69 70 155 112 141 84 83 55 197 169 86 41 0.876 46.28 19.8 66 76 80 73 296 0.0 0.000 0.345 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7594 2419.2 7.8 scans 71% 74 m/z 0.32% 0.0906% 7262 1.2 207 143989 5215337 4898527 2-3 20: 74 87 143 75 43 55 298 255 41 57 199 69 83 97 267 101 129 299 42 185 0.907 46.76 924.1 78 99 89 98 298 38.9 3.539 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5008 2461.9 7.7 scans 69% 138 m/z 0.61% 0.0521% 7388 1.2 162 75469 3000024 2736064 2-6 20: 138 120 121 57 43 139 41 55 71 70 69 111 85 98 306 56 92 65 83 93 0.894 47.50 949.1 79 99 90 98 168 20.4 1.597 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9365 2544.5 7.9 scans 61% 73 m/z (115) 1.7% 0.0189% 7631 1.1 90 26788 1090116 978820 3-5 20: 73 147 221 355 429 356 281 430 327 295 267 207 431 357 358 341 149 222 148 325 0.837 48.95 994.1 71 97 87 98 429 25.1 7.784 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9365 2544.5 7.9 scans 54% 73 m/z 1.7% 0.0155% 7631 1.1 84 26614 893731 802485 3-5 20: 73 147 221 355 429 356 281 430 327 295 267 207 431 357 358 341 149 222 148 325 0.744 51.86 913.6 71 94 72 92 503 6.7 0.633 -2.922 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6308 2872.1 11.7 scans 22% TIC 7.3% 0.00224% 8596 0.7 33 6301 129274 120311 1-0 0.529 45.81 1395.6 63 89 49 85 503 6.0 3.219 8.819 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0990 771.0 5.8 scans 76% 77 m/z (55) 0.060% 0.158% 36 3.4 272 841787 0.171% 9571525 8532795 10334054 3-5 14: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 0.987 4.37 17.0 99 100 100 100 77 231.0 72.181 -0.272 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5914 835.9 19.1 scans 67% 207 m/z 0.54% 0.0458% 458 2.8 103 94300 2772427 2613344 1-1 16: 207 208 209 133 95 177 165 147 149 193 115 103 178 75 117 89 0.865 6.53 -140.9 80 100 87 99 207 77.3 56.880 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N506_R~1-N1176 2-Hexenal 7.7071 864.9 9.9 scans 93% 69 m/z (67) 0.046% 1.93% 647 1.2 762 1102795 116667313 103761363 2-4 20: 69 55 83 41 39 57 42 98 70 97 56 43 80 53 79 54 40 68 51 38 0.998 7.71 9.6 99 100 100 100 98 154.8 4.131 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.2350 982.8 8.8 scans 52% 43 m/z (60) 0.53% 0.0567% 1414 2.1 145 95920 3428163 3379729 0-2 16: 43 281 282 108 41 283 55 111 249 39 205 68 93 207 142 119 0.692 12.22 36.5 89 96 54 99 281 78.0 29.024 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6836 994.5 >13 scans 62% TIC 0.55% 0.0437% 1490 1.1 134 92349 0.0720% 2641793 2528407 4351181 2-0 0.934 13.22 30.9 94 98 94 98 110 37.8 7.927 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1016 Limonene 13.9109 1027.5 8.7 scans 67% TIC 0.66% 0.0731% 1698 1.1 184 76654 4419293 4127760 1-1 0.809 13.89 52.2 88 99 90 99 136 35.1 3.644 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.0986 1032.6 10.3 scans 87% 79 m/z 0.10% 0.449% 1730 1.6 382 494167 27148615 24096663 2-3 20: 79 108 107 77 51 91 78 50 80 90 89 109 65 63 39 52 53 74 105 62 0.991 14.11 53.6 92 100 99 100 108 168.5 19.453 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4575 1042.3 9.6 scans 82% 91 m/z 0.054% 0.353% 1791 1.5 350 941478 21371205 19162541 2-4 19: 91 92 120 65 63 39 89 51 50 62 121 90 93 66 38 61 52 74 77 0.975 14.44 57.5 91 100 99 100 120 113.9 10.606 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1831 1062.0 12.6 scans 73% 105 m/z 0.11% 0.280% 1914 1.4 288 447856 0.355% 16961439 16005592 21453737 2-0 19: 105 77 123 51 46 50 106 78 76 39 75 37 52 38 67 64 80 79 73 0.837 15.17 64.6 89 100 97 100 123 101.2 12.350 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN 98-86-2 ? Acetophenone 15.2675 1064.2 >12 scans 58% 120 m/z 0.27% 0.0909% 1928 1.7 180 183367 0.227% 5496294 5297495 13718305 0-2 14: 120 105 77 51 43 107 50 106 49 78 62 76 52 90 0.973 15.29 -181.5 78 97 94 99 120 55.7 9.596 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4345 1068.8 9.1 scans 64% 95 m/z 0.19% 0.145% 1956 1.5 238 256744 8799959 8099111 1-5 19: 95 81 124 79 43 53 109 39 41 65 82 96 66 67 51 77 119 125 63 0.831 15.43 67.1 86 99 88 100 124 73.1 9.449 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 16.1293 1087.6 7.9 scans 67% 137 m/z (55) 0.74% 0.0355% 2074 1.1 124 68872 2149932 1975880 1-8 16: 137 152 135 124 105 138 95 151 68 94 93 40 78 119 53 80 0.963 21.00 2.3 64 64 56 71 155 1.8 0.000 -4.872 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1028 ?? p-Cymenene 16.2179 1090.0 8.1 scans 18% 132 m/z (56) 9.2% 0.00355% 2089 1.4 37 5541 214639 185306 2-2 8: 132 117 115 99 91 65 131 129 0.688 16.25 -184.6 66 94 68 95 132 18.7 25.183 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1002 Undecane 16.6128 1101.1 8.2 scans 46% 57 m/z 1.6% 0.0162% 2156 1.0 92 31082 984620 911133 2-1 17: 57 71 43 41 85 56 70 55 156 113 98 84 67 99 127 97 154 0.816 16.59 1.1 92 96 83 95 156 12.8 1.920 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1016 Nonanal 16.7834 1108.3 8.6 scans 82% TIC 0.32% 0.169% 2185 0.9 276 158125 0.192% 10272188 9485054 11603148 0-3 0.960 16.82 85.9 80 97 93 97 124 17.4 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9665 1116.0 8.6 scans 67% 71 m/z (81) 0.40% 0.0972% 2215 1.2 191 125741 5877984 5155129 2-6 18: 71 95 43 110 58 128 85 41 84 57 55 72 69 129 70 113 56 96 0.972 16.97 91.3 79 98 98 100 128 47.4 6.128 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0597 1120.0 9.8 scans 87% 91 m/z 0.044% 0.539% 2231 1.2 435 1164101 32624233 29027288 3-4 20: 91 92 122 65 77 51 93 63 39 78 89 103 104 123 50 62 90 64 52 74 0.987 17.05 94.0 82 100 98 100 122 145.2 11.125 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1006 Contamination 18.13min 18.0792 1163.0 >7 scans 60% TIC 0.45% 0.0516% 2404 0.2 161 113600 3123328 2790630 3-0 0.949 18.13 -168.7 80 99 95 99 355 64.7 16.104 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN M4942-N1002 Pyranone 18.2581 1170.6 17.2 scans 81% 144 m/z 0.077% 0.960% 2435 0.3 477 661799 58066538 50785703 1-5 20: 144 43 101 44 72 73 55 45 115 42 53 58 56 39 74 68 54 116 67 146 0.980 20.04 -219.9 80 100 98 100 144 204.1 18.346 -1.784 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 18.5326 1182.2 16.8 scans 53% 60 m/z 0.84% 0.0899% 2481 0.3 152 60620 5435637 4664076 1-8 20: 60 69 85 73 57 55 101 87 43 97 115 88 42 45 56 82 108 84 98 89 0.942 22.03 -126.9 64 84 75 84 175 0.0 0.000 -3.501 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1004 ? Octanoic acid 18.5326 1182.2 16.8 scans 66% 60 m/z (70) 0.86% 0.131% 2481 0.3 169 59151 7939776 6812766 1-8 20: 60 69 85 73 57 55 101 87 43 97 115 88 42 45 56 82 108 84 98 89 0.966 19.87 113.9 72 94 87 97 144 3.0 0.000 -1.338 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1012 ? Nicotine 18.6619 1187.7 >7 scans 1.0% 133 m/z 19% 0.000382% 2503 999.0 13 2574 0.000583% 23112 16361 35232 0-6 2: 133 62 0.038 25.78 32.4 71 100 100 100 162 0.0 0.000 -7.116 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7103 1189.7 8.3 scans 58% 55 m/z (133) 2.4% 0.0310% 2511 1.3 116 21323 1877237 1796610 1-1 20: 55 69 111 82 43 41 99 126 83 125 67 39 70 95 107 97 84 53 71 110 0.953 18.71 138.9 73 97 94 99 153 3.8 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8307 1194.8 9.2 scans 55% 70 m/z (123) 2.7% 0.0359% 2531 1.0 114 18378 2174320 1936833 2-2 15: 70 55 41 83 69 57 56 39 96 81 67 42 97 68 111 0.870 18.83 142.1 69 89 92 99 122 8.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1212 1207.1 8.1 scans 36% 82 m/z (138) 1.3% 0.0175% 2581 1.2 89 38492 1058407 1003459 1-1 8: 82 81 43 54 53 97 166 98 0.931 19.12 150.0 75 95 96 100 97 14.3 2.608 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 19.2115 1210.9 16.3 scans 42% 105 m/z 1.0% 0.0325% 2596 0.3 95 47878 1966302 1800825 1-5 17: 105 122 77 51 123 74 124 106 78 104 76 49 45 66 38 115 113 0.891 20.03 140.2 74 94 84 94 122 50.8 28.466 -0.818 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.2546 1212.7 10.0 scans 9.2% 119 m/z (56) 5.7% 0.00363% 2603 1.3 36 8865 219620 199264 2-0 4: 119 91 134 92 0.721 13.76 13.2 74 80 65 80 134 14.9 17.132 5.498 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8048 1235.9 9.1 scans 84% 57 m/z 0.14% 0.244% 2696 1.1 315 360809 14768945 13464561 2-5 20: 57 45 41 75 87 56 89 72 100 101 59 43 60 85 73 71 44 58 55 61 0.983 19.81 168.4 78 97 94 100 144 6.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3113 1257.3 10.7 scans 24% 57 m/z (107) 3.7% 0.00776% 2782 1.8 51 13531 469095 446371 3-1 7: 57 85 71 113 170 86 112 0.837 20.32 -0.4 81 90 75 86 170 6.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1034 ? Decanal 20.5232 1263.8 8.3 scans 82% 57 m/z (110) 0.51% 0.164% 2818 1.1 255 98910 9932887 8818304 6-3 20: 57 41 55 43 70 82 71 68 44 83 56 67 81 112 69 96 42 84 95 39 0.973 20.57 -143.2 74 94 96 99 138 12.7 0.248 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5232 1263.8 8.3 scans 85% 57 m/z (78) 0.53% 0.169% 2818 1.1 260 95851 10269867 9117472 6-3 20: 57 41 55 43 70 82 71 68 44 83 56 67 81 112 69 96 42 84 95 39 0.992 16.82 -27.6 68 70 85 75 124 2.3 0.000 3.708 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5244 1263.8 8.4 scans 80% TIC 0.52% 0.143% 2818 1.0 252 97619 8657056 7874497 4-1 0.936 20.56 185.1 77 96 96 100 128 22.3 0.785 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9447 1276.4 10.9 scans 58% 94 m/z (137) 0.38% 0.0659% 2890 1.2 146 133759 3988386 3729204 2-1 7: 94 138 66 99 45 88 139 0.939 20.98 191.4 76 97 95 100 152 4.8 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1832 1283.6 8.7 scans 7.8% 281 m/z 1.4% 0.00951% 2930 1.6 59 34380 575118 496160 3-4 15: 281 282 283 284 267 193 133 265 191 194 249 223 179 251 268 0.708 12.25 130.5 75 97 61 96 281 46.7 61.975 8.932 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.8981 1335.1 9.0 scans 46% 69 m/z (83) 0.25% 0.154% 3221 1.0 227 202565 9340925 8263545 3-3 7: 69 109 43 86 110 128 127 0.909 22.91 221.5 71 94 80 93 127 31.2 1.888 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.2352 1345.2 >19 scans 81% TIC 0.17% 0.486% 3278 0.1 345 291579 29390914 25702625 2-2 0.973 22.70 -130.1 76 94 92 99 158 23.0 0.446 0.539 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.2352 1345.2 >20 scans 83% 60 m/z 0.17% 0.530% 3278 0.1 350 300244 32033507 30007537 1-2 20: 60 73 57 41 55 129 115 43 98 69 87 61 39 74 42 56 83 101 84 70 0.974 25.35 196.0 76 95 93 99 162 0.0 0.000 -2.119 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.8344 1363.2 9.0 scans 44% 57 m/z (72 67) 1.5% 0.0386% 3379 1.1 114 34065 2332928 2083729 2-2 11: 57 85 71 41 70 115 42 98 184 145 141 0.862 23.86 -0.8 78 88 86 90 184 10.4 0.837 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0864 1371.5 7.2 scans 62% 73 m/z 0.26% 0.109% 3422 1.1 235 195406 6643766 6106441 2-6 20: 73 341 429 342 325 147 343 430 431 326 207 74 344 82 327 311 432 45 68 148 0.859 24.17 -152.3 79 99 85 99 429 70.8 9.073 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1032 ? Dodecane 24.5386 1386.6 7.7 scans 50% 71 m/z (137) 0.98% 0.0344% 3498 1.0 127 51846 0.0533% 2084665 1815347 3221082 0-7 18: 71 57 85 43 84 127 113 70 99 41 56 155 72 126 42 114 86 212 0.926 20.36 -13.6 71 75 84 75 170 5.9 0.219 4.181 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6821 1391.4 8.4 scans 66% 43 m/z 0.63% 0.0522% 3523 0.8 160 81021 3156385 2968300 0-9 20: 43 83 69 55 41 58 56 85 113 111 39 71 142 67 70 68 127 128 108 57 0.908 24.70 251.8 71 91 83 97 170 6.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1084 ?? Pentadecane 24.8657 1397.5 12.0 scans 40% 71 m/z (110) 2.2% 0.0238% 3554 1.5 87 22832 1444110 1371748 1-0 16: 71 57 85 43 127 99 84 113 70 139 56 101 58 72 112 128 0.904 24.54 260.2 69 96 93 95 169 7.1 0.000 0.324 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1880 1408.3 >8 scans 31% TIC 0.81% 0.0122% 3608 0.3 80 62626 739638 681585 1-0 0.762 25.24 -151.6 75 97 93 99 145 26.6 11.070 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4347 1416.5 12.9 scans 94% TIC 0.014% 2.42% 3650 0.8 828 3509538 146781633 134550962 2-5 0.989 25.89 259.5 77 96 94 97 162 216.7 6.853 -0.457 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0918 1471.9 6.9 scans 38% 221 m/z 1.9% 0.0127% 3931 0.9 84 26222 770913 726778 1-2 19: 221 73 147 281 443 267 355 148 444 356 75 222 283 445 207 191 74 224 251 0.833 27.12 297.0 74 95 77 94 355 16.9 4.074 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1656 1474.3 8.3 scans 68% 57 m/z (77) 0.57% 0.0621% 3943 1.2 162 89675 0.103% 3753856 3501979 6224605 2-0 20: 57 71 85 43 41 56 55 99 70 83 42 84 98 69 127 126 39 113 141 72 0.969 27.21 -1.5 94 98 96 98 198 18.5 1.310 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8356 1499.4 8.1 scans 54% 71 m/z (123) 0.76% 0.0858% 4057 1.3 188 67204 5188112 4926041 1-2 17: 71 57 43 85 70 41 55 169 135 107 99 79 56 81 113 140 150 0.702 27.84 314.1 62 91 79 97 212 7.7 0.169 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9643 1504.2 10.4 scans 83% 118 m/z 0.088% 0.416% 4079 1.3 378 576164 25185160 23056136 2-3 20: 118 146 145 105 78 51 119 117 104 91 41 147 65 63 42 39 64 77 50 76 0.961 27.93 317.5 79 99 95 99 146 164.9 19.049 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3858 1520.0 8.5 scans 19% 80 m/z (123) 2.1% 0.00811% 4150 0.8 58 24256 490580 448529 2-1 3: 80 170 163 0.787 28.39 326.6 66 94 76 94 171 28.2 23.993 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6568 1530.2 8.0 scans 79% 43 m/z (163) 0.13% 0.283% 4196 0.9 347 391123 17138280 15621456 7-4 19: 43 69 41 151 107 136 125 67 93 109 53 83 121 39 81 68 108 79 91 0.984 28.67 332.8 77 99 98 99 194 20.4 0.346 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0895 1546.5 7.5 scans 66% TIC 0.18% 0.154% 4269 1.1 314 276698 9362295 8511812 1-1 0.906 29.10 342.6 73 95 90 93 227 6.5 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1010 Contamination 29.61min 29.5039 1562.1 8.1 scans 89% 73 m/z 0.034% 1.25% 4339 0.9 753 1480120 76130317 72342026 2-2 20: 73 281 147 327 282 415 341 503 283 399 221 416 148 329 325 328 207 417 342 385 0.986 29.61 -151.0 80 99 97 99 503 129.9 2.975 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1022 ?? Nicotyrine 29.6473 1567.5 10.6 scans 11% 158 m/z 0.13% 0.145% 4364 0.9 235 371699 8809063 8249585 2-2 20: 158 157 130 116 63 89 156 90 42 143 118 142 50 62 76 132 75 127 104 74 0.565 29.68 354.9 69 94 64 92 158 153.5 42.768 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7607 1571.7 7.7 scans 73% 123 m/z 0.035% 0.382% 4383 1.0 426 1434005 23127115 21205267 1-3 19: 123 43 135 124 107 91 95 79 109 77 39 81 67 93 53 97 105 193 136 0.914 29.77 357.7 78 99 90 98 193 35.8 0.708 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9384 1578.4 9.1 scans 79% 71 m/z (74) 0.11% 0.423% 4413 0.7 389 431177 25575453 23741265 1-3 20: 71 85 57 43 99 113 41 69 127 55 155 84 70 56 83 169 126 86 112 42 0.978 29.94 362.0 78 99 99 100 254 10.4 0.071 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.1662 1587.0 8.0 scans 55% 57 m/z 0.40% 0.0850% 4452 1.2 214 127205 0.130% 5142387 4751783 7856298 1-0 20: 57 85 71 43 41 99 55 113 70 56 127 69 84 155 98 178 112 183 83 42 0.851 30.38 -7.9 79 84 87 86 212 2.6 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4986 1600.0 7.9 scans 71% 191 m/z 0.050% 0.269% 4508 1.0 355 1015843 16280715 15262527 2-2 15: 191 206 192 74 163 175 115 73 207 128 147 119 161 133 117 0.909 30.50 375.2 79 99 86 99 206 101.0 8.104 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8239 1613.7 8.2 scans 52% 124 m/z (71 162) 0.61% 0.0610% 4563 0.9 163 83071 3688620 3577273 2-1 9: 124 137 180 138 54 59 96 181 152 0.969 30.81 384.3 74 97 91 99 180 41.0 6.315 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8681 1615.5 >11 scans 65% TIC 0.57% 0.0558% 4571 1.2 185 89660 0.125% 3373232 3183042 7554133 0-1 0.916 30.88 -0.5 90 90 81 94 204 15.5 0.699 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2176 1630.2 11.4 scans 81% TIC 0.060% 0.851% 4630 0.6 523 852645 1.02% 51465573 46275732 61641724 2-3 0.929 31.18 395.2 76 97 93 98 180 114.5 4.796 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5075 1642.4 9.4 scans 61% 43 m/z (155) 0.49% 0.0893% 4679 1.2 181 104425 5400825 4839273 2-2 20: 43 98 85 111 166 55 127 151 41 82 99 123 83 84 81 68 107 39 69 56 0.966 31.52 -0.3 93 96 95 96 166 32.2 3.176 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9142 1659.5 8.0 scans 57% 71 m/z (101) 0.93% 0.0626% 4748 0.7 158 54767 3784967 3392857 3-1 19: 71 57 85 43 83 55 99 69 41 82 113 70 84 127 56 155 97 112 169 0.899 31.92 -0.2 77 81 90 85 219 2.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0635 1665.8 6.8 scans 35% 221 m/z (70) 0.91% 0.0278% 4773 1.0 120 55896 1684058 1583451 2-2 16: 221 73 147 295 222 207 341 223 296 267 281 357 325 279 342 297 0.897 32.08 -0.6 93 96 85 96 355 20.8 3.014 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2312 1672.8 8.9 scans 61% TIC 0.50% 0.0565% 4801 1.1 181 101327 0.0962% 3416549 3159653 5813661 1-0 0.906 32.24 -0.3 89 92 87 90 226 8.7 0.230 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4343 1681.4 11.5 scans 40% 57 m/z (69) 1.0% 0.0619% 4836 0.9 140 47549 3742842 3525217 1-1 17: 57 71 107 56 197 99 55 41 109 113 123 149 97 83 168 51 141 0.709 32.44 -0.3 81 92 80 91 226 4.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6704 1691.3 9.0 scans 55% 205 m/z (104) 2.6% 0.0634% 4875 1.1 152 19463 3832884 3349994 2-8 18: 205 91 159 119 105 93 107 79 147 131 77 121 133 106 202 81 146 117 0.904 32.67 -0.2 91 94 86 95 220 10.3 0.461 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9272 1702.1 7.8 scans 58% 71 m/z 0.11% 0.116% 4919 0.9 234 439335 7016616 6345381 8-6 14: 71 43 159 111 243 56 155 173 72 143 89 73 160 244 0.899 32.93 -0.2 94 95 92 97 243 36.7 2.468 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0860 1708.7 7.3 scans 41% 83 m/z (179) 3.0% 0.0278% 4946 1.0 117 17025 1681496 1616755 0-1 20: 83 57 97 55 71 43 56 41 69 111 85 151 84 188 194 98 42 110 82 126 0.906 33.09 0.0 80 80 90 98 224 6.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3032 1717.9 7.2 scans 72% 57 m/z (135) 0.35% 0.0939% 4983 1.0 217 145292 5675222 5536751 3-1 19: 57 71 43 85 41 55 99 56 70 113 226 84 42 69 112 98 83 140 39 0.980 33.37 -2.9 95 98 98 99 226 23.6 1.184 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8883 1728.2 7.7 scans 42% 71 m/z 0.99% 0.0338% 5082 1.0 136 51556 2048079 1878886 9-1 18: 71 43 57 70 85 197 41 55 99 196 113 56 164 168 127 139 84 141 0.756 33.90 -0.1 85 94 87 92 197 26.6 3.850 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2714 1733.7 7.5 scans 34% 59 m/z (173) 1.0% 0.0225% 5147 1.0 104 47469 1359753 1250900 1-1 18: 59 44 72 71 43 142 41 182 113 98 86 42 166 125 60 211 39 49 0.873 34.27 0.1 66 71 49 87 211 14.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3989 1735.5 12.4 scans 95% TIC 0.010% 6.54% 5169 0.4 1443 5083485 395526060 380003725 2-1 0.996 34.39 452.5 81 100 99 100 415 178.2 1.527 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8057 1741.3 14.4 scans 88% 155 m/z 0.035% 1.23% 5237 0.2 575 1440144 74785201 69575072 1-2 20: 155 199 90 65 184 44 89 120 92 63 137 106 39 77 134 156 64 51 121 157 0.985 34.79 452.3 80 99 98 99 199 162.1 7.944 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8977 1742.6 8.2 scans 28% 68 m/z (71) 1.8% 0.0291% 5253 1.4 110 27062 1758733 1625775 2-1 2: 68 224 0.895 34.90 -0.1 91 96 93 98 224 14.7 1.800 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6835 1753.8 8.7 scans 65% 123 m/z (57) 0.20% 0.188% 5387 1.1 270 248290 11362652 10313815 2-3 18: 123 43 193 124 109 125 91 175 95 166 194 137 115 39 93 149 107 151 0.973 35.70 451.1 75 97 96 98 224 38.4 2.023 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9279 1757.3 9.1 scans 53% 91 m/z (85) 0.39% 0.128% 5428 1.2 221 128320 7771326 7245143 1-5 14: 91 155 184 65 148 199 92 44 159 108 105 145 120 89 0.885 35.94 450.9 66 92 78 92 238 6.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1947 1775.5 8.3 scans 56% 209 m/z 0.20% 0.128% 5642 1.1 240 252686 7762152 7377926 2-2 19: 209 224 181 210 167 165 178 105 166 179 103 225 77 194 152 91 115 89 119 0.911 37.20 449.2 79 99 90 99 224 77.6 10.436 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1016 Octadecane 37.2939 1776.9 8.8 scans 61% 71 m/z (216) 0.52% 0.117% 5659 1.2 205 97278 0.172% 7106920 6386345 10394487 0-5 20: 71 57 85 43 127 99 113 69 55 84 41 125 70 155 56 111 126 169 141 97 0.967 38.91 -23.1 80 86 94 85 254 3.4 0.000 -1.616 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0554 1787.8 8.6 scans 62% 57 m/z (195) 0.56% 0.0811% 5788 1.0 182 90300 4905669 4492215 2-2 19: 57 71 85 43 56 225 41 99 55 113 224 69 127 70 83 141 239 42 87 0.946 38.06 448.1 75 99 97 99 225 32.9 3.242 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5879 1795.4 12.4 scans 97% 73 m/z 0.011% 6.23% 5878 0.5 1406 4278048 377067939 363768603 2-2 20: 73 147 221 281 207 222 295 148 282 74 325 223 343 149 327 191 75 205 131 283 0.991 38.59 447.3 80 99 97 99 429 413.5 8.657 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.5879 1795.4 12.4 scans 55% 73 m/z (355) 0.013% 3.66% 5878 0.5 1064 3727514 221645995 213828453 2-2 20: 73 147 221 281 207 222 295 148 282 74 325 223 343 149 327 191 75 205 131 283 0.917 32.10 546.6 62 87 88 85 355 215.1 0.000 6.486 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4527 1867.3 8.5 scans 38% 74 m/z 0.54% 0.0488% 6025 0.9 147 93290 2950803 2776578 2-3 12: 74 87 143 75 199 157 256 225 88 129 59 101 0.707 39.45 505.8 70 96 70 93 256 23.3 2.532 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.9356 1927.2 >22 scans 95% 95 m/z 0.016% 12.5% 6107 0.1 1615 3162200 13.0% 758688945 758688945 785629818 0-0 20: 95 68 123 82 43 81 55 41 67 69 83 57 97 96 71 79 137 56 53 94 0.999 39.94 558.1 81 100 100 100 278 111.2 0.474 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9746 1932.0 >5 scans 71% 58 m/z 0.18% 0.167% 6113 1.8 372 280190 10142609 9417052 0-8 20: 58 43 59 71 109 85 55 110 41 69 95 57 124 250 83 56 81 165 96 125 0.937 39.88 563.7 76 97 92 96 250 39.7 1.136 0.092 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3394 1977.2 7.4 scans 47% 149 m/z (237) 0.14% 0.0679% 6175 1.0 179 355854 4107953 3785579 2-5 11: 149 150 223 104 76 167 132 205 50 75 162 0.984 40.31 602.3 72 95 78 95 223 39.5 4.889 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N406_R~1-N1110 Phytol 40.4091 1985.9 7.8 scans 89% 81 m/z (237) 0.10% 0.828% 6187 0.9 613 502274 0.858% 50080176 47424951 51851568 3-0 20: 81 82 95 68 123 57 43 69 79 55 83 67 41 96 71 109 124 97 111 110 0.997 40.66 -31.3 94 98 99 98 278 68.2 1.237 -0.253 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 40.6056 2010.2 6.9 scans 25% 147 m/z (69) 2.5% 0.0125% 6220 1.0 81 20032 759490 704248 3-2 16: 147 221 73 295 281 207 222 369 355 209 223 297 341 370 282 283 0.732 44.32 562.9 66 92 78 97 369 12.6 2.445 -3.714 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6056 2010.2 6.9 scans 21% 147 m/z (182) 2.5% 0.0108% 6220 1.0 75 19984 654775 607150 3-2 16: 147 221 73 295 281 207 222 369 355 209 223 297 341 370 282 283 0.768 40.63 630.1 69 98 84 97 369 12.6 2.806 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1254 Phytol 40.8589 2041.6 8.1 scans 82% 82 m/z 0.23% 0.292% 6263 1.1 378 218594 17679567 16746696 1-4 20: 82 95 81 68 123 57 43 69 71 67 55 96 41 83 79 97 109 124 278 85 0.958 40.87 -1.1 98 99 96 99 278 50.5 1.786 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0165 2061.2 8.7 scans 33% 138 m/z (126) 1.5% 0.0300% 6289 1.0 111 33408 1817151 1699044 1-0 9: 138 120 109 121 65 193 82 262 263 0.902 41.00 675.4 75 99 93 99 262 14.5 1.698 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1074 2072.4 9.7 scans 19% 109 m/z (74) 2.3% 0.0304% 6305 1.3 107 21789 1842800 1702768 1-1 15: 109 191 262 133 124 263 100 189 190 247 229 236 105 206 125 0.365 41.13 684.6 67 96 44 94 262 22.1 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2497 2090.1 7.5 scans 84% 79 m/z (191) 0.22% 0.281% 6329 0.9 366 226784 17031106 16525317 1-1 20: 79 67 93 95 80 91 55 108 41 121 81 77 94 107 135 87 105 78 59 122 0.987 41.26 -0.9 96 97 98 100 264 24.6 0.450 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4392 2113.6 8.6 scans 69% TIC 0.45% 0.186% 6361 0.8 298 113738 11286620 10282249 2-2 0.871 41.49 -83.0 84 99 88 99 276 20.2 0.460 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0401 2150.3 9.7 scans 94% 74 m/z 0.013% 3.22% 6463 0.4 1112 3730766 195041687 184282857 2-2 20: 74 87 143 43 55 227 75 270 41 69 239 129 83 185 59 171 97 101 88 84 0.994 42.01 748.3 80 99 99 99 272 28.3 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3099 2165.4 9.7 scans 91% 73 m/z 0.048% 1.03% 6509 1.0 624 1065630 62461629 58181679 2-3 20: 73 147 281 221 355 429 503 341 207 282 283 504 356 222 415 148 74 295 505 357 0.989 42.37 756.4 74 90 94 98 503 104.8 2.822 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9929 2203.8 8.0 scans 62% 82 m/z (252) 0.36% 0.0627% 6624 1.1 165 139085 3790263 3448058 2-3 10: 82 81 95 293 292 109 96 94 53 137 0.924 43.03 781.7 68 95 92 96 292 19.6 1.410 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1020 ?? Icosane 43.8519 2252.0 8.5 scans 48% 71 m/z (134) 1.7% 0.0321% 6770 1.1 112 29022 1944647 1698124 1-4 18: 71 57 85 127 43 55 84 41 126 69 239 113 70 267 86 155 169 183 0.926 43.94 -4.7 60 64 83 81 282 5.4 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN N419_R~1-N1158 ?? Manool oxide 44.2710 2276.0 7.8 scans 9.7% 275 m/z (221) 15% 0.00248% 6841 1.1 34 3273 149976 136023 1-0 8: 275 109 192 177 191 257 193 189 0.507 43.83 838.4 61 91 39 87 275 14.4 18.049 0.444 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1553 2326.9 8.9 scans 43% TIC 1.4% 0.0595% 6991 1.2 159 34721 3596318 3251604 2-6 0.565 44.90 14.7 86 91 56 87 272 13.5 0.000 0.254 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7870 2363.2 7.5 scans 70% 73 m/z 0.53% 0.0633% 7097 1.1 175 96376 3828750 3583917 2-2 20: 73 355 147 221 281 356 207 429 222 282 295 148 357 415 74 133 461 327 503 283 0.909 45.78 0.6 98 98 88 97 503 17.3 0.980 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9198 2370.9 >7 scans 83% TIC 0.14% 0.217% 7120 0.6 346 361187 0.702% 13139962 12684276 42424010 1-0 0.988 45.92 892.2 79 99 98 99 298 54.4 2.464 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1075 2381.7 8.1 scans 85% 79 m/z 0.096% 0.671% 7152 0.9 552 529031 40593584 37075770 2-6 20: 79 67 95 93 80 108 81 55 41 91 107 94 77 121 69 135 78 109 59 149 0.945 46.13 -1.5 96 96 94 99 292 40.6 0.540 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1022 Henicosane 46.1742 2385.5 20.4 scans 28% 71 m/z (93) 1.5% 0.0248% 7163 1.4 93 33240 0.0425% 1500604 1295215 2568405 0-9 13: 71 113 197 72 86 211 56 58 127 169 168 182 183 0.832 46.28 -6.2 80 85 70 83 296 6.4 0.477 -0.108 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4263 2400.0 8.4 scans 40% 177 m/z (191) 2.2% 0.0231% 7206 0.8 97 23252 1396861 1253312 3-4 5: 177 290 178 195 133 0.866 46.49 -4.0 93 96 79 94 290 14.6 2.278 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7551 2418.9 7.9 scans 78% 74 m/z 0.24% 0.134% 7262 1.1 252 209234 8108294 7613635 2-3 19: 74 87 43 143 75 55 298 255 41 69 57 199 83 129 88 97 267 101 56 0.941 46.76 923.8 79 99 94 99 298 46.0 3.334 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2640 2448.2 8.0 scans 35% 134 m/z (98) 8.3% 0.00854% 7348 0.8 61 6103 516637 454558 2-2 6: 134 191 119 137 84 192 0.718 47.36 -5.3 71 85 66 82 272 3.9 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.4948 2461.5 7.9 scans 38% 120 m/z (97) 3.9% 0.0105% 7387 1.3 69 12942 640328 598426 6-2 7: 120 121 138 84 168 93 306 0.745 47.50 948.7 67 98 81 96 168 7.7 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9405 2544.7 7.5 scans 48% 429 m/z (105) 4.3% 0.00722% 7632 2.4 68 11768 0.0104% 436776 402831 628504 0-6 17: 429 281 295 356 147 222 221 357 282 341 223 325 267 369 283 431 342 0.837 48.95 994.3 69 92 87 96 429 19.4 7.998 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3514 2625.9 7.6 scans 70% 74 m/z 0.94% 0.0357% 7871 1.2 130 54414 2162776 1994451 2-5 20: 74 87 43 75 326 143 55 283 69 41 57 129 83 71 97 227 59 101 241 67 0.840 50.36 1038.9 75 97 84 96 326 26.5 4.133 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN HCMIX_~1-N1026 ? Tricosane 50.5781 2638.9 8.5 scans 38% TIC 4.1% 0.00494% 7909 1.1 55 12222 298654 271025 1-2 0.668 50.69 -6.3 76 82 57 76 324 5.0 0.854 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6201 2871.5 9.2 scans 37% 73 m/z (71) 5.7% 0.00593% 8594 1.3 46 8835 358751 314879 2-5 16: 73 356 147 221 281 283 282 429 295 355 223 222 74 401 341 431 0.657 45.81 1395.0 67 96 67 92 503 7.1 0.000 8.808 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0700 770.2 9.5 scans 57% 77 m/z (57) 0.12% 0.120% 31 2.6 173 343267 5665734 5278415 1-2 19: 77 55 84 45 78 56 79 62 83 76 59 63 75 61 85 92 39 53 38 0.695 4.37 16.2 97 99 97 100 77 146.9 72.019 -0.301 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5901 835.8 15.6 scans 69% 207 m/z 0.53% 0.0468% 458 2.6 93 80804 2209561 1963130 2-2 19: 207 208 209 96 191 193 177 133 119 163 117 147 176 134 178 165 194 89 103 0.875 6.53 -141.0 79 100 86 99 207 71.3 58.314 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6993 864.7 9.0 scans 92% 69 m/z (67) 0.057% 1.56% 646 1.4 622 743469 73902974 64431965 2-4 20: 69 55 83 41 39 42 57 98 70 97 56 80 43 53 40 79 54 68 51 38 0.999 7.71 9.4 99 100 100 100 98 128.1 4.238 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1018 ?? Pyranone 12.0235 977.3 9.5 scans 9.8% 101 m/z (94) 7.7% 0.00377% 1378 1.9 32 5576 178023 166376 2-0 2: 101 144 0.689 18.22 -66.2 63 85 52 83 144 13.9 18.611 -6.197 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2337 982.8 9.1 scans 37% 281 m/z 0.57% 0.0373% 1414 2.0 104 74913 1765100 1612012 1-4 20: 281 43 99 71 282 108 41 69 55 249 111 194 235 191 265 193 163 93 39 58 0.513 12.22 36.5 82 98 34 98 281 68.6 43.772 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6788 994.3 >10 scans 55% TIC 0.76% 0.0289% 1489 0.9 102 56102 1367512 1257590 3-0 0.918 13.22 30.7 94 98 91 98 110 29.6 8.324 -0.543 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1016 Limonene 13.9120 1027.5 8.4 scans 59% 68 m/z 0.93% 0.0638% 1698 1.2 138 45841 3013321 2480154 2-9 20: 68 93 67 124 79 136 94 121 92 123 53 107 91 43 81 77 95 39 80 65 0.758 13.89 52.2 85 98 83 97 136 28.5 4.250 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0962 1032.5 9.8 scans 89% 79 m/z 0.10% 0.452% 1729 1.5 345 407756 21374711 19969371 2-4 20: 79 108 107 77 51 91 78 50 90 80 89 109 65 63 39 52 53 105 74 62 0.991 14.11 53.5 92 100 99 100 108 154.2 19.919 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4533 1042.2 9.1 scans 79% 91 m/z 0.077% 0.252% 1790 1.4 267 551905 11898996 10927679 2-5 18: 91 92 120 65 63 89 39 51 50 62 121 90 64 93 66 38 74 61 0.980 14.44 57.4 91 99 98 100 120 87.4 10.720 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1806 1061.9 11.4 scans 80% TIC 0.085% 0.413% 1913 1.8 298 500486 19529200 18213221 2-1 0.879 15.17 64.5 88 99 98 99 123 104.9 12.367 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN 98-86-2 ? Acetophenone 15.2650 1064.2 >11 scans 53% 120 m/z (122) 0.40% 0.0810% 1927 1.7 137 105914 0.271% 3825767 3585723 12793706 0-2 11: 120 121 107 77 78 106 50 104 125 61 52 0.929 15.29 -181.5 75 97 95 99 120 40.3 8.644 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4303 1068.7 8.6 scans 67% 95 m/z 0.24% 0.117% 1956 1.3 201 175405 5560227 5299363 1-1 20: 95 81 124 79 43 109 53 39 41 65 82 77 96 66 55 51 125 63 80 50 0.845 15.43 67.0 85 97 90 100 124 60.5 9.045 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 16.1263 1087.5 8.0 scans 71% 137 m/z (207) 0.70% 0.0373% 2073 1.2 110 61232 1765565 1600748 2-7 20: 137 152 124 138 151 105 135 69 109 68 95 107 94 79 42 39 111 80 93 40 0.926 21.00 2.2 66 68 55 70 155 0.0 0.000 -4.875 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1002 Undecane 16.6110 1101.0 9.3 scans 52% TIC 2.0% 0.0129% 2155 1.2 76 20742 612381 567779 1-0 0.802 16.59 1.0 90 95 83 94 156 10.5 1.930 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1016 ? Nonanal 16.7816 1108.2 8.4 scans 74% 57 m/z (268) 0.53% 0.130% 2184 1.0 194 80843 6155563 5363888 4-5 15: 57 56 41 98 55 70 44 69 95 68 96 42 114 54 45 0.942 16.82 85.8 78 97 91 97 124 13.4 0.481 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9640 1115.9 8.7 scans 61% 71 m/z 0.45% 0.0729% 2215 1.1 156 94777 0.0758% 3441639 3042367 3578461 2-5 19: 71 95 43 110 58 128 85 41 57 84 55 72 69 70 56 86 129 156 59 0.894 16.97 91.2 80 99 88 98 128 41.7 7.182 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0555 1119.8 9.5 scans 88% 91 m/z 0.046% 0.528% 2231 1.3 385 919558 24958706 23368929 2-4 20: 91 92 122 65 77 51 63 93 89 39 78 103 123 104 50 62 90 38 64 66 0.984 17.05 93.8 82 100 98 100 122 130.6 11.502 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0732 1162.8 9.5 scans 31% 355 m/z 0.92% 0.0315% 2403 1.5 97 46224 1488908 1398906 1-2 16: 355 267 356 357 268 269 251 249 325 252 340 237 193 207 339 205 0.693 18.13 -168.9 77 98 51 97 355 53.9 30.879 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN M4942-N1002 Pyranone 18.2733 1171.2 17.9 scans 91% TIC 0.062% 1.16% 2437 0.2 473 690022 1.22% 54876187 53530547 57595280 1-5 0.981 20.04 -219.3 80 100 98 100 144 208.2 19.411 -1.769 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.3442 1174.2 >8 scans 45% 60 m/z (95) 3.1% 0.0202% 2449 0.9 85 13803 955598 888449 0-3 17: 60 85 87 41 55 97 88 93 168 112 73 82 57 115 98 111 67 0.873 19.87 105.9 66 88 85 96 144 4.6 0.000 -1.527 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7143 1189.9 8.5 scans 43% 98 m/z 2.7% 0.0179% 2512 1.0 85 15721 847824 792427 1-1 19: 98 69 55 111 82 43 41 67 70 110 95 107 99 39 71 83 80 112 72 0.716 18.71 139.1 73 96 71 95 153 2.1 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8283 1194.7 9.1 scans 49% 70 m/z (81) 3.6% 0.0232% 2531 1.0 83 11696 1099859 1006915 1-1 11: 70 83 96 84 39 56 66 68 98 54 97 0.930 18.83 142.0 71 93 92 98 122 6.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1264 1207.3 >14 scans 32% TIC 1.6% 0.0114% 2582 1.8 71 26785 0.0173% 541006 523726 816720 1-0 0.769 19.12 150.2 73 99 83 98 97 14.1 3.891 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1064 ? Benzoic acid 19.2049 1210.6 13.8 scans 50% 122 m/z (43) 1.1% 0.0399% 2595 0.3 89 36286 1885030 1726249 1-8 15: 122 105 77 123 78 106 74 76 49 38 37 75 94 115 65 0.907 20.03 139.9 73 97 91 97 122 45.7 26.391 -0.824 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1266 ?? Octanoic acid 19.4392 1220.5 >6 scans 67% TIC 0.91% 0.0287% 2635 999.0 131 47102 0.134% 1355639 1326087 6326039 0-2 0.880 22.03 -88.6 61 80 79 87 175 0.0 0.000 -2.595 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1024 ?? p-Cymene 19.7562 1233.9 11.2 scans 19% 119 m/z (57 133) 1.6% 0.0173% 2688 1.1 64 26129 818231 773660 2-4 6: 119 91 120 65 134 64 0.759 13.76 34.4 69 79 69 80 134 24.4 14.462 5.999 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7999 1235.7 8.8 scans 86% 57 m/z 0.14% 0.246% 2696 1.1 284 292741 11645640 11045070 1-5 20: 57 45 41 75 87 56 89 59 100 72 101 43 85 60 73 71 58 44 55 132 0.970 19.81 168.2 78 97 94 100 144 6.9 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3324 1258.1 11.1 scans 27% 85 m/z (132) 5.1% 0.00888% 2786 0.8 47 8317 419322 401199 1-0 3: 85 56 84 0.806 20.32 0.4 80 91 77 87 170 5.2 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5266 1263.9 8.2 scans 72% 57 m/z 0.70% 0.111% 2818 1.0 196 60948 5271463 4678496 5-2 20: 57 55 41 43 82 70 71 68 83 44 56 112 69 81 67 88 96 45 84 39 0.906 20.56 185.2 79 98 98 99 128 18.1 0.850 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1034 ? Decanal 20.5266 1263.9 8.2 scans 78% 57 m/z (110) 0.69% 0.132% 2818 1.0 204 62115 6270119 5564817 5-2 20: 57 55 41 43 82 70 71 68 83 44 56 112 69 81 67 88 96 45 84 39 0.972 20.57 -143.1 72 90 93 99 138 10.9 0.285 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9393 1276.3 10.9 scans 52% 94 m/z (137) 0.56% 0.0486% 2889 1.8 106 75461 2296698 2101167 4-2 5: 94 138 66 140 139 0.931 20.98 191.3 75 97 91 98 152 4.0 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N407_R~1-N1120 ?? Caryophyllene oxide 20.9947 1278.0 10.4 scans 19% TIC 1.2% 0.0398% 2898 0.9 108 35617 0.0502% 1879425 1740350 2369904 2-0 0.218 32.87 17.7 63 66 31 64 206 0.0 0.000 -11.878 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1719 1283.3 8.7 scans 10% 281 m/z 1.3% 0.0115% 2928 1.7 57 32270 542942 481395 2-4 17: 281 282 283 251 193 266 133 267 207 265 249 194 179 209 191 284 269 0.712 12.25 130.2 75 97 62 96 281 45.0 61.360 8.921 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8986 1335.1 8.7 scans 42% 109 m/z (82) 0.36% 0.114% 3220 0.8 178 117760 5387035 4796926 3-4 5: 109 69 86 110 128 0.915 22.91 221.5 68 92 87 92 127 21.0 1.382 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.0893 1340.8 >19 scans 78% 60 m/z 0.27% 0.346% 3253 0.2 256 155063 16357736 14922626 1-5 20: 60 73 57 115 41 129 55 43 98 69 61 101 39 74 45 56 84 70 96 42 0.941 25.35 191.6 76 96 94 99 162 0.0 0.000 -2.265 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.0893 1340.8 >19 scans 75% 60 m/z (81) 0.25% 0.367% 3253 0.2 251 166048 17346999 15825098 1-5 20: 60 73 57 115 41 129 55 43 98 69 61 101 39 74 45 56 84 70 96 42 0.980 22.70 -134.5 73 94 94 97 158 15.8 0.396 0.393 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8325 1363.1 8.8 scans 28% 57 m/z (110) 1.7% 0.0239% 3379 1.2 80 25163 1130081 1027796 2-2 13: 57 85 71 41 115 184 70 128 44 56 86 98 140 0.439 23.86 -0.9 73 89 65 87 184 10.6 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0928 1371.7 7.0 scans 52% 341 m/z 0.48% 0.0616% 3423 1.1 158 89201 2908614 2745090 1-5 19: 341 73 429 342 325 343 430 147 431 326 327 207 74 344 432 191 148 295 75 0.900 24.17 -152.1 78 98 85 98 429 51.5 10.658 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5427 1386.7 7.2 scans 56% 71 m/z (103) 1.1% 0.0316% 3499 0.9 114 37006 0.0427% 1495386 1400483 2015835 0-6 20: 71 57 85 43 113 99 127 70 84 41 169 86 55 155 112 56 69 42 126 72 0.963 24.54 249.4 75 98 97 98 169 13.4 1.394 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.6849 1391.5 8.4 scans 64% 43 m/z 0.67% 0.0533% 3523 0.9 143 63176 2516917 2297133 1-2 20: 43 83 69 55 41 82 142 85 39 56 58 113 67 111 70 71 93 128 68 127 0.899 24.70 251.9 71 91 84 97 170 5.6 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4152 1415.9 11.1 scans 94% TIC 0.012% 2.63% 3647 0.7 837 3533193 124273685 118164316 1-3 0.995 25.89 258.9 78 96 94 97 162 220.7 6.962 -0.477 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7770 1428.0 7.7 scans 43% 93 m/z (85) 1.6% 0.0281% 3708 1.2 101 25871 1327679 1256274 3-2 9: 93 43 121 136 71 194 70 154 155 0.860 25.78 272.7 70 94 90 95 194 13.2 1.726 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0940 1472.0 6.5 scans 39% 221 m/z (92) 2.0% 0.0137% 3931 1.0 75 20748 647811 607535 1-2 19: 221 147 73 281 267 148 355 268 223 443 356 191 282 249 74 444 205 283 357 0.819 27.12 297.1 73 96 81 95 355 15.2 4.065 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1661 1474.4 7.9 scans 61% 57 m/z 0.66% 0.0411% 3943 1.2 128 64334 0.0702% 1942160 1872981 3314089 1-0 20: 57 71 85 43 41 198 55 56 99 84 70 83 42 170 127 112 126 98 169 69 0.905 27.21 -1.4 93 94 86 93 198 17.0 1.749 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8367 1499.4 8.0 scans 63% 71 m/z (97) 0.76% 0.100% 4057 1.2 181 55790 4740526 4312539 2-1 20: 71 57 43 85 70 107 135 168 55 41 169 69 99 91 56 113 133 81 109 150 0.909 27.84 314.1 60 81 84 97 212 7.7 0.181 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1032 Myosmine 27.9494 1503.6 10.9 scans 88% 118 m/z 0.049% 0.839% 4076 1.1 469 866148 39615265 36400010 2-3 20: 118 146 145 105 78 51 119 104 58 147 91 117 63 65 41 45 42 39 77 64 0.984 27.93 316.9 80 99 98 99 146 203.4 18.773 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6572 1530.2 8.1 scans 76% 43 m/z (99) 0.14% 0.285% 4196 1.0 299 298772 13483894 11803003 7-10 20: 43 69 41 151 136 107 67 125 93 109 83 121 53 81 39 68 108 79 91 95 0.948 28.67 332.8 77 99 95 99 194 19.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0900 1546.5 7.6 scans 73% 71 m/z (166) 0.21% 0.203% 4269 1.1 271 196509 0.301% 9626041 9372395 14209983 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 183 97 69 42 127 177 140 0.981 29.10 342.6 71 94 95 94 227 6.0 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5014 1562.0 8.2 scans 92% 281 m/z 0.021% 2.36% 4339 0.9 910 2010953 111754425 106638348 2-2 20: 281 73 147 327 282 415 283 399 328 416 148 504 326 74 417 505 342 343 400 149 0.991 29.61 -151.1 79 98 97 99 503 157.9 3.015 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1022 ?? Nicotyrine 29.6431 1567.3 10.4 scans 13% 158 m/z (177) 0.16% 0.160% 4363 1.0 207 265754 7574290 7018434 3-2 17: 158 157 130 89 90 156 143 118 116 62 76 208 101 87 61 114 194 0.748 29.68 354.7 68 96 73 95 158 129.2 39.130 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7576 1571.6 7.8 scans 75% 123 m/z 0.043% 0.346% 4382 1.0 358 995900 16357926 15141008 1-3 17: 123 135 124 107 91 95 79 109 77 39 81 53 93 67 97 105 125 0.952 29.77 357.6 78 98 94 98 193 29.8 0.694 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9377 1578.4 9.2 scans 76% 71 m/z (74) 0.13% 0.407% 4413 0.8 334 327847 19237802 18035079 1-2 20: 71 85 57 43 99 113 127 69 41 155 70 55 84 56 169 83 126 112 86 72 0.956 29.94 362.0 76 99 96 99 254 9.5 0.081 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 30.1632 1586.9 7.9 scans 50% 57 m/z 0.47% 0.0759% 4451 1.4 184 90051 0.113% 3584736 3362807 5334645 1-0 20: 57 85 71 43 99 41 55 113 56 70 127 69 84 155 178 149 169 98 86 141 0.835 30.38 -8.0 79 86 88 86 212 2.7 0.000 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5020 1600.2 8.8 scans 69% TIC 0.078% 0.169% 4509 1.3 258 544903 0.209% 8006161 7643376 9866732 1-0 0.918 30.50 375.4 78 98 84 98 206 74.0 8.230 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8196 1613.5 8.5 scans 53% 124 m/z (71) 0.50% 0.0771% 4562 0.9 158 85674 3643380 3416733 2-2 8: 124 137 180 125 138 96 181 152 0.989 30.81 384.1 76 98 95 99 180 41.2 6.835 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8798 1616.0 >11 scans 48% TIC 0.48% 0.0468% 4573 1.0 152 88601 0.0971% 2211534 2095260 4584018 0-1 0.689 30.88 0.0 89 93 70 92 204 13.7 0.806 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2069 1629.8 10.7 scans 81% TIC 0.068% 0.682% 4628 0.7 446 627727 32211344 29472470 3-0 0.947 31.18 394.8 78 98 94 98 180 99.8 5.005 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5086 1642.5 9.0 scans 72% 43 m/z (139) 0.31% 0.142% 4679 1.1 206 137550 6720863 6058831 2-1 20: 43 98 111 166 55 85 71 151 127 82 41 83 67 123 68 69 107 39 81 99 0.965 31.52 -0.2 96 99 97 99 166 40.8 3.924 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7860 1654.1 8.8 scans 19% 193 m/z (237) 1.8% 0.0128% 4726 0.9 64 22734 605851 565083 1-1 7: 193 208 194 151 197 87 175 0.664 31.80 -0.4 65 77 47 81 208 13.4 4.422 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9123 1659.4 7.9 scans 56% 71 m/z (143) 1.1% 0.0571% 4748 0.8 132 38878 2696791 2324209 3-1 20: 71 57 85 43 55 70 84 99 69 41 56 111 127 183 155 112 126 68 125 97 0.942 31.92 -0.3 77 82 90 85 219 2.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0634 1665.8 6.8 scans 47% 221 m/z 0.53% 0.0497% 4773 1.0 144 80283 2349719 2187366 3-2 19: 221 73 147 295 222 207 355 223 341 281 325 342 267 148 356 74 296 205 343 0.899 32.08 -0.6 96 97 89 97 355 26.9 3.481 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2305 1672.8 8.6 scans 57% TIC 0.64% 0.0448% 4801 1.0 148 66434 2117796 1891016 1-1 0.872 32.24 -0.3 89 94 86 92 226 8.2 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4176 1680.7 13.9 scans 40% 71 m/z (160) 1.0% 0.0777% 4833 1.3 121 42209 0.0873% 3670241 3081107 4121367 2-2 12: 71 164 97 86 84 177 132 154 112 183 110 44 0.571 32.44 -1.0 71 85 75 84 226 5.0 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6697 1691.2 8.7 scans 53% 205 m/z (153) 3.1% 0.0503% 4875 1.1 123 13488 2374784 2123385 3-2 10: 205 91 105 93 187 106 202 131 146 133 0.870 32.67 -0.3 90 96 86 95 220 8.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8651 1699.5 8.1 scans 17% 70 m/z (149) 2.2% 0.0168% 4909 1.2 72 19495 0.0220% 795679 728921 1038603 2-0 8: 70 201 97 171 130 152 183 224 0.786 32.87 -0.0 67 77 71 80 186 2.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9289 1702.1 7.9 scans 58% 71 m/z 0.11% 0.129% 4920 0.9 217 379565 6107957 5537948 7-3 14: 71 43 159 111 243 56 138 72 173 143 155 89 124 73 0.885 32.93 -0.2 94 95 89 97 243 35.1 2.617 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0853 1708.7 7.5 scans 38% 97 m/z (177) 3.4% 0.0231% 4946 1.0 94 12627 1092219 1037408 1-1 19: 97 57 55 69 85 111 43 71 56 41 70 99 98 82 86 84 112 151 110 0.832 33.09 0.0 82 88 92 97 224 4.7 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3049 1717.9 7.4 scans 72% 57 m/z (281) 0.41% 0.0887% 4983 0.9 182 102960 4189915 3989261 4-1 20: 57 71 85 43 41 55 99 70 56 113 226 42 98 69 84 112 97 83 154 126 0.971 33.37 -2.9 94 97 97 98 226 22.2 1.491 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8911 1728.2 7.5 scans 54% 71 m/z (182) 1.2% 0.0409% 5083 0.9 122 35589 1931588 1817347 1-1 18: 71 43 57 85 70 197 41 55 99 196 56 113 141 69 127 164 84 42 0.904 33.90 -0.1 87 91 92 98 197 23.4 3.659 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4000 1735.5 12.6 scans 97% 73 m/z 0.0081% 8.78% 5169 0.3 1449 5292263 414731085 403394162 2-1 20: 73 221 147 357 267 207 74 385 191 133 131 399 45 341 205 328 326 417 268 251 0.993 34.39 452.5 81 100 98 100 415 177.9 1.509 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7489 1740.5 10.6 scans 81% 91 m/z 0.061% 0.564% 5228 0.5 392 696038 26649510 25395949 2-2 20: 91 155 199 90 65 184 92 89 120 44 137 63 106 77 39 200 64 156 51 134 0.969 34.79 451.5 80 99 95 99 199 113.3 8.358 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9006 1742.6 8.2 scans 18% 68 m/z (57) 2.4% 0.0176% 5254 1.0 77 17796 831959 772674 2-3 1: 68 0.799 34.90 -0.1 87 97 71 93 224 12.3 2.591 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6810 1753.8 9.0 scans 50% 123 m/z (57) 0.29% 0.123% 5386 1.1 190 145950 5806910 5252784 4-5 16: 123 124 109 91 125 77 194 95 121 39 103 191 107 147 53 116 0.752 35.70 451.1 72 98 80 96 224 34.2 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4939 1765.4 7.0 scans 34% 221 m/z 0.54% 0.0646% 5524 1.2 161 78621 3050140 2831098 2-4 20: 221 73 147 295 207 281 222 369 341 296 223 197 209 355 282 74 370 327 212 298 0.843 36.58 448.9 75 96 84 98 369 26.4 2.696 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1987 1775.5 8.3 scans 57% 209 m/z 0.19% 0.137% 5643 0.9 218 220012 6479132 5818355 3-3 20: 209 224 181 210 165 167 178 105 166 194 225 179 103 91 77 193 152 115 89 119 0.893 37.20 449.2 79 99 88 99 224 72.1 10.915 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0547 1787.8 8.6 scans 56% 57 m/z 0.68% 0.0514% 5788 1.0 141 62720 2428059 2236451 1-2 20: 57 71 85 43 56 225 41 55 99 69 113 127 70 224 141 98 239 83 197 97 0.864 38.06 448.1 75 97 86 95 225 27.8 3.881 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5624 1795.0 8.9 scans 94% 73 m/z 0.014% 3.74% 5874 1.0 1085 2906496 176739463 164752415 2-3 20: 73 429 147 221 355 430 281 431 207 222 148 295 282 267 432 327 402 283 475 149 0.995 38.59 446.9 80 99 98 100 429 326.6 9.060 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8274 1798.8 11.5 scans 48% 57 m/z (239) 0.94% 0.0559% 5918 0.8 117 45605 2642057 2550031 1-0 20: 57 85 43 71 254 41 197 56 99 154 169 113 140 72 69 168 42 86 255 182 0.925 38.91 -1.2 88 95 89 93 254 12.2 0.000 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4591 1868.1 9.0 scans 34% 97 m/z 0.74% 0.0326% 6026 0.7 107 57471 1540912 1297953 9-2 18: 97 143 228 88 84 129 60 225 98 199 73 213 111 56 144 70 221 45 0.595 39.45 506.6 74 98 59 95 256 19.4 3.312 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.9320 1926.7 >23 scans 96% TIC 0.013% 16.3% 6106 0.2 1594 3101103 16.9% 769688737 769688737 797836250 0-0 0.999 39.94 557.6 81 100 100 100 278 111.2 0.487 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9751 1932.0 >5 scans 73% TIC 0.21% 0.146% 6113 1.7 312 199164 6939547 6539971 0-8 0.966 39.88 563.7 74 95 92 95 250 33.5 1.152 0.092 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3387 1977.1 7.6 scans 45% 149 m/z (237) 0.18% 0.0564% 6175 1.1 142 231673 2665555 2513728 2-6 11: 149 150 223 104 76 167 205 50 132 75 206 0.966 40.31 602.2 71 95 76 95 223 33.5 5.581 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N406_R~1-N1110 Phytol 40.4095 1985.9 7.9 scans 89% 81 m/z 0.093% 0.958% 6187 0.8 587 461129 45237615 40249190 3-9 20: 81 82 95 68 123 57 43 69 55 79 83 67 41 96 71 124 109 111 110 278 0.992 40.66 -31.3 96 98 98 98 278 67.7 1.327 -0.252 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5949 2008.9 7.2 scans 52% 221 m/z 0.67% 0.0500% 6218 1.1 141 63445 2363759 2196176 2-3 20: 221 73 147 295 207 281 222 369 223 296 355 372 148 282 297 74 370 283 371 209 0.875 40.63 628.8 74 97 88 98 369 25.0 3.166 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1254 Phytol 40.8594 2041.7 8.1 scans 84% 82 m/z 0.21% 0.329% 6263 1.0 347 197378 15553178 14866213 1-4 20: 82 95 81 123 57 68 43 55 67 96 69 71 83 79 41 278 109 97 124 85 0.954 40.87 -1.0 98 99 95 98 278 49.8 2.055 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0135 2060.8 >11 scans 51% TIC 1.1% 0.0343% 6289 1.1 127 38796 1621798 1473914 1-1 0.910 41.00 675.0 78 99 93 100 262 17.1 1.815 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2490 2090.0 7.8 scans 76% TIC 0.26% 0.214% 6329 1.0 295 162673 10149431 9680083 1-1 0.888 41.26 -1.0 98 100 89 98 264 22.3 0.575 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4361 2113.2 8.7 scans 66% TIC 0.54% 0.160% 6361 0.9 242 79502 7575822 6910396 1-3 0.840 41.49 -83.4 83 99 85 98 276 17.1 0.498 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0282 2149.6 8.9 scans 94% 74 m/z 0.015% 2.71% 6461 0.6 939 2727347 127963000 120688805 2-2 20: 74 87 143 43 55 75 227 41 69 57 239 129 83 185 59 97 171 101 199 88 0.993 42.01 747.6 80 99 99 99 272 23.8 0.064 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3281 2166.4 8.3 scans 85% 73 m/z 0.12% 0.341% 6512 1.0 342 338052 16141511 15056658 2-3 20: 73 147 281 221 355 429 503 341 207 282 283 430 504 222 356 148 74 295 505 431 0.960 42.37 757.4 75 93 94 98 503 58.0 2.869 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9952 2203.9 7.8 scans 63% 82 m/z (113) 0.35% 0.0625% 6625 0.9 148 122601 2951038 2721158 2-3 11: 82 81 95 109 96 137 94 293 108 292 53 0.926 43.03 781.8 68 95 91 95 292 18.7 1.596 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1020 ? Icosane 43.8559 2252.2 8.6 scans 42% 71 m/z (205) 2.1% 0.0268% 6770 1.2 89 19796 1268289 1104212 2-4 17: 71 57 85 267 55 69 99 41 113 126 84 72 183 141 56 127 155 0.842 43.94 -4.5 70 88 84 85 282 3.6 0.000 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1576 2327.0 8.9 scans 35% 137 m/z 2.2% 0.0379% 6991 1.0 112 19300 1792256 1647719 2-8 20: 137 81 95 69 55 93 257 71 41 121 123 109 107 79 119 97 140 189 67 110 0.486 44.90 14.8 83 90 48 85 272 10.3 0.000 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7880 2363.3 7.7 scans 54% 73 m/z 1.0% 0.0326% 7098 1.1 109 41873 1540378 1445059 2-1 20: 73 355 147 221 356 357 207 222 281 296 429 415 295 223 148 341 74 279 327 431 0.772 45.78 0.7 95 96 74 95 503 11.4 1.101 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1045 2381.5 8.1 scans 87% 79 m/z 0.11% 0.658% 7151 1.0 481 390315 31079772 28588230 2-5 20: 79 67 95 93 80 108 81 55 91 41 107 94 121 77 135 69 149 59 109 78 0.958 46.13 -1.7 96 96 95 99 292 36.8 0.585 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4250 2399.9 8.8 scans 32% 177 m/z (71) 2.2% 0.0194% 7205 1.1 76 19210 919749 847824 1-3 6: 177 195 121 122 148 178 0.734 46.49 -4.1 89 95 62 91 290 13.9 3.305 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN HCMIX_~1-N1022 ?? Henicosane 46.6251 2411.5 8.0 scans 27% 71 m/z (121) 7.2% 0.00700% 7240 0.8 46 5916 330630 280933 6-1 16: 71 127 85 57 177 99 197 141 155 125 70 126 72 83 41 183 0.767 46.28 19.8 66 79 67 74 296 0.0 0.000 0.343 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7603 2419.2 8.1 scans 69% 74 m/z 0.46% 0.0733% 7263 0.9 163 92050 3460904 3273945 2-3 19: 74 87 143 75 43 298 55 255 41 57 83 59 267 199 97 144 185 213 56 0.887 46.76 924.1 77 98 87 97 298 32.2 3.912 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2585 2447.9 8.3 scans 26% 134 m/z (91) 8.0% 0.00613% 7347 1.1 46 5350 0.00723% 289828 277576 341323 0-5 9: 134 81 119 178 135 191 133 121 148 0.733 47.36 -5.6 79 87 61 84 272 5.5 0.000 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1020 ? Contamination 44.32min 47.6777 2472.0 7.3 scans 24% 221 m/z (131) 7.0% 0.00422% 7418 1.2 39 6087 199607 176825 1-6 13: 221 295 73 147 222 296 369 297 281 370 282 223 371 0.685 44.32 1024.7 70 99 71 96 369 9.3 5.695 3.358 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9316 2544.2 7.8 scans 60% 73 m/z (117) 2.3% 0.0161% 7631 1.0 75 18079 764218 721826 1-5 17: 73 355 147 221 430 429 283 207 431 222 282 325 267 205 432 341 295 0.821 48.95 993.8 70 96 83 98 429 21.5 8.312 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8454 2711.8 8.5 scans 53% 73 m/z (246) 2.7% 0.0136% 8124 1.3 65 15494 644858 595852 2-4 19: 73 147 356 221 429 355 281 504 431 282 295 222 296 325 503 283 369 341 401 0.716 51.86 1080.9 72 97 73 94 503 10.7 2.723 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0920 770.8 5.5 scans 82% TIC 0.055% 0.246% 35 1.8 281 731353 7947498 6580285 1-8 0.989 4.37 16.8 100 100 98 100 77 241.2 73.702 -0.279 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.1540 824.5 >12 scans 49% TIC 2.1% 0.00701% 384 0.9 52 18669 0.0194% 226099 209226 625701 1-0 0.958 6.03 -137.1 74 95 88 95 102 7.0 1.802 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5850 835.7 16.4 scans 74% 207 m/z 0.53% 0.0663% 457 2.9 103 75444 2141120 1897300 2-2 19: 207 208 209 96 133 147 193 177 163 192 103 210 119 161 75 134 149 176 179 0.900 6.53 -141.1 80 100 89 99 207 77.5 56.322 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6854 864.3 8.9 scans 89% 55 m/z 0.39% 0.256% 643 1.7 259 101827 0.313% 8281538 7923842 10095070 1-0 20: 55 69 41 83 39 42 57 98 70 97 43 80 56 53 54 40 68 79 51 38 0.970 7.71 9.0 100 100 97 99 98 55.8 4.656 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKSTART-N1002 Contamination 12.22min 12.8543 998.9 9.6 scans 49% 281 m/z 0.57% 0.0777% 1519 2.2 133 70389 2506583 2275141 2-2 20: 281 108 282 41 283 55 69 111 265 249 191 251 67 93 193 39 58 68 207 177 0.566 12.22 52.6 85 95 48 99 281 74.8 31.443 0.634 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.7717 1023.7 10.3 scans 85% 81 m/z 0.11% 0.336% 1674 1.8 266 349270 10848578 10018373 1-4 20: 81 110 53 39 41 67 79 68 77 65 82 51 55 50 54 40 52 63 109 38 0.963 13.22 60.1 89 98 96 98 110 73.0 7.534 0.550 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1024 ?? p-Cymene 14.2321 1036.2 >11 scans 26% TIC 5.1% 0.00235% 1752 0.0 38 7836 0.00361% 76093 73861 116432 1-0 0.733 13.76 -163.3 69 92 73 95 134 14.3 14.559 0.475 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1016 Limonene 14.3874 1040.4 8.2 scans 82% 68 m/z 0.31% 0.232% 1779 1.2 260 130151 7505055 6849824 2-3 20: 68 93 67 79 94 136 121 92 107 91 53 77 39 41 80 81 124 95 123 65 0.929 13.89 65.1 84 93 91 99 136 51.6 3.930 0.495 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5515 1044.9 9.9 scans 86% 79 m/z 0.17% 0.371% 1806 1.5 292 234859 11971290 10771888 2-4 20: 79 108 107 77 51 91 78 50 80 89 65 63 39 52 53 74 105 62 64 38 0.976 14.11 65.9 89 100 98 100 108 129.6 19.682 0.442 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8868 1053.9 9.5 scans 88% 91 m/z 0.064% 0.433% 1863 1.4 321 627103 13969255 12450320 2-5 20: 91 92 120 65 63 39 89 51 62 50 90 121 64 93 38 61 66 74 52 75 0.988 14.44 69.1 88 100 99 100 120 104.6 10.640 0.445 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.4027 1067.9 8.1 scans 35% 70 m/z (138) 4.9% 0.0125% 1950 1.4 61 8147 404225 387959 1-1 14: 70 83 55 41 69 39 97 84 68 67 42 93 108 66 0.874 18.83 15.2 73 80 72 79 122 2.3 0.000 -3.427 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5615 1072.2 11.0 scans 83% 105 m/z 0.11% 0.378% 1977 1.8 279 351679 0.447% 12195746 11196371 14416920 3-0 20: 105 77 123 51 46 106 50 78 74 75 52 62 79 39 66 64 49 53 37 67 0.928 15.17 74.8 86 99 97 99 123 101.0 13.061 0.392 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN 98-86-2 ? Acetophenone 15.6625 1075.0 >10 scans 58% 106 m/z 0.36% 0.0731% 1993 3.1 154 110781 2360082 2122115 0-2 3: 106 91 59 0.938 15.29 -170.7 79 99 93 99 120 51.3 11.182 0.369 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.7894 1078.4 8.8 scans 74% 95 m/z 0.19% 0.243% 2016 1.4 258 210958 7838221 6864422 2-6 19: 95 81 124 79 43 109 53 39 41 91 65 119 82 120 96 66 67 51 77 0.905 15.43 76.7 77 87 84 100 124 74.9 8.397 0.356 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1002 ? Undecane 16.8904 1112.8 8.8 scans 40% 57 m/z 1.9% 0.0242% 2202 1.2 90 20666 781310 718340 2-1 19: 57 71 43 41 85 55 93 69 268 156 70 121 72 84 67 99 83 253 94 0.602 16.59 12.8 71 90 78 93 156 10.8 0.000 0.303 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0539 1119.7 8.8 scans 64% 57 m/z 0.45% 0.176% 2231 1.1 216 89603 5681033 5094552 3-4 17: 57 41 56 98 55 44 70 82 69 68 95 96 67 81 42 54 114 0.893 16.82 97.3 72 91 79 90 124 4.3 0.000 0.239 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0539 1119.7 8.8 scans 72% 57 m/z (79) 0.45% 0.219% 2231 1.1 229 88696 7064147 6334881 3-4 17: 57 41 56 98 55 44 70 82 69 68 95 96 67 81 42 54 114 0.910 16.82 -171.7 76 98 89 97 124 13.2 0.000 0.239 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2446 1127.8 >9 scans 81% TIC 0.35% 0.128% 2263 0.8 214 114522 4157105 4040528 1-0 0.972 16.97 103.1 78 97 95 99 128 49.8 5.412 0.277 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.3260 1131.2 9.6 scans 88% 91 m/z 0.052% 0.661% 2276 1.3 397 770862 21334706 19353232 5-4 20: 91 92 122 65 77 93 51 63 39 89 78 103 104 50 123 90 62 64 52 102 0.991 17.05 105.2 81 100 98 100 122 132.8 11.215 0.274 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2676 1171.0 9.5 scans 47% 73 m/z 0.57% 0.0704% 2437 1.1 134 70535 2270620 2038742 6-1 17: 73 355 267 268 356 357 193 323 74 339 191 270 207 250 249 75 253 0.840 18.13 -160.7 79 99 83 98 355 56.2 17.593 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.4046 1176.8 11.5 scans 79% 144 m/z 0.13% 0.557% 2460 0.4 345 310266 17993712 16149896 1-7 19: 144 43 101 44 72 73 55 45 115 42 58 53 102 54 145 71 39 74 38 0.918 18.22 133.3 79 100 91 99 144 155.0 20.134 0.184 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN M4942-N1002 ? Pyranone 18.4046 1176.8 11.5 scans 87% 144 m/z (60) 0.13% 0.651% 2460 0.4 361 307021 21016128 18862605 1-7 19: 144 43 101 44 72 73 55 45 115 42 58 53 102 54 145 71 39 74 38 0.989 20.04 -213.7 78 100 99 100 144 154.8 18.406 -1.637 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1004 ?? Octanoic acid 18.4683 1179.5 >5 scans 28% TIC 2.5% 0.00969% 2470 5.6 79 15757 0.0121% 312711 312711 390257 0-0 0.475 19.87 111.2 68 95 60 92 144 4.9 0.000 -1.403 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9122 1198.2 8.6 scans 57% 98 m/z (105) 2.7% 0.0388% 2545 1.0 103 14845 1254322 1155600 1-1 20: 98 111 69 55 82 43 41 125 95 97 126 70 39 67 84 107 80 108 71 110 0.961 18.71 147.4 73 95 90 97 153 4.6 0.000 0.206 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.2234 1211.4 21.5 scans 54% 122 m/z (82) 1.2% 0.0756% 2598 0.3 97 32766 2438298 2264346 0-3 16: 122 105 77 50 51 106 123 115 74 78 94 45 49 87 59 124 0.838 20.03 140.7 72 95 88 96 122 46.7 23.015 -0.806 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2901 1214.2 8.2 scans 40% 82 m/z 1.3% 0.0169% 2609 1.2 77 29366 546873 518083 1-1 10: 82 81 39 43 54 97 53 83 107 37 0.798 19.12 157.1 75 100 81 99 97 14.0 0.000 0.169 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.9672 1242.8 10.6 scans 30% 57 m/z (119) 2.9% 0.0183% 2724 1.5 63 13513 592586 548901 1-1 11: 57 45 101 87 75 131 56 89 100 61 132 0.839 19.81 175.3 68 97 89 95 144 0.0 0.000 0.153 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4406 1261.3 11.1 scans 29% 71 m/z (107) 4.0% 0.0152% 2804 1.5 56 10071 492938 459297 1-1 8: 71 98 41 56 112 170 58 44 0.854 20.32 3.6 88 94 82 92 170 6.0 0.000 0.121 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1024 ?? Hexadecane 20.4872 1262.7 10.8 scans 28% 82 m/z (109) 5.4% 0.00952% 2812 0.8 48 7414 307142 275574 3-0 3: 82 83 99 0.525 33.32 -4.3 65 82 42 89 226 0.0 0.000 -12.832 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1034 ? Decanal 20.6520 1267.7 8.3 scans 75% 57 m/z (110) 0.75% 0.161% 2840 0.8 206 53465 5208018 4679049 3-2 19: 57 41 55 70 82 71 68 56 44 83 112 81 69 42 96 67 84 45 54 0.971 20.57 -139.3 76 97 98 99 138 10.1 0.000 0.083 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.0900 1280.8 15.9 scans 34% 135 m/z (94) 1.9% 0.0811% 2914 1.2 112 20674 2617423 2277924 2-4 6: 135 100 59 138 44 150 0.325 32.87 20.5 66 72 32 69 206 0.0 0.000 -11.783 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1213 1281.7 8.8 scans 82% 137 m/z (94) 0.47% 0.227% 2919 1.0 246 85659 7349524 6742516 3-3 20: 137 152 109 123 81 67 91 79 95 41 93 77 39 107 55 119 53 153 65 51 0.971 21.00 196.4 69 91 88 91 155 0.0 0.000 0.120 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2110 1284.4 7.8 scans 26% 281 m/z 1.2% 0.0163% 2935 1.4 67 31963 526125 455932 2-3 16: 281 282 267 283 125 193 207 208 133 265 126 191 284 266 285 205 0.661 12.25 131.3 75 97 67 96 281 50.4 55.949 8.960 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1042 ?? Phytol 21.3828 1289.6 8.5 scans 33% 57 m/z (77 150) 5.5% 0.0195% 2964 0.8 70 7252 629224 582462 4-2 9: 57 56 70 71 85 124 180 88 96 0.802 35.35 -7.8 69 77 80 79 196 0.0 0.000 -13.964 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9820 1337.6 8.8 scans 38% 109 m/z (71) 0.26% 0.218% 3235 1.0 235 151707 7031070 6255748 5-4 5: 109 69 86 110 128 0.971 22.91 224.0 68 91 87 93 127 27.0 1.323 0.069 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 23.0150 1338.6 12.2 scans 23% 71 m/z (109) 0.51% 0.145% 3240 0.6 171 78270 4678799 4251010 3-2 10: 71 113 99 84 126 169 72 212 114 140 0.948 24.54 201.3 72 97 91 97 169 13.8 0.000 -1.527 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.1296 1342.0 >12 scans 82% 60 m/z 0.22% 0.383% 3260 0.3 300 182327 12358031 11303870 0-8 20: 60 73 57 115 41 55 129 43 98 69 61 45 39 87 83 70 56 101 74 42 0.976 25.35 192.8 77 96 94 99 162 0.0 0.000 -2.224 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8929 1365.0 8.9 scans 42% 57 m/z (121) 1.3% 0.0384% 3389 1.1 94 30748 1240484 1145724 1-3 9: 57 71 85 41 69 184 56 70 112 0.813 23.86 1.0 80 88 78 86 184 12.8 0.000 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1314 1373.0 7.1 scans 59% 73 m/z 0.32% 0.107% 3429 1.0 191 125511 3452543 3303753 1-5 20: 73 341 429 342 147 325 343 430 431 74 207 327 344 45 191 251 75 432 326 193 0.946 24.17 -150.8 79 99 91 98 429 53.0 7.720 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7282 1392.9 7.6 scans 53% TIC 1.2% 0.0248% 3530 1.1 111 32325 0.0297% 801553 773115 957903 1-3 0.824 24.70 253.3 67 89 76 96 170 2.3 0.000 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1032 ?? Dodecane 25.2105 1409.0 11.3 scans 30% 71 m/z (55) 2.1% 0.0341% 3613 1.2 81 18946 1100238 990479 2-2 14: 71 57 85 70 56 41 155 86 127 113 112 98 72 169 0.682 20.36 8.8 62 71 65 72 170 2.8 0.000 4.852 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5570 1420.6 13.6 scans 65% 84 m/z (43) 0.31% 0.180% 3671 1.2 173 129988 5833422 5164986 6-3 17: 84 133 162 161 42 118 92 78 113 157 63 80 52 147 50 76 126 0.937 25.89 263.6 72 94 87 94 162 45.1 6.762 -0.335 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1044 ?? 3,5-Octanedione, 2,2,7-trimethyl- 25.7914 1428.4 8.7 scans 36% 57 m/z (154) 2.3% 0.0260% 3711 0.9 85 17033 840645 797549 1-1 15: 57 156 67 127 95 141 41 83 184 111 109 100 53 82 137 0.847 25.75 -148.5 62 88 77 86 184 16.6 3.854 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1040 ?? Nonanoic acid 26.0818 1438.1 17.0 scans 57% 60 m/z (145) 0.94% 0.0863% 3759 0.9 148 42678 0.143% 2786516 2579678 4612124 0-3 19: 60 73 129 41 55 87 71 57 61 115 101 110 69 45 74 172 143 130 84 0.936 22.70 -37.2 65 68 71 86 158 0.0 0.000 3.386 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1090 1472.5 6.6 scans 30% 221 m/z 2.9% 0.0106% 3934 0.9 64 13706 344286 322854 1-2 16: 221 73 147 281 222 267 282 191 148 355 149 205 223 283 268 357 0.791 27.12 297.6 73 95 73 93 355 11.6 3.302 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1934 1475.3 8.2 scans 75% 57 m/z (119) 0.47% 0.109% 3948 1.0 180 84336 0.188% 3517871 3408053 6063492 1-0 18: 57 71 85 43 41 99 55 56 70 84 98 113 42 112 69 100 126 154 0.977 27.21 -0.5 94 97 95 97 198 17.7 0.966 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1032 ?? Myosmine 28.0618 1507.9 11.2 scans 39% 118 m/z (175) 1.8% 0.0390% 4095 2.3 87 22115 1259593 1145587 2-1 13: 118 145 146 105 117 104 133 78 129 106 72 120 115 0.620 27.93 321.2 67 93 69 97 146 35.1 16.228 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6769 1531.0 8.3 scans 80% 43 m/z (163) 0.13% 0.438% 4199 0.9 343 307962 14146133 12382196 8-2 19: 43 69 41 151 107 136 125 67 93 109 53 83 121 68 39 81 79 91 77 0.984 28.67 333.6 77 99 99 99 194 19.7 0.330 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.1043 1547.1 7.5 scans 63% 71 m/z 0.14% 0.335% 4272 1.2 350 275399 0.459% 10835784 10229320 14803952 1-0 20: 71 57 43 85 41 70 55 141 56 113 112 99 84 69 97 183 42 39 136 140 0.805 29.10 343.2 68 93 88 91 227 7.4 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.1061 1547.1 7.7 scans 54% TIC 0.14% 0.299% 4272 1.2 326 278199 0.386% 9660724 9181191 12449511 1-0 0.663 29.09 343.4 70 98 63 92 220 49.7 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5264 1562.9 7.4 scans 54% 73 m/z 0.30% 0.138% 4343 1.0 215 133406 4456453 4175795 2-2 20: 73 281 147 327 282 415 341 283 503 328 221 148 329 399 74 416 325 207 342 504 0.932 29.61 -150.2 79 99 91 98 503 30.3 1.988 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7726 1572.2 7.9 scans 67% 123 m/z 0.051% 0.392% 4385 0.9 353 792402 12670235 11562814 1-3 15: 123 135 124 107 91 95 79 109 77 39 81 93 53 125 105 0.927 29.77 358.2 78 98 90 98 193 29.5 0.698 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1746 1587.3 7.7 scans 69% 57 m/z (153) 0.37% 0.178% 4453 1.2 231 107046 0.278% 5761016 5316042 8966228 1-0 20: 57 85 71 43 41 99 84 113 55 70 56 127 69 155 98 183 42 83 141 112 0.943 30.38 -7.6 81 83 94 86 212 3.3 0.000 -0.202 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5004 1600.1 7.8 scans 75% 191 m/z 0.042% 0.514% 4508 0.9 407 945082 16585283 15383388 2-7 20: 191 206 192 57 163 74 175 91 115 41 107 73 207 77 88 128 147 161 105 133 0.958 30.50 375.3 80 99 95 99 206 109.6 7.246 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N406_R~1-N1098 ? Olivetol 30.8281 1613.9 8.2 scans 38% 124 m/z (71) 1.2% 0.0427% 4564 1.0 111 33372 1378332 1302657 1-6 5: 124 137 180 138 54 0.965 30.81 384.5 73 95 88 98 180 28.1 6.456 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8842 1616.2 8.6 scans 50% 162 m/z (182) 1.0% 0.0769% 4574 1.0 147 36844 2480874 2362983 1-2 19: 162 161 147 119 134 204 105 91 133 71 117 77 51 131 118 163 148 115 165 0.919 30.88 0.2 86 88 76 93 204 26.2 3.189 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1044 ?? UNK 31.21min 31.2177 1630.2 11.0 scans 24% TIC 0.25% 0.291% 4630 0.7 254 159262 9408316 8162536 2-4 0.286 31.20 394.8 66 92 27 88 180 98.9 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2189 1630.3 9.8 scans 82% 111 m/z (85) 0.078% 0.909% 4630 0.6 465 516191 29334490 26512595 3-2 19: 111 109 137 67 180 110 124 95 152 79 77 39 81 41 112 93 165 91 65 0.971 31.18 395.3 75 94 96 99 180 99.4 4.572 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5194 1642.9 10.1 scans 49% TIC 0.43% 0.0822% 4681 1.1 162 92306 2651230 2366084 2-1 0.705 31.52 0.2 93 96 76 94 166 32.7 4.052 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6280 1647.5 7.5 scans 57% 71 m/z (401) 0.66% 0.0961% 4699 1.5 171 61261 3099849 2947857 0-1 20: 71 57 85 43 99 113 69 41 127 55 84 70 73 169 56 83 125 111 112 223 0.875 31.63 -0.2 69 83 78 80 429 10.4 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7933 1654.4 8.9 scans 13% 193 m/z (57) 2.5% 0.0129% 4727 1.1 57 15733 418569 371636 1-5 5: 193 197 208 178 198 0.672 31.80 -0.1 71 79 40 84 208 13.0 5.154 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9214 1659.8 7.9 scans 43% TIC 0.94% 0.0426% 4749 0.8 136 42999 1376844 1259565 3-1 0.710 31.92 0.1 77 85 61 82 219 3.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0737 1666.2 6.8 scans 16% 221 m/z 1.9% 0.0124% 4775 1.0 67 20535 400611 378683 4-2 13: 221 147 222 207 223 341 355 325 343 295 296 281 357 0.674 32.08 -0.2 92 94 59 93 355 13.0 3.777 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2354 1673.0 8.8 scans 68% 57 m/z (148) 0.48% 0.159% 4802 1.0 209 84265 5151647 4715661 1-1 20: 57 43 71 85 41 99 56 183 55 182 149 113 105 70 97 69 42 83 98 77 0.963 32.24 -0.1 85 85 92 96 226 8.6 0.168 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4414 1681.7 10.7 scans 53% 57 m/z (69) 0.71% 0.125% 4837 0.9 165 56636 4038824 3650875 1-2 18: 57 71 56 197 55 99 113 198 111 168 196 83 114 169 141 127 97 42 0.932 32.44 -0.0 82 86 87 87 226 5.7 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6811 1691.7 8.7 scans 70% 205 m/z (207) 1.4% 0.167% 4877 0.9 212 28820 5389762 5050744 1-1 18: 205 91 119 93 43 159 147 187 135 133 131 121 145 106 67 105 117 95 0.953 32.67 0.2 93 96 93 98 220 12.3 0.339 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8635 1699.4 7.8 scans 35% 70 m/z (149) 0.93% 0.0553% 4908 1.4 124 43112 1784345 1571120 10-3 2: 70 201 0.882 32.87 -0.1 77 85 85 85 186 2.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9332 1702.3 8.1 scans 46% 71 m/z (149) 0.31% 0.0824% 4920 0.6 144 128828 2658928 2236496 3-4 9: 71 43 159 72 155 173 143 243 73 0.934 32.93 0.0 95 97 93 99 243 21.8 2.289 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0843 1708.7 8.3 scans 31% 97 m/z 2.5% 0.0284% 4946 1.2 108 16149 918608 834655 7-1 19: 97 83 55 70 57 69 147 41 56 43 84 129 151 98 82 125 54 110 68 0.666 33.09 -0.0 80 92 72 88 224 6.5 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3069 1718.0 7.3 scans 69% 57 m/z (149) 0.35% 0.163% 4984 0.7 213 113652 5286080 4592537 2-10 18: 57 71 43 85 41 99 55 56 70 226 113 84 141 42 98 112 72 154 0.976 33.37 -2.8 95 98 96 98 226 23.9 1.259 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8269 1727.3 8.6 scans 31% 217 m/z (83) 0.78% 0.0488% 5071 1.3 111 51829 1574589 1393337 4-3 17: 217 232 189 233 115 77 157 128 129 87 145 202 161 131 201 185 103 0.498 33.83 452.6 67 88 62 97 232 38.7 12.219 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8901 1728.2 >9 scans 52% TIC 0.94% 0.0349% 5082 1.1 137 42601 0.0784% 1125921 1063899 2528605 0-1 0.850 33.90 -0.1 92 98 88 97 197 25.6 3.481 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2703 1733.6 7.6 scans 38% 57 m/z (173) 1.3% 0.0346% 5147 1.1 105 30334 1117150 1092504 1-0 17: 57 71 43 211 41 98 210 59 70 113 182 127 183 162 155 141 42 0.875 34.27 0.0 91 98 94 96 211 20.3 3.723 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3641 1735.0 8.2 scans 92% 73 m/z 0.028% 2.01% 5163 1.0 782 1434611 65094331 60253601 2-3 20: 73 147 221 281 356 357 282 222 74 327 267 415 148 207 223 403 358 385 133 416 0.991 34.39 452.0 80 100 99 100 415 83.4 1.136 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7768 1740.9 12.0 scans 85% 91 m/z 0.045% 1.21% 5233 0.4 503 890485 39261383 37978144 2-1 20: 91 155 199 90 65 184 92 89 44 106 63 137 77 39 64 200 51 156 185 109 0.979 34.79 451.9 80 99 97 99 199 141.4 7.902 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8990 1742.6 8.1 scans 36% 68 m/z (71) 1.2% 0.0676% 5254 1.0 141 33065 2183088 2058751 1-3 2: 68 154 0.903 34.90 -0.1 93 97 97 99 224 17.0 1.448 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6824 1753.8 8.6 scans 40% 123 m/z (71) 0.60% 0.0872% 5386 1.3 152 67198 2815603 2585707 1-3 10: 123 211 124 79 165 133 175 167 131 121 0.917 35.70 451.1 72 95 83 96 224 15.1 0.987 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9321 1757.4 >10 scans 60% TIC 0.66% 0.101% 5428 0.8 208 60866 0.202% 3287907 3287907 6515029 0-0 0.920 35.94 451.0 72 95 83 94 238 5.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1050 1759.9 8.8 scans 62% 71 m/z 0.22% 0.230% 5458 1.2 280 176605 7432293 7096749 1-1 20: 71 85 57 43 99 113 69 127 55 155 41 84 70 141 56 83 111 112 72 154 0.881 29.94 543.5 72 93 88 97 254 0.0 0.000 6.164 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5183 1765.8 7.5 scans 11% 221 m/z 1.5% 0.0250% 5528 1.2 91 26840 808783 747054 3-3 16: 221 73 207 147 222 295 223 281 296 208 369 191 327 148 282 341 0.578 36.58 449.3 73 96 67 94 369 15.2 2.785 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1016 Octadecane 37.2993 1777.0 9.1 scans 62% 71 m/z (197) 0.57% 0.167% 5660 1.2 199 70655 0.236% 5391660 4720282 7611618 1-4 20: 71 85 57 43 99 113 55 69 84 127 41 169 83 70 155 56 112 141 97 72 0.956 38.91 -23.0 81 86 94 86 254 3.1 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0549 1787.8 8.3 scans 68% 57 m/z (173) 0.47% 0.135% 5788 1.0 197 85288 4364412 4094449 2-1 20: 57 71 85 43 56 41 99 55 113 224 69 127 70 225 141 197 155 98 83 58 0.962 38.06 448.1 76 99 98 99 225 34.5 3.059 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5638 1795.0 9.0 scans 89% 73 m/z 0.043% 1.24% 5874 1.3 584 921304 40049473 36546445 2-3 20: 73 147 221 355 430 341 207 431 222 74 148 357 401 282 342 267 295 223 75 149 0.984 38.59 446.9 80 99 98 99 429 149.5 6.562 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.9298 1926.4 >21 scans 96% 95 m/z 0.014% 21.5% 6106 0.1 1706 2777611 694233208 660197419 0-7 20: 95 68 82 81 55 69 43 67 57 83 41 97 71 111 79 56 53 70 94 85 1.000 39.94 557.3 81 100 100 100 278 110.5 0.419 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9676 1931.1 >5 scans 69% TIC 0.27% 0.150% 6112 2.3 291 148071 4859208 4385045 0-8 0.952 39.88 562.8 74 95 91 94 250 29.4 1.021 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3371 1976.9 7.7 scans 46% 149 m/z (81) 0.25% 0.0684% 6175 0.9 145 156249 2208018 2057590 2-3 8: 149 150 223 104 167 132 50 206 0.946 40.31 602.0 76 99 96 99 223 28.5 3.838 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N406_R~1-N1110 Phytol 40.3926 1983.8 7.6 scans 41% 81 m/z (163) 1.8% 0.0513% 6184 1.0 129 21475 0.0943% 1655606 1550771 3041422 2-0 20: 81 82 95 68 123 79 109 96 124 67 43 278 69 94 83 71 55 97 137 110 0.952 40.66 -33.4 85 92 88 92 278 15.0 1.357 -0.269 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5969 2009.1 7.2 scans 40% 221 m/z 1.2% 0.0339% 6219 0.9 109 33482 1095522 1035369 2-4 19: 221 73 147 295 222 207 281 369 297 355 370 74 401 208 341 279 148 415 209 0.860 40.63 629.0 74 98 84 97 369 16.6 2.345 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1254 Phytol 40.8519 2040.8 7.8 scans 72% 82 m/z (59) 1.1% 0.119% 6261 1.2 190 34701 3862401 3626243 1-4 15: 82 81 95 68 123 43 69 79 55 83 96 67 109 124 53 0.970 40.87 -1.9 95 99 98 98 278 22.0 1.349 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BQLD_R~1-N1056 ?? Homosalate 41.0125 2060.7 8.7 scans 14% 138 m/z (92) 5.2% 0.00961% 6288 1.1 53 7652 310232 303766 1-0 8: 138 121 120 109 193 124 104 65 0.753 41.00 674.9 66 95 72 94 262 7.3 1.901 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.1069 2072.4 8.5 scans 65% 109 m/z (87) 1.3% 0.128% 6305 1.0 190 29205 4139462 3857043 1-2 18: 109 262 81 95 191 123 136 107 121 177 79 137 135 122 93 67 91 124 0.940 41.13 684.6 76 99 94 99 262 34.4 3.279 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2492 2090.0 8.7 scans 51% 79 m/z (155) 2.0% 0.0655% 6329 1.0 133 19675 2115123 1932753 2-3 17: 79 67 95 93 91 80 108 121 94 81 66 107 53 54 135 87 59 0.926 41.26 -1.0 89 94 90 94 264 8.6 0.421 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5260 2121.4 12.9 scans 91% 205 m/z 0.055% 3.61% 6376 0.2 851 728518 116661427 109201709 1-1 20: 205 217 175 57 189 220 177 232 55 91 41 191 261 192 77 161 206 109 105 219 0.990 41.49 -75.2 87 100 98 100 276 55.7 0.428 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6435 2128.0 9.0 scans 57% 69 m/z (43) 0.45% 0.142% 6396 0.9 190 89176 4598140 4239035 2-2 19: 69 93 81 41 133 67 120 107 79 95 68 91 121 119 53 77 134 132 109 0.970 41.75 730.5 75 99 96 98 272 7.5 0.000 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1028 Diterpene 42.0min 41.9983 2147.9 8.0 scans 84% 74 m/z 0.077% 0.630% 6456 0.9 444 525528 20346343 19041586 2-3 20: 74 87 43 143 55 75 41 270 57 69 83 59 239 129 88 97 185 101 171 241 0.946 42.01 745.9 80 99 95 99 272 10.3 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1760 2157.9 8.1 scans 14% 109 m/z 7.7% 0.00631% 6486 1.0 53 5255 203786 186740 0-1 19: 109 93 253 137 81 95 69 41 79 107 123 91 120 141 96 121 136 134 161 0.372 42.05 7.3 71 82 28 76 272 4.9 0.000 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3354 2166.8 7.8 scans 69% 73 m/z 0.34% 0.121% 6513 1.0 196 116386 3928387 3607612 2-4 20: 73 147 281 221 355 207 429 341 503 148 74 222 283 356 430 415 223 295 282 327 0.919 42.37 757.8 76 98 93 99 503 27.6 1.979 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3690 2168.7 8.6 scans 16% 105 m/z (73) 10% 0.0134% 6519 1.0 62 3686 432469 431650 1-0 11: 105 161 257 93 91 107 79 77 119 201 108 0.712 42.40 -1.7 76 89 58 84 272 4.5 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9895 2203.6 8.0 scans 49% 82 m/z (171) 0.39% 0.0749% 6624 0.9 149 103179 2418484 2267629 2-2 11: 82 95 81 109 292 137 94 107 96 108 252 0.711 43.03 781.5 64 95 78 93 292 17.6 1.392 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3088 2221.5 12.3 scans 39% 263 m/z 0.66% 0.0623% 6678 1.4 108 60520 2012513 1744369 2-4 16: 263 278 57 219 203 131 185 187 128 153 204 87 280 152 91 217 0.626 43.31 0.1 76 78 32 76 278 34.6 10.225 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.7 8.2 scans 48% 71 m/z (205) 2.4% 0.0333% 6769 1.3 95 16514 1076768 936150 1-4 19: 71 57 85 43 127 267 99 41 126 113 239 55 84 141 70 56 69 86 97 0.901 43.94 -5.0 60 62 81 82 282 3.3 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1238 ? Trachylobane 44.1465 2268.8 8.6 scans 18% 81 m/z (70) 18% 0.00706% 6819 0.8 44 2212 227867 227867 0-0 18: 81 123 120 91 135 67 110 80 107 119 94 55 82 147 121 134 177 39 0.523 44.15 -0.5 78 95 53 90 272 6.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN N419_R~1-N1158 ?? Manool oxide 44.2652 2275.6 8.4 scans 23% 258 m/z (221) 6.0% 0.0207% 6840 1.4 77 6736 670107 624862 2-0 8: 258 137 177 191 122 161 257 341 0.660 43.83 838.0 66 96 65 94 275 20.7 7.285 0.438 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1234 Thunbergol 45.1601 2327.1 8.7 scans 80% 137 m/z 0.57% 0.334% 6991 1.0 305 70586 10794179 9987051 2-6 20: 137 95 81 69 93 55 71 109 43 79 107 257 41 123 121 67 91 80 136 94 0.911 44.90 14.9 84 84 82 84 272 20.6 0.456 0.259 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7770 2362.6 7.8 scans 63% 73 m/z 0.67% 0.0661% 7096 1.1 143 59677 2131992 1963247 2-3 20: 73 147 355 221 281 356 207 148 282 295 429 74 430 341 223 149 357 415 251 358 0.869 45.78 0.0 95 96 83 95 503 11.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0922 2380.8 8.3 scans 64% 79 m/z 0.86% 0.0941% 7149 1.1 171 46771 3037211 2749752 2-5 20: 79 67 93 95 108 80 81 91 41 55 107 94 77 121 68 65 59 78 236 149 0.850 46.13 -2.4 93 97 84 94 292 12.6 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4146 2399.3 8.6 scans 30% 177 m/z (71) 3.5% 0.0166% 7204 1.1 66 11507 535509 465528 1-7 8: 177 93 195 178 91 121 137 290 0.778 46.49 -4.7 87 91 63 89 290 11.0 2.794 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7516 2418.7 8.0 scans 44% 74 m/z (136) 2.0% 0.0225% 7261 1.2 80 19562 726419 657447 3-3 8: 74 87 298 255 199 299 59 88 0.870 46.76 923.6 73 97 83 95 298 14.8 3.412 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1224 ? Sclareol 47.35min 47.2629 2448.2 >11 scans 16% TIC 14% 0.00157% 7348 0.0 33 2883 0.00317% 50808 50808 102241 0-0 0.369 47.36 -5.3 77 88 37 84 272 4.7 2.077 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN TAB_REP1-N1222 ?? Sclareol 47.9min 47.9187 2485.9 8.4 scans 14% 134 m/z (82) 20% 0.00236% 7459 0.5 27 1930 0.00296% 76158 76158 95468 0-0 2: 134 72 0.470 47.95 -1.7 69 82 34 76 272 3.3 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9187 2543.5 7.6 scans 73% 73 m/z 0.80% 0.0550% 7628 1.0 131 50062 1776008 1675893 2-4 20: 73 147 221 355 429 281 207 208 222 357 295 148 282 325 431 401 341 415 267 328 0.853 48.95 993.1 74 97 89 99 429 31.7 5.800 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 50.8078 2652.1 8.6 scans 28% TIC 10% 0.00232% 7948 1.2 31 3795 74984 73605 1-0 0.626 44.32 1204.8 67 94 58 89 369 7.7 0.000 6.488 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8367 2711.3 8.3 scans 71% 73 m/z 1.1% 0.0426% 8122 1.1 111 36543 1376959 1286114 2-4 20: 73 147 221 207 430 355 356 223 74 295 429 208 327 282 401 503 342 296 87 283 0.828 51.86 1080.4 77 98 83 97 503 13.1 1.396 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N521_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6019 2870.5 9.4 scans 66% 73 m/z (369) 1.8% 0.0319% 8591 1.5 87 22376 1029512 950405 2-5 19: 73 147 221 355 356 429 148 430 265 295 282 341 74 431 357 296 503 267 283 0.796 45.81 1394.0 70 97 84 96 503 8.7 0.999 8.790 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0931 770.8 6.3 scans 79% 77 m/z 0.078% 0.116% 35 3.6 242 619487 7532843 6797963 1-3 15: 77 45 78 79 62 76 59 63 75 61 47 46 92 58 64 0.994 4.37 16.8 100 100 99 100 77 208.0 73.690 -0.278 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 6.1469 824.3 7.2 scans 46% 57 m/z (69 100) 0.88% 0.0229% 383 0.5 95 54843 1479961 1197406 3-7 20: 57 41 56 44 39 43 59 45 55 87 42 58 102 40 38 54 71 53 50 85 0.655 6.03 -137.3 61 95 84 94 102 8.1 0.000 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5253 834.1 16.1 scans 77% 207 m/z 0.48% 0.0445% 447 2.3 110 99463 2868395 2600476 1-3 15: 207 208 209 191 193 194 177 103 147 176 163 96 165 149 45 0.894 6.53 -142.7 80 100 89 99 207 83.3 57.108 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6310 862.9 8.7 scans 86% 69 m/z 1.0% 0.0560% 635 1.8 164 45422 0.0716% 3614197 3343139 4614606 2-0 20: 69 55 41 83 42 39 57 98 70 97 43 56 53 80 54 79 40 51 81 68 0.976 7.71 7.6 100 99 97 99 98 36.3 4.908 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2161 982.3 8.2 scans 64% 43 m/z (95) 0.44% 0.0696% 1411 1.4 178 110552 4485860 4057808 2-6 7: 43 99 71 67 42 134 126 0.797 12.22 36.0 86 91 37 100 281 78.1 19.210 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6588 993.8 9.9 scans 89% 81 m/z (84) 0.23% 0.115% 1486 2.1 202 202960 7449675 6979078 1-3 20: 81 110 53 39 41 79 67 68 65 51 82 95 77 66 50 55 40 54 109 38 0.980 13.22 30.2 93 96 96 100 110 58.8 8.511 -0.563 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1022 ? Octanal 12.9132 1000.5 7.9 scans 59% 56 m/z (59) 3.6% 0.0177% 1529 1.7 93 13267 1141970 1056224 1-3 16: 56 57 41 43 55 44 84 42 69 82 85 68 39 100 95 70 0.904 12.96 -174.3 71 97 88 96 110 7.2 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1016 Limonene 13.8891 1026.9 8.6 scans 25% TIC 4.1% 0.00436% 1694 1.2 56 11737 281316 266846 1-2 0.509 13.89 51.6 86 97 58 94 136 13.6 5.958 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.0715 1031.8 10.5 scans 91% 79 m/z 0.17% 0.245% 1725 1.8 302 281402 15819168 14482260 2-3 20: 79 108 107 77 51 91 78 80 50 90 89 65 63 109 39 52 74 53 62 76 0.990 14.11 52.8 93 100 99 100 108 133.5 19.482 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4328 1041.6 9.8 scans 77% 91 m/z 0.22% 0.0805% 1787 1.7 177 221004 5192245 4748955 2-4 19: 91 92 65 63 51 39 58 121 134 62 90 50 64 93 52 38 61 118 87 0.903 14.44 56.8 90 100 97 100 120 56.1 10.070 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1671 1061.5 11.1 scans 86% 105 m/z 0.098% 0.310% 1911 2.0 314 496175 19986182 18225169 2-1 20: 105 77 123 51 46 106 50 78 74 124 76 75 109 52 66 79 39 38 53 73 0.951 15.17 64.1 89 99 98 99 123 110.8 12.414 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN 98-86-2 ? Acetophenone 15.2415 1063.5 >10 scans 66% TIC 0.30% 0.0566% 1923 4.6 171 160792 0.227% 3648627 3477198 14630106 0-2 0.962 15.29 -182.2 77 96 93 98 120 42.4 6.176 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4251 1068.5 9.2 scans 71% 95 m/z 0.31% 0.0856% 1954 1.4 199 152191 5521878 4918455 3-2 19: 95 81 124 43 79 53 109 39 41 65 82 96 67 55 125 62 80 63 66 0.918 15.43 66.8 87 99 93 100 124 58.7 8.659 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1028 ?? p-Cymenene 16.2073 1089.7 8.7 scans 18% 132 m/z (123) 17% 0.00131% 2087 1.3 26 2844 84963 81307 0-2 5: 132 99 117 115 91 0.578 16.25 -184.9 63 95 62 96 132 14.1 30.421 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1002 Undecane 16.6010 1100.6 9.2 scans 67% TIC 1.8% 0.0139% 2154 1.0 93 25949 896042 817781 1-1 0.847 16.59 0.6 92 97 90 96 156 11.7 1.584 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1016 Nonanal 16.7734 1107.9 8.1 scans 90% 57 m/z (267) 0.27% 0.219% 2183 1.3 323 178385 14177214 12625033 7-5 20: 57 41 56 55 43 70 44 98 69 82 68 95 81 96 67 39 42 71 54 45 0.991 16.82 85.5 82 99 99 100 124 20.5 0.402 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9552 1115.6 >11 scans 67% TIC 0.77% 0.0378% 2214 1.1 142 62426 2438206 2303127 1-0 0.864 16.97 90.9 78 96 91 98 128 32.2 5.129 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.0432 1119.3 9.6 scans 79% 91 m/z 0.17% 0.112% 2229 1.4 217 276728 7282654 6463266 7-3 19: 91 92 122 65 77 89 63 93 78 103 51 39 123 50 64 90 74 52 75 0.969 17.05 93.3 82 99 95 100 122 72.8 11.222 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1006 Contamination 18.13min 18.0686 1162.6 >9 scans 69% TIC 0.36% 0.0612% 2402 0.8 179 133319 0.121% 3947470 3590589 7798426 5-0 0.963 18.13 -169.1 80 99 94 99 355 71.0 15.714 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1018 ? Pyranone 18.1294 1165.2 9.0 scans 61% 144 m/z 0.50% 0.0628% 2412 0.9 173 96316 4049062 3575814 8-2 13: 144 43 101 44 72 55 45 145 58 102 54 146 100 0.935 18.22 121.7 73 93 85 93 144 79.3 21.116 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN M4942-N1002 ? Pyranone 18.1294 1165.2 9.0 scans 64% 144 m/z (107) 0.50% 0.0736% 2412 0.9 178 96162 4745981 4191278 8-2 13: 144 43 101 44 72 55 45 145 58 102 54 146 100 0.973 20.04 -225.3 72 94 87 94 144 79.3 19.917 -1.913 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1266 ?? Octanoic acid 18.3089 1172.7 11.0 scans 49% 60 m/z (134) 2.9% 0.0230% 2443 0.5 89 16560 1486601 1313775 2-5 12: 60 69 85 73 101 83 87 115 88 82 45 98 0.842 22.03 -136.4 68 95 82 98 175 0.0 0.000 -3.725 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1004 ? Octanoic acid 18.3089 1172.7 11.0 scans 49% 60 m/z (59) 2.8% 0.0232% 2443 0.5 89 16973 1495717 1321832 2-5 12: 60 69 85 73 101 83 87 115 88 82 45 98 0.848 19.87 104.4 70 94 77 96 144 3.0 0.000 -1.562 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6985 1189.2 7.8 scans 51% 82 m/z (77) 5.2% 0.0106% 2509 1.2 76 9321 688856 647766 1-1 16: 82 98 55 69 111 70 41 67 79 107 97 125 68 126 83 80 0.876 18.71 138.4 73 99 91 98 153 3.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8248 1194.5 8.5 scans 75% TIC 1.2% 0.0488% 2530 1.1 165 39732 3148419 3000541 1-2 0.887 18.83 141.8 73 93 91 100 122 11.7 0.505 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1164 1206.9 6.8 scans 34% TIC 2.3% 0.00248% 2580 0.9 64 21133 160114 154397 0-1 0.836 19.12 149.8 75 100 87 99 97 10.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2439 1212.2 10.4 scans 7.7% 119 m/z (56) 10% 0.00188% 2601 1.4 29 4676 121753 117679 3-0 2: 119 134 0.690 13.76 12.7 73 80 64 79 134 11.6 15.951 5.487 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7977 1235.6 8.1 scans 87% 57 m/z 0.19% 0.147% 2695 1.3 277 255605 9499995 8845812 2-4 20: 57 45 41 75 87 56 89 72 101 100 59 43 85 60 71 73 44 55 58 62 0.973 19.81 168.1 78 97 93 100 144 6.7 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3083 1257.2 9.1 scans 43% 57 m/z (95) 3.1% 0.00996% 2782 1.3 65 15315 642447 593783 2-2 10: 57 71 43 41 84 85 56 70 112 170 0.832 20.32 -0.5 89 98 85 95 170 8.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1034 ? Decanal 20.5226 1263.8 8.2 scans 82% TIC 0.50% 0.137% 2818 0.6 256 96356 8860347 8236598 2-1 0.940 20.57 -143.2 78 99 95 99 138 14.1 0.304 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1006 ? Arosol 20.9429 1276.4 >9 scans 67% TIC 0.38% 0.0201% 2889 0.0 148 124990 0.108% 1299460 1299460 6960579 0-0 0.965 20.98 191.4 78 98 95 98 152 3.9 0.000 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9695 1277.2 >9 scans 76% 77 m/z (94) 1.1% 0.0686% 2894 999.0 171 43794 0.136% 4422774 4107294 8765173 0-1 9: 77 135 112 40 84 129 150 136 133 0.979 21.00 191.9 62 85 79 85 155 1.9 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1360 1282.2 8.3 scans 4.7% 281 m/z 2.4% 0.00556% 2922 1.9 49 20204 358605 324844 2-3 11: 281 283 191 193 282 265 207 251 267 142 249 0.725 12.25 129.1 73 95 63 94 281 37.6 58.554 8.885 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN M4942-N1008 ?? Phenylethyl Alcohol 21.2227 1284.8 9.5 scans 2.0% 91 m/z (135) 11% 0.00159% 2936 0.6 26 4273 102972 102972 0-0 2: 91 122 0.219 17.89 -39.4 65 79 52 78 122 8.3 10.255 3.334 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2765 1286.4 8.2 scans 18% 56 m/z (45) 5.8% 0.00795% 2946 0.9 60 8348 512701 461229 1-2 7: 56 57 55 70 71 96 85 0.856 16.82 -5.0 70 78 65 76 124 3.1 0.000 4.461 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4423 1291.4 6.8 scans 7.5% 281 m/z 6.7% 0.00258% 2973 1.2 40 7222 166853 154570 2-3 12: 281 147 73 283 282 207 369 265 148 371 370 249 0.761 21.56 -147.3 72 96 68 94 369 11.0 7.524 -0.116 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8892 1334.8 8.0 scans 24% 109 m/z (83) 0.74% 0.0381% 3219 1.1 134 65564 2460277 2141749 4-5 5: 109 86 110 128 170 0.910 22.91 221.2 65 89 79 88 127 12.6 0.887 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1016 ? Nicotine 23.0699 1340.2 >16 scans 78% TIC 0.27% 0.208% 3250 0.2 289 175177 13424228 12327120 1-2 0.948 25.35 191.0 76 95 94 99 162 0.0 0.000 -2.284 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 23.0699 1340.2 >18 scans 75% 73 m/z 0.27% 0.283% 3250 0.2 285 177555 18248502 14702329 4-6 20: 73 60 57 115 41 55 129 43 69 98 56 83 87 70 61 74 39 45 42 101 0.932 22.70 -135.1 76 95 92 99 158 18.7 0.430 0.374 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.8349 1363.2 9.2 scans 31% 57 m/z (72) 2.0% 0.0171% 3379 1.0 81 23835 1102916 1017007 2-2 8: 57 71 85 84 42 56 157 184 0.788 23.86 -0.8 75 89 69 86 184 8.6 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0823 1371.4 7.3 scans 76% 73 m/z 0.12% 0.186% 3421 1.1 330 382683 11997737 11202289 2-4 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 191 75 45 148 311 0.901 24.17 -152.4 79 99 88 99 429 95.2 8.334 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5439 1386.8 7.0 scans 49% TIC 1.2% 0.0110% 3499 1.0 112 40062 713827 636184 1-1 0.880 24.54 249.5 75 97 86 95 169 12.6 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.6726 1391.1 >9 scans 59% TIC 1.4% 0.0167% 3521 1.2 115 33005 1081026 1034083 0-1 0.887 24.70 251.5 62 81 76 94 170 3.4 0.000 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.1909 1408.4 7.6 scans 50% 43 m/z 0.46% 0.0227% 3609 1.0 114 105131 1467729 1324189 6-5 14: 43 103 145 116 115 86 74 73 104 146 61 122 155 117 0.919 25.24 -151.5 78 100 95 100 145 40.7 12.824 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1004 ? Nicotine 25.4046 1415.5 12.6 scans 93% TIC 0.0095% 3.31% 3645 0.8 1050 5091965 213798963 195548296 2-4 0.982 25.89 258.5 77 96 93 97 162 276.6 6.934 -0.487 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN GLAU_R~1-N1080 ?? Solanone 25.7824 1428.1 7.5 scans 17% 93 m/z (85) 4.4% 0.00782% 3709 0.8 65 10954 504608 456927 1-1 8: 93 154 71 136 70 99 194 151 0.795 25.78 272.8 63 93 71 90 194 8.7 1.786 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0894 1471.8 6.6 scans 62% 221 m/z 0.90% 0.0263% 3931 1.0 131 53484 1695146 1609521 1-2 20: 221 73 147 281 222 355 267 223 148 282 443 268 283 356 74 357 149 444 191 207 0.926 27.12 296.9 78 98 89 97 355 24.4 3.475 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 7.6 scans 75% 57 m/z 0.34% 0.0741% 3944 1.1 208 140907 0.0958% 4778416 4507240 6174291 2-0 19: 57 71 43 85 41 55 56 99 70 198 42 84 98 112 69 113 127 72 126 0.956 27.21 -1.4 97 97 93 97 198 24.8 1.426 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1032 ?? Myosmine 28.0493 1507.4 10.5 scans 34% 118 m/z (147) 1.7% 0.0260% 4093 1.6 97 27817 1681431 1511399 3-2 10: 118 146 145 117 78 104 175 64 151 106 0.748 27.93 320.7 65 89 73 94 146 37.8 15.225 0.118 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3793 1519.8 8.9 scans 16% 80 m/z (96) 3.4% 0.00486% 4148 1.2 48 13961 313265 299458 2-1 5: 80 171 104 170 165 0.598 28.39 326.4 65 97 76 95 171 22.6 22.382 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6585 1530.3 7.9 scans 84% 43 m/z 0.070% 0.387% 4196 0.8 462 689348 24949948 23130609 2-10 20: 43 69 41 151 136 107 67 125 93 109 83 53 81 39 121 68 108 79 55 91 0.961 28.67 332.9 79 99 96 98 194 27.6 0.357 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0877 1546.4 7.6 scans 54% 71 m/z 0.21% 0.141% 4269 1.1 302 225638 0.180% 9138193 8819341 11600965 1-0 20: 71 57 43 85 177 41 220 55 70 141 56 113 149 99 112 67 84 163 205 97 0.688 29.09 342.7 73 99 73 94 220 53.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5369 1563.3 12.7 scans 81% 281 m/z 0.010% 3.69% 4345 0.2 1364 4657242 5.14% 238161092 228012094 331271995 2-0 20: 281 282 341 329 325 383 249 133 386 323 267 252 208 285 150 253 269 413 225 254 0.850 29.61 -149.8 79 98 75 98 503 227.1 2.780 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6550 1567.8 8.1 scans 84% 177 m/z (97) 0.060% 0.598% 4365 0.8 554 798151 38587174 36884699 2-1 20: 177 43 178 91 135 159 105 79 93 107 121 119 133 149 117 122 41 192 89 109 0.979 29.68 355.3 78 99 98 99 192 51.7 0.873 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7512 1571.4 8.1 scans 68% 123 m/z 0.074% 0.168% 4381 1.1 304 650834 10877561 9931056 1-6 14: 123 135 124 107 95 91 109 79 77 81 93 53 125 165 0.947 29.77 357.4 79 99 94 99 193 25.1 0.683 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9384 1578.4 9.0 scans 75% 71 m/z (167) 0.16% 0.274% 4413 0.9 334 288882 17702732 16921684 1-2 18: 71 85 57 43 99 113 127 84 69 70 155 56 112 42 58 197 100 114 0.964 29.94 362.0 75 98 96 100 254 8.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.1662 1587.0 7.9 scans 60% 57 m/z (163) 0.59% 0.0664% 4452 1.2 188 82330 0.103% 4284941 4134945 6638330 1-0 20: 57 85 71 43 41 84 99 55 70 56 98 113 127 69 155 183 168 86 169 197 0.923 30.38 -7.9 81 84 94 84 212 0.0 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4939 1599.8 8.0 scans 89% 191 m/z 0.021% 0.685% 4507 1.0 614 2312072 44176865 42244482 2-2 20: 191 206 192 57 163 74 175 41 91 115 107 73 147 128 161 105 133 121 65 119 0.987 30.50 375.0 81 100 99 100 206 161.9 6.949 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8245 1613.7 9.2 scans 49% 124 m/z (71) 0.34% 0.100% 4563 0.9 215 140079 6486360 6143138 2-3 14: 124 137 55 180 125 138 54 82 109 96 123 110 181 152 0.958 30.81 384.3 77 98 96 100 180 54.0 6.303 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8634 1615.3 9.3 scans 66% 162 m/z (124) 0.18% 0.177% 4570 1.1 280 263065 11409196 10894187 1-2 19: 162 147 161 91 77 163 148 51 115 145 131 133 103 63 65 89 78 144 50 0.938 30.88 -0.7 81 83 68 84 204 5.2 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2058 1629.7 9.7 scans 69% 111 m/z 0.078% 0.423% 4628 0.7 441 623382 27275256 25561617 2-2 20: 111 109 137 67 180 43 110 124 152 95 79 39 77 81 69 53 91 93 165 65 0.866 31.18 394.7 77 98 84 98 180 99.8 5.123 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5163 1642.8 9.2 scans 72% 43 m/z (119) 0.28% 0.112% 4680 0.9 225 169529 7239109 6893919 1-1 20: 43 98 111 166 55 82 71 41 127 68 83 123 67 69 39 107 59 99 58 81 0.974 31.52 0.1 96 98 97 99 166 43.2 3.695 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1198 Hydrocarbon 31.9min RI1660 31.9219 1659.8 7.9 scans 52% 83 m/z (81) 1.2% 0.0466% 4749 0.9 151 40178 3007105 2632283 2-1 17: 83 57 82 55 70 69 56 97 155 112 126 210 42 200 98 54 100 0.911 31.92 0.1 82 89 93 93 219 6.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0488 1665.2 6.7 scans 31% 221 m/z 0.56% 0.0414% 4770 0.9 163 85936 2668317 2543864 2-1 19: 221 73 147 295 222 207 355 341 223 281 325 296 209 148 208 297 267 342 205 0.843 32.08 -1.2 94 96 89 96 355 26.7 2.692 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2336 1672.9 8.5 scans 70% 57 m/z (157) 0.39% 0.127% 4802 1.3 233 121660 8243338 7179391 2-2 20: 57 149 105 43 77 71 85 100 41 123 56 81 99 183 137 55 113 70 150 92 0.971 32.24 -0.2 68 70 76 79 226 6.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4390 1681.6 9.6 scans 53% 57 m/z (98) 0.74% 0.0593% 4836 0.9 158 65166 3823950 3444958 0-2 20: 57 85 71 56 43 197 41 196 55 99 113 70 127 168 177 169 111 107 83 84 0.932 32.44 -0.1 85 91 90 90 226 6.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6728 1691.4 8.7 scans 79% 205 m/z 0.41% 0.334% 4876 0.9 409 118681 21572196 19198723 9-2 20: 205 91 119 43 105 93 159 79 107 147 162 41 77 131 187 69 106 121 67 145 0.943 32.67 -0.1 94 94 89 96 220 25.1 0.375 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 8.1 scans 66% 71 m/z 0.074% 0.166% 4920 0.9 299 650726 10713168 10039272 6-1 15: 71 43 111 159 56 243 72 155 173 143 98 89 73 44 215 0.947 32.93 0.0 94 94 89 98 243 44.3 2.197 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3062 1718.0 7.4 scans 67% 57 m/z (208) 0.32% 0.102% 4984 0.7 227 149938 6611281 6011016 2-2 18: 57 71 43 85 41 55 99 56 70 226 42 113 84 281 98 72 112 141 0.958 33.37 -2.8 82 85 94 97 226 24.5 1.167 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8936 1728.2 7.1 scans 34% 71 m/z (189) 1.5% 0.0212% 5083 1.0 113 30726 1369257 1260545 1-1 18: 71 43 57 85 70 197 127 41 113 99 196 55 56 153 72 141 86 58 0.910 33.90 -0.1 91 97 95 98 197 20.4 3.252 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2661 1733.6 7.0 scans 19% 57 m/z (173) 2.0% 0.0126% 5147 1.1 88 24224 813128 793271 1-0 18: 57 71 85 98 43 211 169 41 182 210 152 225 70 91 56 189 127 95 0.819 34.27 -0.0 78 83 76 92 211 16.5 3.514 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3883 1735.3 22.3 scans 80% TIC 0.0096% 7.85% 5167 1.3 1393 5020058 8.93% 506351670 485804976 575536753 2-0 0.887 34.39 452.3 80 99 81 99 415 180.9 1.690 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8966 1742.6 20.3 scans 86% 91 m/z 0.017% 2.61% 5253 0.2 840 2818894 168810278 164381740 0-1 20: 91 155 199 90 65 184 92 44 120 89 137 63 77 106 39 200 64 134 185 107 0.986 34.79 453.6 80 99 97 99 199 235.5 7.851 0.111 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3576 1749.2 8.3 scans 74% 57 m/z (58) 0.27% 0.271% 5331 0.8 362 179200 17499880 15676065 6-1 20: 57 71 43 69 56 55 81 85 95 41 70 126 111 83 82 67 96 109 137 97 0.990 35.35 451.8 75 96 97 99 196 36.3 1.006 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1212 ? Hexadecene 35.5064 1751.3 9.1 scans 44% 83 m/z (71) 0.97% 0.0995% 5356 1.2 197 49677 6413819 5510603 2-3 16: 83 55 69 82 97 56 68 41 70 84 111 96 67 98 42 125 0.926 33.09 42.6 70 78 83 87 224 2.4 0.000 2.421 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.5064 1751.3 9.1 scans 42% 83 m/z (122) 0.99% 0.0945% 5356 1.2 192 49068 6090927 5233182 2-3 16: 83 55 69 82 97 56 68 41 70 84 111 96 67 98 42 125 0.887 34.90 8.6 72 76 80 82 224 2.4 0.000 0.605 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.7000 1754.1 8.9 scans 39% 123 m/z (57) 0.52% 0.0638% 5389 1.2 170 92846 4113573 3715561 2-3 13: 123 193 195 209 175 124 105 194 167 210 181 224 165 0.932 35.70 451.4 73 96 89 97 224 14.9 0.769 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9473 1757.6 9.2 scans 45% 91 m/z (85) 0.17% 0.166% 5431 0.9 274 270353 10733810 10089847 2-2 19: 91 155 184 65 44 92 199 89 63 156 90 120 157 148 185 64 51 200 66 0.717 35.94 451.2 61 90 55 86 238 7.5 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5028 1765.6 6.8 scans 4.2% 221 m/z 1.1% 0.0176% 5525 1.0 107 42180 1138570 1061942 1-3 11: 221 147 295 281 296 148 369 297 267 282 325 0.686 36.58 449.1 67 94 66 92 369 19.5 3.349 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2053 1775.6 8.0 scans 10% 209 m/z 1.4% 0.0100% 5644 0.9 77 32543 644661 605268 5-2 12: 209 224 181 105 210 167 178 179 165 103 51 76 0.677 37.20 449.3 71 94 60 93 224 29.7 14.934 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1016 Octadecane 37.3086 1777.1 9.2 scans 56% 85 m/z (150) 0.62% 0.0866% 5661 1.2 196 78130 5582640 5251025 0-3 19: 85 57 43 99 113 127 84 69 55 41 155 141 111 56 86 126 225 211 42 0.971 38.91 -22.9 80 84 95 83 254 2.2 0.000 -1.601 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0607 1787.9 8.3 scans 60% 57 m/z (87) 0.38% 0.0965% 5789 1.0 216 125861 6221340 5654839 2-2 19: 57 71 85 43 56 41 225 55 224 113 69 239 127 70 141 83 98 58 42 0.973 38.06 448.2 76 99 97 99 225 38.1 3.113 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5749 1795.2 9.6 scans 95% 73 m/z 0.012% 3.92% 5876 0.8 1330 3772902 252743112 238527026 2-3 20: 73 147 355 341 356 222 357 148 343 459 327 149 208 265 191 131 358 296 460 209 0.996 38.59 447.1 80 99 99 100 429 392.6 8.722 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1014 ? Heptadecane 38.8051 1798.5 10.0 scans 52% 71 m/z (109) 0.66% 0.0744% 5916 1.5 180 73192 4801215 4749956 0-2 20: 71 57 85 127 239 43 211 55 126 69 99 41 212 113 84 240 58 56 70 210 0.920 36.21 -52.4 71 85 90 86 240 17.0 0.896 2.594 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4616 1868.4 8.8 scans 70% 74 m/z (91) 0.25% 0.129% 6026 1.1 247 187875 8352503 7890119 3-3 16: 74 87 43 143 75 41 213 256 59 129 101 225 88 199 228 102 0.988 39.45 506.9 71 91 90 95 256 33.1 1.797 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.9480 1928.7 >22 scans 94% 95 m/z 0.013% 13.6% 6109 0.1 1796 3555696 14.2% 881996377 881996377 915187222 0-0 20: 95 123 81 43 69 55 67 41 97 109 124 96 111 79 137 110 53 70 56 94 0.999 39.94 559.6 81 100 100 100 278 123.3 0.471 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9864 1933.5 >5 scans 66% TIC 0.17% 0.137% 6115 1.8 370 278996 8870354 8054912 0-8 0.912 39.88 565.2 72 94 84 93 250 35.8 0.937 0.103 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3483 1978.3 7.5 scans 47% 149 m/z (237) 0.13% 0.0706% 6177 1.1 198 348386 4555208 4308277 2-2 9: 149 150 223 104 76 167 132 205 50 0.985 40.31 603.4 77 99 96 99 223 40.9 4.297 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N406_R~1-N1110 Phytol 40.4014 1984.9 8.4 scans 38% 81 m/z (178) 0.90% 0.0740% 6186 1.5 178 53798 0.0907% 4770180 4317275 5845597 3-0 14: 81 82 95 68 67 96 124 109 278 110 137 53 80 179 0.873 40.66 -32.3 82 90 83 89 278 20.8 1.356 -0.261 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6222 2012.3 7.0 scans 17% 221 m/z 2.5% 0.00868% 6223 1.0 75 18889 559797 528406 1-4 18: 221 73 147 295 281 207 369 148 296 355 327 283 223 222 279 282 341 208 0.807 40.63 632.2 71 96 75 94 369 13.5 3.226 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.6222 2012.3 7.0 scans 21% 221 m/z (69) 2.5% 0.0114% 6223 1.0 82 18815 736642 695334 1-4 18: 221 73 147 295 281 207 369 148 296 355 327 283 223 222 279 282 341 208 0.754 44.32 565.0 70 96 89 98 369 13.5 2.668 -3.698 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1254 Phytol 40.8618 2042.0 7.8 scans 74% 82 m/z (224) 0.62% 0.142% 6264 1.2 267 78198 9197419 8373670 2-3 12: 82 81 95 68 123 79 96 67 83 124 109 278 0.987 40.87 -0.7 96 98 99 99 278 30.2 1.283 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0230 2062.0 8.8 scans 24% 138 m/z (211) 1.5% 0.0257% 6291 1.1 107 31792 0.0301% 1662550 1504883 1939939 1-4 10: 138 120 109 121 262 124 139 65 63 64 0.846 41.00 676.2 72 97 85 97 262 14.3 1.775 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N407_R~1-N1144 ?? Sclareoloxide 41.1186 2073.8 9.1 scans 16% 229 m/z (67 74) 4.4% 0.0204% 6307 0.9 96 10946 1321166 1212876 4-1 12: 229 122 123 94 192 136 177 189 137 135 146 107 0.675 41.13 686.0 63 93 63 92 262 19.2 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2550 2090.7 7.6 scans 76% 79 m/z (225) 0.29% 0.201% 6330 1.0 336 162930 13003199 12266771 1-1 19: 79 67 93 95 80 91 55 121 108 41 81 77 94 107 78 87 135 59 122 0.976 41.26 -0.3 96 98 97 99 264 20.5 0.374 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4545 2115.5 8.1 scans 75% 205 m/z 0.26% 0.327% 6364 0.7 428 180878 21125919 19907692 2-2 19: 205 57 217 175 55 189 220 177 41 232 91 191 261 67 109 77 115 135 161 0.881 41.49 -81.1 84 99 93 99 276 25.6 0.359 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 41.6612 2129.0 8.7 scans 5.0% 120 m/z (96) 2.7% 0.00767% 6399 0.6 59 17438 494942 458662 4-0 4: 120 118 203 229 0.090 42.40 -41.4 60 78 9 72 272 4.5 0.000 -0.738 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6612 2129.0 8.7 scans 43% 120 m/z (43) 0.55% 0.0658% 6399 0.6 174 88408 4243560 3932499 4-0 4: 120 118 203 229 0.912 41.75 731.5 71 97 90 95 272 6.8 0.000 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0431 2150.4 9.4 scans 94% 74 m/z 0.011% 3.29% 6464 0.5 1236 4316647 212075645 201132049 2-2 20: 74 87 143 43 55 75 270 41 57 69 129 239 83 59 185 97 171 101 199 71 0.996 42.01 748.4 80 100 99 100 272 29.3 0.056 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3389 2167.0 8.7 scans 84% TIC 0.12% 0.239% 6514 1.1 360 396554 15442692 14073835 3-3 0.966 42.37 758.0 76 93 96 99 503 56.2 2.436 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9971 2204.0 7.7 scans 64% 82 m/z (157) 0.35% 0.0543% 6625 1.1 170 137662 3504060 3240935 2-2 10: 82 95 81 109 292 96 53 94 137 79 0.942 43.03 781.9 63 89 88 90 292 15.5 0.824 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1689 2213.6 8.0 scans 12% 187 m/z (57) 4.7% 0.00824% 6654 1.1 64 10223 531234 481279 2-1 12: 187 159 119 134 105 272 188 161 162 273 93 163 0.574 43.24 -3.8 88 97 61 96 272 16.6 6.686 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8554 2252.2 8.5 scans 53% 71 m/z (149) 1.3% 0.0362% 6771 1.1 131 35915 2335841 2107112 1-4 18: 71 57 85 127 43 239 55 126 99 84 69 113 72 70 42 141 268 86 0.956 43.94 -4.5 61 60 85 79 282 4.5 0.119 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN N419_R~1-N1158 ?? Manool oxide 44.2887 2277.0 10.2 scans 19% 159 m/z (221) 15% 0.00594% 6843 1.1 51 3148 382986 382986 0-0 20: 159 257 161 82 81 109 95 67 258 191 149 105 192 137 276 177 41 189 119 148 0.610 43.83 839.4 64 95 59 91 275 14.7 8.259 0.462 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1234 Thunbergol 45.1618 2327.2 9.2 scans 56% TIC 1.3% 0.0743% 6992 1.4 187 36742 4794077 4373524 2-3 0.692 44.90 15.0 86 89 66 87 272 15.1 0.650 0.261 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8047 2364.2 7.4 scans 48% 73 m/z 1.1% 0.0197% 7100 1.2 106 40971 1273921 1186260 2-2 20: 73 147 355 221 281 267 357 222 282 207 429 356 295 74 133 283 223 205 327 401 0.796 45.78 1.6 94 96 76 94 503 10.0 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9251 2371.2 9.3 scans 42% 74 m/z (67) 0.44% 0.0650% 7122 1.0 176 108497 0.0881% 4192952 4018521 5678028 2-0 19: 74 87 75 143 298 199 255 256 101 213 88 185 267 270 186 144 76 242 269 0.911 45.92 892.5 75 98 85 97 298 29.1 2.744 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1217 2382.5 8.6 scans 92% TIC 0.045% 1.40% 7154 0.8 850 1066606 90572631 84957565 1-4 0.983 46.13 -0.7 96 94 96 100 292 58.9 0.481 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7587 2419.1 7.8 scans 66% 74 m/z 0.43% 0.0585% 7262 1.0 183 112792 3770990 3484658 3-3 20: 74 87 75 143 43 55 255 298 41 57 69 200 199 59 97 83 101 129 88 267 0.871 46.76 924.0 78 99 86 98 298 32.2 3.106 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9529 2545.4 7.4 scans 55% 73 m/z (117) 2.8% 0.00873% 7634 0.8 68 16994 562632 524983 3-2 18: 73 355 281 207 429 431 430 75 148 341 282 205 265 223 208 283 222 356 0.806 48.95 995.0 72 100 82 98 429 19.1 7.790 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8597 2712.7 7.9 scans 43% 73 m/z (55) 5.0% 0.00441% 8127 1.3 48 9574 284686 264245 2-6 8: 73 207 148 341 281 221 430 223 0.666 51.86 1081.8 66 92 63 88 503 7.9 2.722 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6366 2872.5 9.4 scans 26% 73 m/z (85) 10% 0.00260% 8597 1.1 33 4610 167966 144287 4-1 7: 73 355 221 147 295 56 222 0.592 45.81 1396.0 65 96 62 90 503 5.2 0.000 8.825 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0790 770.4 12.2 scans 76% 77 m/z 0.12% 0.120% 32 3.7 175 329184 5645460 5440855 0-2 18: 77 55 45 78 76 84 59 56 63 61 47 42 92 83 64 53 60 39 0.900 4.37 16.4 100 100 98 100 77 150.8 74.108 -0.292 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.2160 826.1 9.5 scans 53% 57 m/z (69) 0.77% 0.0323% 395 0.3 89 53991 1510604 1102421 1-9 20: 57 41 39 56 59 45 58 87 55 72 82 42 102 71 53 38 40 60 85 54 0.759 6.03 -135.5 72 96 91 97 102 7.8 0.766 0.183 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5914 835.9 15.2 scans 78% 207 m/z 0.47% 0.0503% 458 2.3 103 87618 2349808 2236447 1-1 16: 207 209 177 191 133 208 119 193 147 192 161 149 165 189 179 105 0.888 6.53 -140.9 80 100 88 99 207 77.8 57.403 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6865 864.4 8.6 scans 88% TIC 0.95% 0.0823% 644 2.4 157 43564 3844820 3702851 1-2 0.957 7.71 9.1 100 99 95 99 98 32.8 4.365 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKSTART-N1002 ? Contamination 12.22min 12.2368 982.8 8.0 scans 31% 43 m/z 0.48% 0.0308% 1414 1.3 107 85438 1439851 1257027 3-7 10: 43 99 71 41 39 42 142 72 83 56 0.442 12.22 36.5 78 92 0 90 281 66.8 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6771 994.3 9.2 scans 82% 81 m/z 0.28% 0.0963% 1489 2.0 167 147984 4499377 4006001 3-2 20: 81 110 53 39 79 41 67 68 77 51 65 82 95 66 54 50 111 40 55 63 0.946 13.22 30.7 95 96 91 99 110 50.3 9.080 -0.545 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1022 ? Octanal 12.9357 1001.1 7.9 scans 63% 84 m/z (45) 4.2% 0.0191% 1533 1.3 83 9678 894484 855213 1-2 13: 84 43 57 56 41 44 55 69 82 85 42 100 68 0.945 12.96 -173.7 74 98 94 99 110 9.0 1.175 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1024 ?? p-Cymene 13.7285 1022.6 9.8 scans 26% 119 m/z (87) 6.6% 0.00324% 1667 2.2 29 6259 151582 129426 2-4 5: 119 134 89 115 91 0.636 13.76 -176.9 61 92 53 94 134 11.2 14.799 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1016 Limonene 13.9062 1027.4 8.0 scans 80% 68 m/z 0.81% 0.0599% 1698 1.3 149 51264 2801604 2543430 2-4 20: 68 93 67 79 121 94 136 92 107 53 77 39 41 80 81 52 95 105 55 78 0.932 13.89 52.1 90 98 92 98 136 29.8 3.964 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1335 1033.5 12.0 scans 95% 79 m/z 0.021% 2.56% 1736 0.6 788 1899779 119567111 108570270 2-6 20: 79 108 107 77 51 91 78 50 80 90 89 39 63 65 53 52 105 74 62 38 0.997 14.11 54.5 92 100 100 100 108 348.1 19.508 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4582 1042.3 8.9 scans 70% 91 m/z 0.27% 0.0650% 1791 1.5 143 148644 3037714 2621698 2-6 19: 91 120 92 65 63 89 39 51 121 50 64 76 90 93 74 38 66 86 61 0.943 14.44 57.5 90 99 94 99 120 47.5 11.049 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0154 1057.4 7.8 scans 47% TIC 3.2% 0.0102% 1885 1.2 75 12835 480721 442507 1-1 0.726 18.83 4.7 75 83 70 82 122 0.0 0.000 -3.815 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1784 1061.8 10.1 scans 89% 105 m/z 0.085% 0.366% 1913 1.9 305 485733 17121672 15644894 2-2 20: 105 77 123 51 46 106 50 78 74 124 76 75 52 79 53 38 94 64 63 73 0.974 15.17 64.4 90 100 98 100 123 108.8 12.706 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN 98-86-2 ? Acetophenone 15.2776 1064.5 8.4 scans 28% 120 m/z (122) 1.1% 0.0235% 1929 1.4 84 34937 1101302 942167 2-2 4: 120 107 89 62 0.940 15.29 -181.2 75 96 95 98 120 31.1 13.668 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4334 1068.7 8.3 scans 48% TIC 1.1% 0.0163% 1956 1.1 96 37385 765113 750781 0-1 0.815 15.43 67.0 83 97 88 97 124 29.6 9.447 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1002 Undecane 16.6117 1101.0 8.1 scans 55% 57 m/z 2.3% 0.0124% 2155 1.1 72 17824 582906 521352 2-2 15: 57 43 71 41 84 70 56 55 42 39 99 112 59 113 53 0.829 16.59 1.0 92 94 82 92 156 9.8 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1016 Nonanal 16.7817 1108.2 8.6 scans 87% TIC 0.37% 0.187% 2184 1.2 248 111686 8755371 7312594 10-5 0.965 16.82 85.8 82 99 96 98 124 15.7 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9618 1115.8 8.4 scans 35% 71 m/z 2.6% 0.00843% 2215 1.4 59 15586 393702 346896 2-2 15: 71 95 58 110 43 128 57 84 85 72 70 69 113 59 156 0.772 16.97 91.1 75 95 70 93 128 17.1 8.535 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.0645 1120.2 9.8 scans 94% 91 m/z 0.020% 1.18% 2232 0.9 599 2002940 55449416 51603197 2-4 20: 91 92 122 65 77 51 63 39 93 89 78 103 104 123 50 62 90 52 79 66 0.995 17.05 94.2 82 99 97 100 122 201.4 11.315 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0769 1162.9 9.0 scans 69% 73 m/z 0.58% 0.0536% 2404 1.6 133 71126 2505439 2280710 2-3 20: 73 355 267 356 357 268 269 251 74 155 170 358 323 341 194 249 75 191 250 192 0.857 18.13 -168.8 79 99 82 98 355 59.5 20.049 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1018 ?? Pyranone 18.1330 1165.3 9.3 scans 18% 43 m/z 4.6% 0.00622% 2413 1.4 46 8919 290655 249588 3-6 8: 43 122 72 144 104 103 115 63 0.864 18.22 121.8 64 87 70 87 144 22.8 24.451 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN M4942-N1002 ?? Pyranone 18.1330 1165.3 9.3 scans 21% 43 m/z (73) 4.9% 0.00883% 2413 1.4 50 8461 412594 354298 3-6 8: 43 122 72 144 104 103 115 63 0.684 20.04 -225.2 66 96 79 94 144 21.9 19.208 -1.909 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.2434 1170.0 9.1 scans 8.1% TIC 11% 0.000861% 2432 0.9 24 3477 40201 40201 0-0 0.258 12.25 16.9 69 85 16 81 281 13.8 31.783 5.992 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1026 ?? Limonene 18.6879 1188.8 9.1 scans 50% 93 m/z (125) 3.1% 0.0166% 2508 1.4 74 13115 776905 743740 0-1 20: 93 67 79 55 97 39 98 107 65 81 77 80 84 96 83 94 70 66 112 92 0.858 13.94 -16.1 69 76 74 78 136 4.6 0.000 4.753 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7977 1235.6 8.2 scans 89% 57 m/z 0.13% 0.256% 2695 1.2 306 311580 11985342 10875543 2-4 20: 57 45 41 75 87 56 89 72 101 100 59 43 85 60 73 44 71 55 58 62 0.979 19.81 168.1 78 97 93 100 144 6.0 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3208 1257.7 8.8 scans 41% 57 m/z (131) 4.5% 0.00789% 2783 1.2 50 9092 368599 318637 6-3 7: 57 71 41 70 98 170 56 0.909 20.32 0.0 91 96 86 93 170 6.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1034 ? Decanal 20.5256 1263.9 8.2 scans 83% 57 m/z 0.55% 0.145% 2818 1.0 232 75321 6782646 6030526 5-3 19: 57 41 55 43 82 70 71 68 83 44 56 81 67 112 69 96 39 42 84 0.968 20.57 -143.1 79 99 99 99 138 12.8 0.304 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.8692 1274.2 8.5 scans 60% 81 m/z (133) 1.0% 0.0374% 2877 1.2 115 37888 1749534 1682210 1-1 17: 81 57 41 55 83 54 44 67 80 82 68 69 42 70 53 98 124 0.968 16.82 -17.2 66 69 74 69 124 13.5 1.378 4.054 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1006 ? Arosol 20.9347 1276.1 9.6 scans 57% 94 m/z 0.29% 0.0613% 2888 1.5 136 143031 2865929 2563265 8-3 10: 94 138 77 66 51 139 50 38 64 76 0.828 20.98 191.1 76 98 74 96 152 2.7 0.000 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8946 1335.0 8.2 scans 16% 109 m/z (71) 1.6% 0.0260% 3220 1.0 91 25823 1216936 1067878 4-6 3: 109 86 110 0.657 22.91 221.4 62 91 78 90 127 8.3 0.829 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.0292 1339.0 >13 scans 75% TIC 0.27% 0.209% 3243 0.3 242 149053 0.317% 9766750 7396845 14804692 0-7 0.966 22.70 -136.3 77 97 95 98 158 16.1 0.439 0.333 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.0292 1339.0 >21 scans 77% 60 m/z (127) 0.28% 0.371% 3243 0.2 244 144594 17359291 14559967 1-7 20: 60 73 115 57 129 55 41 43 98 87 69 39 61 45 101 56 74 83 116 96 0.988 25.35 189.8 74 94 93 98 162 0.0 0.000 -2.325 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0876 1371.5 7.3 scans 73% 73 m/z 0.18% 0.162% 3422 1.1 262 228377 7601634 7043773 2-4 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 148 75 45 251 193 0.882 24.17 -152.3 79 99 88 99 429 78.0 8.866 -0.083 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5428 1386.7 >8 scans 58% TIC 1.5% 0.0127% 3499 1.2 97 27706 594449 564065 1-0 0.929 24.54 249.4 76 98 91 96 169 10.1 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1006 ? Tridecane 24.5428 1386.7 7.5 scans 61% 71 m/z (157) 1.6% 0.0274% 3499 1.7 100 25131 0.0301% 1282650 1213174 1405745 1-0 15: 71 57 85 43 113 56 84 99 127 126 86 141 72 58 112 0.930 23.86 22.7 78 84 90 83 184 0.0 0.000 0.681 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.1886 1408.3 7.8 scans 33% 43 m/z (71) 1.3% 0.0119% 3609 0.8 64 30032 559586 490681 3-3 9: 43 103 145 115 116 86 137 74 122 0.876 25.24 -151.6 68 90 90 99 145 22.8 12.668 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1004 ? Nicotine 25.3988 1415.3 12.4 scans 95% TIC 0.0092% 4.09% 3644 1.0 984 4499127 191344370 180469244 2-3 0.989 25.89 258.3 77 96 94 97 162 258.6 6.902 -0.493 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0971 1472.1 6.5 scans 59% 221 m/z (183) 1.3% 0.0222% 3932 1.0 100 31469 1039015 958751 2-2 20: 221 73 147 281 222 355 267 223 283 282 443 205 207 148 339 444 356 268 74 191 0.880 27.12 297.2 75 97 87 96 355 19.4 3.719 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1692 1474.5 7.7 scans 81% 57 m/z (183) 0.37% 0.0909% 3944 1.1 186 110385 0.120% 4248849 4047668 5604300 1-0 20: 57 71 43 85 41 56 55 99 70 198 42 84 83 69 141 98 112 127 113 126 0.989 27.21 -1.3 96 98 97 98 198 22.2 1.426 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1032 ?? Myosmine 28.0446 1507.2 13.4 scans 38% 146 m/z (147) 1.8% 0.0284% 4092 2.2 80 22063 1328260 1267041 3-1 13: 146 145 118 105 78 104 175 117 190 116 106 129 38 0.783 27.93 320.5 69 94 82 95 146 34.0 18.078 0.114 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 28.5446 1526.0 8.4 scans 53% 108 m/z (83) 3.2% 0.0312% 4177 1.0 104 12679 1457474 1354628 3-0 19: 108 204 121 107 93 147 189 105 109 91 119 134 161 133 176 81 97 79 122 0.937 45.98 46.3 68 77 74 77 204 18.2 3.042 -17.430 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6538 1530.1 7.7 scans 82% 43 m/z 0.11% 0.280% 4196 1.0 339 370370 13106481 12121557 1-11 20: 43 69 41 151 136 107 67 125 93 109 53 121 83 39 81 68 108 55 79 77 0.961 28.67 332.7 79 99 95 98 194 21.4 0.400 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0877 1546.4 7.6 scans 76% 71 m/z (179) 0.32% 0.203% 4269 1.2 280 126605 0.250% 9513079 8952447 11675624 1-0 20: 71 57 43 85 177 41 220 70 55 56 141 113 135 112 99 149 67 163 205 84 0.969 29.09 342.7 73 94 95 98 220 44.7 2.560 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5069 1562.2 8.3 scans 90% 281 m/z 0.024% 1.90% 4340 0.9 843 1725146 88993076 83101979 2-2 20: 281 73 147 327 282 415 341 221 399 328 416 148 325 417 505 207 383 133 45 401 0.986 29.61 -150.9 79 98 97 99 503 139.2 2.728 -0.107 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6474 1567.5 9.0 scans 74% 177 m/z (202) 0.092% 0.502% 4363 1.0 402 449661 23448534 21326142 2-1 20: 177 158 157 130 43 159 91 178 77 135 79 105 117 116 93 89 63 107 119 149 0.858 29.68 355.0 77 99 84 99 192 35.1 0.762 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7466 1571.2 7.9 scans 63% 123 m/z (211) 0.14% 0.113% 4381 1.0 204 285143 5314026 4792838 1-7 11: 123 135 124 107 95 91 109 79 77 193 125 0.981 29.77 357.2 77 98 97 99 193 17.0 0.700 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9343 1578.3 9.1 scans 68% 71 m/z (167) 0.24% 0.226% 4413 1.0 256 169514 10574533 9870995 1-2 17: 71 85 57 43 99 113 84 69 127 70 155 55 56 112 42 58 178 0.928 29.94 361.9 74 96 96 99 254 6.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.3162 1592.6 7.3 scans 31% 71 m/z (153) 1.4% 0.0216% 4477 1.5 91 28182 1008782 917232 0-1 20: 71 43 85 99 56 154 98 70 150 182 83 113 58 54 86 97 84 72 140 151 0.924 30.38 -2.3 83 92 89 89 212 11.8 0.000 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4898 1599.6 8.0 scans 88% 191 m/z 0.027% 0.601% 4506 1.0 489 1521413 28108633 26556391 2-2 20: 191 206 192 57 163 74 175 91 41 115 107 207 73 77 88 128 147 161 133 105 0.984 30.50 374.8 80 100 98 100 206 129.5 7.013 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8162 1613.4 8.6 scans 59% 124 m/z 0.21% 0.156% 4562 0.9 237 197381 7292592 6658071 3-4 15: 124 137 55 180 125 81 138 54 82 109 96 53 123 110 181 0.904 30.81 384.0 79 100 89 99 180 64.6 7.441 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8581 1615.1 9.0 scans 56% 162 m/z (124) 0.26% 0.134% 4569 1.1 208 159212 6287140 5798834 2-3 15: 162 147 161 163 148 77 103 115 118 145 63 144 89 143 66 0.917 30.88 -0.9 78 81 64 81 204 4.7 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1864 1628.9 9.5 scans 74% TIC 0.16% 0.250% 4624 0.9 300 250818 11702167 10924275 2-1 0.890 31.18 393.9 78 99 95 99 180 63.9 4.532 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5081 1642.4 8.9 scans 68% 43 m/z (91) 0.39% 0.0951% 4679 1.0 177 105510 4445885 4013067 2-1 19: 43 98 111 166 55 151 82 127 68 41 83 123 107 67 39 59 99 84 81 0.968 31.52 -0.3 95 98 97 98 166 35.6 4.034 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9196 1659.7 8.1 scans 53% 83 m/z (143) 0.84% 0.0552% 4748 0.9 139 49466 2577976 2273563 1-2 19: 83 82 55 57 43 85 41 69 155 210 84 56 127 67 70 97 99 113 112 0.947 31.92 0.0 74 78 89 83 219 2.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0766 1666.3 6.8 scans 50% 221 m/z 0.64% 0.0380% 4775 1.0 132 64657 1779253 1707990 2-1 20: 221 73 147 222 207 295 341 223 355 325 296 281 356 326 267 208 74 297 209 343 0.882 32.08 -0.1 96 97 84 96 355 23.3 3.085 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2265 1672.6 8.3 scans 67% 57 m/z (170) 0.50% 0.115% 4801 1.2 202 82462 5410914 5101918 1-3 19: 57 149 105 77 100 123 150 137 51 91 39 113 106 79 135 83 136 58 166 0.841 32.24 -0.5 66 72 76 81 226 5.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4361 1681.4 8.2 scans 66% 57 m/z (98) 0.45% 0.0933% 4836 1.0 183 91044 4360726 4155777 1-1 20: 57 85 71 56 43 41 55 196 113 197 127 97 141 70 83 168 42 58 155 169 0.961 32.44 -0.3 84 88 90 87 226 7.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6675 1691.2 8.5 scans 66% 205 m/z 0.70% 0.185% 4875 1.0 259 59337 8653517 7943540 5-3 12: 205 119 105 159 162 147 187 133 131 145 121 106 0.885 32.67 -0.3 92 93 80 93 220 17.9 0.477 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8659 1699.5 7.8 scans 24% 70 m/z (149) 0.59% 0.0438% 4909 1.3 123 70066 2048190 1829114 4-3 3: 70 187 202 0.779 32.87 -0.0 65 75 67 74 186 2.0 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9278 1702.1 16.5 scans 71% TIC 0.095% 0.172% 4919 0.8 254 436525 0.243% 8041582 7819094 11348707 0-1 0.952 32.93 -0.2 95 94 89 98 243 37.2 2.146 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3068 1718.0 7.9 scans 61% 57 m/z 0.35% 0.0723% 4984 0.9 188 117376 0.101% 3380027 3380027 4716952 0-0 18: 57 71 43 85 41 56 99 55 70 226 42 113 112 98 72 126 140 58 0.913 33.37 -2.8 85 89 86 88 226 23.1 1.507 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1212 ?? Hexadecene 33.6717 1725.1 7.9 scans 81% 82 m/z (143) 0.35% 0.271% 5045 1.0 317 116391 12673739 11762482 2-2 20: 82 57 55 41 43 96 68 83 67 69 81 95 71 97 56 70 44 110 109 84 0.986 33.09 16.4 63 59 74 82 224 5.6 0.000 0.587 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8918 1728.2 6.3 scans 23% 71 m/z (202) 2.7% 0.0125% 5082 1.3 77 14974 587351 543790 1-1 20: 71 57 43 70 85 197 99 56 41 196 84 113 141 55 123 127 39 124 225 98 0.830 33.90 -0.1 84 90 87 95 197 13.3 2.975 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2750 1733.7 7.6 scans 31% 57 m/z (142) 1.0% 0.0324% 5147 0.9 113 40259 1516813 1414475 0-1 15: 57 71 85 43 211 98 210 41 79 191 127 162 196 212 141 0.882 34.27 0.1 81 87 84 92 211 21.5 3.618 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.3830 1735.2 8.6 scans 96% 355 m/z 0.011% 4.25% 5166 0.7 1244 3493724 198630852 189413189 2-2 20: 355 73 221 147 281 356 401 415 207 283 385 416 325 341 339 191 399 359 265 45 0.996 34.39 452.2 81 100 99 100 415 153.1 1.514 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8677 1742.2 19.7 scans 92% TIC 0.017% 3.08% 5248 0.2 773 2393760 144220669 130287832 0-8 0.994 34.79 453.2 80 99 98 99 199 219.7 8.071 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9060 1742.7 8.0 scans 36% 68 m/z (91) 0.77% 0.0788% 5254 1.0 167 53699 3684510 3326450 2-3 2: 68 224 0.927 34.90 0.0 84 86 88 95 224 21.7 1.693 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3464 1749.0 8.1 scans 64% 57 m/z 0.29% 0.201% 5329 0.9 286 139453 9404425 8316144 6-1 20: 57 71 43 69 56 55 85 126 41 95 81 70 111 82 83 67 96 137 97 109 0.863 35.35 451.6 76 99 89 98 196 26.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9350 1757.4 9.0 scans 64% 91 m/z (85) 0.23% 0.226% 5429 1.1 271 174336 10592022 9587871 2-3 14: 91 155 65 184 199 44 92 83 97 105 89 63 39 131 0.938 35.94 451.0 70 92 87 93 238 8.3 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5383 1766.1 7.4 scans 4.1% 221 m/z 0.68% 0.0517% 5531 1.1 147 60743 2414855 2256165 2-3 19: 221 73 147 207 295 222 281 369 341 223 296 282 327 355 148 325 370 342 283 0.910 36.58 449.6 74 96 83 95 369 23.7 2.596 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2012 1775.6 8.3 scans 9.6% 209 m/z 1.8% 0.00798% 5644 0.9 57 22106 372835 352488 2-2 13: 209 224 181 210 165 167 178 104 166 182 103 225 194 0.640 37.20 449.3 70 93 50 90 224 24.2 18.286 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3051 1777.0 9.9 scans 47% 85 m/z (129) 1.0% 0.0656% 5661 1.1 142 40525 3067014 2807955 1-3 20: 85 71 57 43 99 84 113 211 55 69 169 41 127 56 155 126 154 111 141 112 0.924 38.91 -23.0 81 87 92 86 254 2.4 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1108 ?? Solavetivone 37.3990 1778.4 8.5 scans 36% 218 m/z (71) 4.1% 0.0338% 5677 1.0 110 9957 1582668 1438008 2-1 12: 218 162 147 161 203 119 133 121 136 106 120 190 0.850 38.84 426.4 62 88 76 87 272 0.0 0.000 -1.444 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0560 1787.8 7.7 scans 67% 57 m/z (122) 0.39% 0.106% 5788 1.0 200 104750 4986173 4558240 3-2 20: 57 71 85 43 56 225 41 99 55 224 113 69 127 141 70 98 83 155 42 226 0.958 38.06 448.1 76 99 98 99 225 37.4 3.500 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5862 1795.4 9.2 scans 89% 73 m/z 0.047% 0.926% 5878 1.2 557 881307 43279248 40460327 2-2 20: 73 429 147 221 355 430 281 341 431 207 356 222 357 74 148 267 282 342 325 223 0.979 38.59 447.3 80 100 97 99 429 160.9 8.342 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8058 1798.5 10.5 scans 38% 71 m/z (191) 0.82% 0.0614% 5915 1.5 134 50163 2871905 2651535 1-2 20: 71 57 85 127 239 43 211 126 55 84 41 99 113 69 189 155 240 70 58 141 0.743 36.21 -52.4 60 86 81 84 240 14.7 0.000 2.595 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1192 1825.9 7.9 scans 23% 159 m/z (98) 4.8% 0.00997% 5969 1.0 63 8576 466040 459213 1-3 6: 159 162 160 120 132 146 0.792 39.14 469.2 69 95 71 92 272 8.4 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4604 1868.2 9.3 scans 43% 74 m/z 0.55% 0.0562% 6026 1.1 140 74427 2625961 2491477 3-3 15: 74 87 143 75 213 41 226 101 227 129 59 225 256 199 157 0.681 39.45 506.7 73 99 71 94 256 21.8 2.438 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9788 1932.5 >22 scans 96% 95 m/z 0.011% 20.2% 6114 0.1 1817 3669920 944716568 920031066 0-4 20: 95 123 82 68 81 83 57 97 71 96 110 137 85 125 179 65 80 98 152 126 0.999 39.94 563.4 81 100 100 100 278 124.6 0.470 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1020 ? Hexahydrofarnesyl acetone 40.0130 1936.7 >4 scans 21% 58 m/z 0.43% 0.0306% 6120 2.1 156 95272 1432679 1349911 0-7 15: 58 59 43 250 110 210 165 113 180 253 124 60 225 251 194 0.664 39.98 567.0 70 95 66 93 268 7.3 0.000 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3566 1979.3 7.3 scans 55% 149 m/z (178) 0.11% 0.0960% 6178 1.0 196 352633 4487174 4108861 2-2 10: 149 150 223 104 76 167 205 224 132 50 0.985 40.31 604.4 76 98 94 98 223 42.6 4.731 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1110 ? Phytol 40.4073 1985.6 8.5 scans 45% 82 m/z (59 191) 0.84% 0.114% 6187 1.7 181 49521 5325498 4819403 3-3 14: 82 81 95 68 123 79 96 67 124 278 53 110 94 137 0.807 40.66 -31.6 78 92 76 91 278 20.2 0.000 -0.255 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6116 2011.0 7.2 scans 46% 73 m/z (82) 0.98% 0.0373% 6221 1.1 123 42310 1745392 1580472 2-3 19: 73 147 221 295 281 207 222 369 208 296 283 282 148 355 370 75 74 209 267 0.900 40.63 630.9 73 96 91 99 369 19.6 2.532 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N407_R~1-N1146 ?? Methyl-b-ionone 40.8341 2038.6 8.5 scans 11% 191 m/z (82) 1.0% 0.0179% 6259 0.9 79 40623 836227 789742 1-5 6: 191 107 135 149 184 148 0.719 41.29 648.2 60 87 56 85 229 1.9 0.000 -0.457 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1254 Phytol 40.8625 2042.1 8.5 scans 77% 82 m/z (191) 0.54% 0.203% 6264 1.3 254 76506 9518639 8763496 2-3 19: 82 81 95 68 123 57 43 69 79 67 71 96 83 41 97 109 124 278 111 0.980 40.87 -0.6 97 100 98 99 278 31.7 1.556 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BQLD_R~1-N1056 ?? Homosalate 41.0242 2062.1 9.3 scans 21% 138 m/z (67) 1.9% 0.0230% 6291 1.3 83 21015 0.0256% 1075342 921612 1195584 2-3 6: 138 120 121 124 65 64 0.736 41.00 676.3 69 96 78 95 262 9.3 1.276 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2491 2090.0 7.8 scans 61% 79 m/z 0.47% 0.123% 6329 1.1 225 88475 0.136% 5765295 5029532 6351540 3-9 20: 79 67 93 95 80 91 55 108 121 81 41 94 77 107 135 83 69 43 59 68 0.796 41.26 -1.0 96 98 82 96 264 16.6 0.546 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4386 2113.5 8.1 scans 53% 205 m/z 0.54% 0.138% 6361 1.0 237 76081 6453517 6013215 2-3 19: 205 217 57 175 189 55 177 220 232 191 261 91 192 203 67 95 233 77 206 0.728 41.49 -83.1 82 98 75 97 276 17.2 0.527 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6453 2128.1 10.1 scans 50% 69 m/z (125) 0.56% 0.0773% 6396 0.7 152 73684 3613845 3428334 2-1 18: 69 93 81 41 133 67 79 107 109 68 91 95 119 121 53 77 94 134 0.876 41.75 730.6 70 96 87 94 272 2.5 0.000 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0201 2149.2 8.3 scans 94% 74 m/z 0.018% 2.03% 6460 0.7 872 2232230 94963618 88658656 2-2 20: 74 87 143 43 55 75 227 41 69 57 83 129 239 59 97 101 185 171 88 241 0.995 42.01 747.2 80 100 99 100 272 20.3 0.054 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3495 2167.6 7.6 scans 69% 73 m/z 0.37% 0.0888% 6516 1.1 188 110032 4151165 3974312 1-2 20: 73 147 281 221 429 503 341 207 148 356 222 283 430 415 74 295 505 327 357 342 0.916 42.37 758.6 76 97 92 98 503 32.2 2.913 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9959 2203.9 7.7 scans 69% 82 m/z (252) 0.29% 0.0762% 6625 1.0 170 142103 3561843 3342696 2-1 12: 82 81 95 43 83 292 109 96 94 137 53 135 0.907 43.03 781.8 68 93 88 95 292 20.7 1.487 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1642 2213.4 8.5 scans 19% 187 m/z 2.4% 0.0147% 6653 1.2 77 17323 689839 634960 4-1 14: 187 81 161 105 119 159 91 135 106 175 93 145 133 120 0.621 43.24 -4.0 92 96 59 94 272 22.8 8.683 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8519 2252.0 8.8 scans 48% 71 m/z (220) 1.9% 0.0275% 6770 1.2 97 21482 1288252 1242731 0-1 17: 71 57 85 43 55 126 41 268 99 113 84 267 141 127 112 197 169 0.918 43.94 -4.7 60 65 82 80 282 4.0 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1238 ?? Trachylobane 44.1412 2268.5 8.4 scans 5.5% 79 m/z 16% 0.000937% 6819 1.2 22 2562 43745 38992 1-3 19: 79 257 149 201 137 81 93 105 95 135 91 123 237 106 121 94 133 134 109 0.193 44.15 -0.8 63 77 14 71 272 6.7 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN N419_R~1-N1158 ? Manool oxide 44.2834 2276.7 8.5 scans 31% 275 m/z (297) 5.5% 0.0173% 6843 0.9 77 7517 810051 733769 1-2 14: 275 192 257 107 133 177 95 123 164 258 121 138 109 136 0.791 43.83 839.1 72 97 77 95 275 22.1 8.127 0.456 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.3023 2277.8 6.9 scans 37% 221 m/z (275) 1.8% 0.0193% 6846 1.2 90 22918 905043 814154 2-3 18: 221 73 147 295 281 207 369 222 296 223 297 401 341 148 209 74 371 356 0.825 44.32 830.5 72 96 89 99 369 16.5 3.360 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1234 Thunbergol 45.1630 2327.3 8.9 scans 79% 137 m/z 0.52% 0.262% 6992 1.0 303 79130 12267636 10938702 3-3 20: 137 81 95 69 93 257 55 71 123 107 109 79 41 43 67 121 91 136 105 94 0.913 44.90 15.1 83 84 81 84 272 22.1 0.531 0.262 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7994 2363.9 7.6 scans 57% 73 m/z 0.92% 0.0339% 7100 1.1 117 44886 1585588 1438228 2-1 20: 73 355 147 221 281 356 357 207 222 282 341 74 358 148 283 327 145 223 297 75 0.834 45.78 1.3 95 96 80 94 503 11.3 0.919 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1164 2382.2 8.3 scans 93% 79 m/z 0.053% 1.41% 7154 0.8 728 783252 66072050 62737845 2-3 20: 79 67 95 93 80 108 81 55 41 91 107 94 77 121 135 69 109 78 59 149 0.986 46.13 -1.0 96 94 96 99 292 52.4 0.519 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4216 2399.7 16.1 scans 13% TIC 6.3% 0.00643% 7205 0.9 43 6554 300679 281347 1-1 0.250 46.49 -4.3 80 89 17 82 290 8.1 0.000 -0.073 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7605 2419.2 8.0 scans 61% 74 m/z 0.75% 0.0379% 7263 0.9 125 54761 1771848 1677583 2-3 20: 74 87 75 143 43 55 255 41 57 199 59 69 213 88 129 101 97 298 83 181 0.820 46.76 924.1 76 97 80 95 298 24.6 3.895 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9400 2544.7 8.0 scans 66% TIC 1.1% 0.0256% 7632 1.4 101 34898 1195838 1123195 3-4 0.789 48.95 994.3 72 96 80 98 429 28.6 7.955 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8633 2712.9 9.1 scans 49% 73 m/z 2.4% 0.0136% 8127 1.5 65 17046 639374 569216 2-3 20: 73 147 221 281 431 223 355 503 222 415 295 430 357 341 74 504 279 75 432 401 0.663 51.86 1082.0 73 96 65 93 503 11.1 2.869 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1345 771.9 >24 scans 60% 77 m/z 0.30% 0.0506% 42 3.4 107 130274 0.0571% 2670010 2601429 3009548 0-1 10: 77 78 45 79 59 75 74 63 61 92 0.974 4.37 17.9 99 99 95 99 77 93.2 76.167 -0.236 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.1399 824.1 9.6 scans 48% 57 m/z (56) 1.0% 0.0178% 382 0.6 70 36865 943187 863727 1-5 12: 57 41 39 59 45 55 53 58 87 102 51 50 0.855 6.03 -137.5 72 99 89 98 102 8.8 0.000 0.107 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5242 834.1 18.7 scans 70% 207 m/z 0.51% 0.0404% 447 2.8 93 77270 2132505 1970024 2-1 16: 207 208 209 191 96 133 103 163 178 161 165 87 117 176 135 105 0.864 6.53 -142.7 80 100 85 99 207 71.8 59.234 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6311 862.9 8.6 scans 84% 41 m/z 1.2% 0.0450% 635 1.9 130 31104 0.0551% 2372888 2335123 2904135 1-0 20: 41 69 55 83 39 42 57 98 70 97 80 53 56 43 51 54 38 40 81 50 0.951 7.71 7.6 100 99 94 99 98 28.5 4.846 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2811 984.0 >18 scans 32% 177 m/z (134) 1.6% 0.0109% 1420 999.0 65 23914 0.0915% 575878 575878 4822656 0-0 16: 177 283 249 125 66 281 179 265 194 108 142 63 38 95 75 73 0.783 12.22 37.7 87 95 67 96 281 39.9 37.768 0.061 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6601 993.9 9.8 scans 84% 81 m/z (112) 0.34% 0.0801% 1486 1.9 150 117876 4222179 3887999 4-2 19: 81 110 53 39 79 41 67 68 82 77 65 51 95 91 66 50 54 40 109 0.980 13.22 30.3 93 96 96 99 110 44.0 8.574 -0.562 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1016 Limonene 13.8927 1027.0 8.2 scans 61% TIC 1.3% 0.0244% 1695 1.1 107 29094 1290250 1227144 1-1 0.834 13.89 51.7 90 99 85 98 136 21.9 4.201 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1147 1033.0 >26 scans 71% TIC 0.59% 0.101% 1733 2.2 142 67018 5331563 5189477 1-2 0.948 14.11 54.0 92 100 95 100 108 64.3 20.391 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4376 1041.8 12.7 scans 81% TIC 0.19% 0.106% 1787 2.0 169 210178 5629056 4934905 3-3 0.906 14.44 57.0 90 100 96 100 120 54.8 10.524 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1678 1061.5 >14 scans 90% TIC 0.081% 0.305% 1911 1.3 304 492059 0.476% 16096962 15078504 25088352 2-0 0.990 15.17 64.1 90 100 99 100 123 107.2 12.402 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN 98-86-2 Acetophenone 15.2564 1063.9 >11 scans 76% 105 m/z 0.12% 0.172% 1926 1.5 242 312545 9100714 8001232 1-3 20: 105 77 120 51 43 78 50 106 74 63 65 62 75 76 52 89 91 107 86 73 0.983 15.29 -181.8 80 99 98 99 120 82.5 11.591 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4222 1068.4 8.9 scans 72% 95 m/z 0.21% 0.122% 1954 1.5 213 186833 6450197 5723685 2-2 19: 95 81 124 43 79 53 39 41 82 65 66 96 109 55 67 51 80 125 63 0.923 15.43 66.7 87 99 92 100 124 63.3 8.824 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1002 Undecane 16.6029 1100.7 8.0 scans 57% 57 m/z 1.6% 0.0163% 2154 1.2 85 23920 860561 793595 1-1 18: 57 43 71 41 85 56 70 55 99 156 93 42 111 98 69 84 68 154 0.777 16.59 0.7 94 99 85 97 156 12.2 2.047 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1016 Nonanal 16.7735 1107.9 8.2 scans 83% TIC 0.40% 0.120% 2183 1.0 229 99762 0.137% 6346804 5707688 7220807 0-7 0.965 16.82 85.5 81 97 95 97 124 12.1 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9577 1115.7 9.0 scans 69% 71 m/z 0.36% 0.0865% 2214 1.3 181 109603 4559975 4254079 1-5 19: 71 95 43 110 58 128 41 55 85 84 69 57 72 86 70 119 68 42 56 0.919 16.97 91.0 80 99 95 98 128 45.1 6.217 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1074 Benzeneethanol 17.0817 1120.9 11.0 scans 72% 91 m/z 0.23% 0.0839% 2235 0.8 168 173182 4423649 4099994 2-3 19: 91 92 122 65 89 63 93 62 77 51 78 103 39 123 104 105 50 52 74 0.956 17.05 94.9 81 99 94 99 122 57.6 11.811 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1006 Contamination 18.13min 18.0752 1162.9 8.9 scans 79% TIC 0.36% 0.0709% 2403 1.6 169 109764 3740701 3547237 2-2 0.903 18.13 -168.8 80 99 87 99 355 74.7 19.575 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3261 1173.5 9.6 scans 11% 281 m/z (152) 12% 0.00147% 2446 2.4 22 3263 77645 77190 0-1 4: 281 282 140 283 0.371 12.25 20.4 77 91 34 89 281 14.8 44.251 6.075 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN M4942-N1002 ? Pyranone 18.4264 1177.7 11.4 scans 76% 144 m/z 0.60% 0.0692% 2463 0.9 147 66469 3647400 3420555 3-2 18: 144 43 101 72 73 55 45 115 145 39 71 53 69 146 67 54 68 66 0.934 20.04 -212.8 78 98 91 97 144 64.7 19.416 -1.616 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7009 1189.3 8.5 scans 60% 98 m/z 2.0% 0.0243% 2510 1.1 104 20041 1285022 1198925 1-2 20: 98 55 69 111 82 43 41 67 95 97 70 54 110 39 107 80 83 53 93 79 0.818 18.71 138.5 76 99 84 98 153 5.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8261 1194.6 8.5 scans 50% 70 m/z 2.1% 0.0217% 2531 1.1 95 18737 1144738 1039927 1-3 20: 70 55 43 83 41 69 57 39 84 56 96 42 93 54 67 97 98 68 111 71 0.682 18.83 141.9 72 99 73 98 122 8.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1230 1207.1 8.0 scans 48% 82 m/z 1.5% 0.00997% 2581 1.1 68 25191 525737 476671 1-2 7: 82 81 54 53 83 69 98 0.818 19.12 150.0 76 100 84 98 97 10.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2446 1212.3 9.3 scans 8.7% 119 m/z (87) 6.5% 0.00301% 2602 1.2 31 6151 159097 144125 3-0 3: 119 91 134 0.820 13.76 12.8 77 87 62 85 134 12.0 15.409 5.488 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 19.6248 1228.3 22.8 scans 55% TIC 1.7% 0.0556% 2666 1.0 110 23120 2933648 2632539 2-1 0.724 22.03 -80.8 78 98 89 97 175 0.0 0.000 -2.409 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1012 ?? Nicotine 19.6927 1231.2 8.8 scans 2.2% 133 m/z 8.0% 0.000748% 2677 1.9 18 5008 39429 34452 1-1 3: 133 103 105 0.561 25.78 75.9 62 100 100 100 162 0.0 0.000 -6.085 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8019 1235.8 11.0 scans 84% 57 m/z 0.17% 0.199% 2696 1.0 254 226529 10521254 9578468 1-5 20: 57 45 41 75 87 56 89 101 100 59 43 85 71 58 44 60 73 55 72 62 0.975 19.81 168.3 78 97 93 100 144 5.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3102 1257.3 10.0 scans 34% 57 m/z (91) 4.2% 0.00762% 2782 1.2 49 9382 401787 354820 2-4 10: 57 71 85 43 41 70 170 56 84 99 0.770 20.32 -0.4 89 98 81 94 170 6.9 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1034 ? Decanal 20.5227 1263.8 8.1 scans 84% 57 m/z (97) 0.62% 0.114% 2818 1.1 210 64161 6018781 5395772 5-3 20: 57 41 43 55 70 82 71 68 56 83 44 67 81 112 69 96 95 39 84 42 0.987 20.57 -143.2 72 92 95 98 138 10.1 0.229 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5233 1263.8 8.1 scans 84% TIC 0.63% 0.106% 2818 1.1 211 63692 5605430 4955210 5-2 0.942 20.56 185.1 75 94 95 100 128 19.0 0.813 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9932 1277.9 8.9 scans 59% 137 m/z (115) 0.50% 0.107% 2898 1.1 196 79635 5676045 5256385 2-2 19: 137 152 109 123 81 67 91 41 79 119 93 53 55 153 124 92 105 80 68 0.602 21.00 192.6 75 99 61 96 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.0316 1279.1 9.9 scans 73% 94 m/z (152) 0.16% 0.137% 2904 1.1 205 241275 7260132 6533762 3-5 12: 94 138 77 66 51 45 139 50 76 38 62 64 0.945 20.98 194.1 76 96 94 99 152 5.5 0.000 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.3492 1288.6 16.0 scans 16% 65 m/z (128) 6.4% 0.00638% 2958 1.0 36 6268 336246 301918 1-2 7: 65 371 167 153 64 122 105 0.592 20.03 217.9 62 92 74 93 122 19.4 29.167 1.320 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4661 1292.1 7.2 scans 5.0% 369 m/z (82) 12% 0.000703% 2976 1.1 19 3240 37055 37055 0-0 4: 369 370 283 265 0.227 21.56 -146.6 62 95 22 91 369 9.0 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0056 1308.3 8.1 scans 14% 175 m/z (138) 1.3% 0.00762% 3069 1.1 55 28980 401781 360711 5-3 9: 175 190 119 128 159 145 131 116 191 0.751 22.01 207.9 72 97 64 97 190 17.3 9.877 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9017 1335.2 9.3 scans 67% 69 m/z (57) 0.37% 0.0978% 3221 1.2 177 107564 5159780 4679824 2-3 10: 69 43 109 86 110 128 127 67 95 59 0.946 22.91 221.6 72 97 90 96 127 25.5 2.079 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1016 ?? Nicotine 23.8870 1364.8 12.7 scans 45% 60 m/z (44) 1.3% 0.0520% 3388 1.2 114 30186 2744288 2480450 5-1 14: 60 110 115 67 166 87 98 101 158 181 150 74 96 52 0.787 25.35 215.6 64 88 80 95 162 0.0 0.000 -1.467 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.0966 1371.8 7.6 scans 82% TIC 0.098% 0.286% 3423 0.8 348 408376 15091653 13591100 5-2 0.945 24.17 -152.0 80 99 93 99 429 105.9 9.262 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.5735 1387.8 8.4 scans 47% 71 m/z (137) 1.4% 0.0273% 3505 1.3 99 27283 0.0336% 1438955 1306188 1770942 2-0 14: 71 57 85 43 41 70 99 127 84 169 56 67 113 72 0.851 23.86 23.8 73 81 85 80 184 0.0 0.000 0.712 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1048 Glycerol 1,2-diacetate 25.2253 1409.5 7.2 scans 52% 43 m/z 0.48% 0.0218% 3614 1.1 102 82455 1151523 1108976 2-1 11: 43 103 145 116 115 86 73 74 44 61 146 0.816 25.24 -150.4 80 99 98 100 145 36.1 12.469 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1004 Nicotine 25.5376 1420.0 >22 scans 96% TIC 0.0053% 14.6% 3668 0.1 1593 7547939 771897113 763884147 0-1 0.999 25.89 263.0 80 99 99 99 162 454.0 8.124 -0.354 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1080 ?? Solanone 25.7772 1428.0 7.6 scans 24% 93 m/z (159) 2.4% 0.0130% 3708 1.1 74 16245 688193 617048 2-3 9: 93 121 136 71 94 99 125 70 154 0.812 25.78 272.7 69 97 82 95 194 10.5 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0996 1472.1 6.6 scans 53% 221 m/z 1.1% 0.0194% 3932 1.0 100 34550 1023975 986799 2-1 20: 221 73 147 281 222 267 355 148 149 443 207 74 224 223 357 249 205 265 283 444 0.833 27.12 297.2 77 98 81 96 355 20.6 4.197 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1657 1474.4 8.0 scans 71% 57 m/z 0.44% 0.0574% 3943 1.2 162 90344 0.0848% 3029351 2918301 4469521 1-0 20: 57 71 43 85 41 55 99 56 70 98 112 42 84 126 113 69 127 72 83 141 0.949 27.21 -1.4 97 97 92 96 198 19.9 1.508 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9361 1503.1 11.2 scans 63% 118 m/z 0.42% 0.0725% 4074 1.6 153 94746 3824606 3480608 1-3 20: 118 146 145 78 105 51 58 119 147 104 117 64 65 50 63 90 42 62 77 76 0.927 27.93 316.4 79 98 88 98 146 70.6 21.236 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3847 1520.0 8.6 scans 13% 171 m/z (71) 3.0% 0.00502% 4150 0.8 44 13009 264571 251369 1-1 1: 171 0.547 28.39 326.6 63 97 70 94 171 22.8 27.452 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6580 1530.3 8.0 scans 86% 43 m/z (166) 0.074% 0.442% 4196 0.9 418 541854 23318291 21249160 8-9 20: 43 69 41 151 136 107 125 67 93 109 53 83 121 81 39 68 79 108 55 77 0.993 28.67 332.9 78 99 99 100 194 26.6 0.405 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0902 1546.5 7.4 scans 77% 71 m/z (130) 0.19% 0.221% 4269 1.2 310 207777 0.262% 11650985 11275309 13809135 1-0 20: 71 57 43 85 41 70 55 177 141 56 113 99 112 220 84 97 183 69 149 42 0.985 29.09 342.8 76 98 97 98 220 38.6 1.545 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5117 1562.4 7.6 scans 73% 73 m/z 0.060% 0.553% 4341 1.0 493 660415 29181542 27535182 2-2 20: 73 281 147 327 282 415 341 503 283 399 328 221 148 504 416 74 329 325 342 505 0.973 29.61 -150.7 79 99 96 99 503 83.9 2.889 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1022 ? Nicotyrine 29.6409 1567.2 11.6 scans 58% 158 m/z (177) 0.027% 1.15% 4363 0.8 569 1482157 60795475 56792521 2-3 20: 158 157 130 116 117 89 90 78 104 143 142 42 63 62 156 50 76 52 64 75 0.953 29.68 354.6 78 100 97 100 158 314.4 30.502 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7614 1571.8 8.3 scans 78% TIC 0.030% 0.430% 4383 1.3 423 1301539 22696505 20478036 1-2 0.914 29.77 357.8 79 99 92 99 193 36.4 0.741 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9385 1578.4 9.8 scans 72% TIC 0.19% 0.179% 4413 1.0 257 201379 9436201 8870584 1-1 0.903 29.94 362.0 77 98 90 96 254 7.2 0.078 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 30.1652 1586.9 7.5 scans 56% 57 m/z (163) 0.69% 0.0573% 4451 1.3 156 57662 0.0838% 3021590 2886855 4416815 1-0 20: 57 85 71 43 99 41 55 113 56 84 127 70 69 155 183 141 72 83 140 86 0.887 30.38 -8.0 77 79 91 83 212 1.9 0.000 -0.212 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4940 1599.8 7.9 scans 86% 191 m/z 0.032% 0.421% 4507 1.0 429 1239626 22206311 20712274 2-2 20: 191 206 192 57 163 74 175 115 91 41 107 207 88 77 73 161 147 133 105 117 0.974 30.50 375.0 80 100 97 100 206 114.9 7.188 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8187 1613.5 8.4 scans 43% 124 m/z (71) 0.69% 0.0476% 4562 1.1 135 58082 2510574 2301302 2-5 7: 124 137 180 125 138 54 181 0.968 30.81 384.1 72 94 92 96 180 34.9 6.728 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8671 1615.5 9.5 scans 54% 162 m/z 0.22% 0.115% 4571 1.2 205 182440 6088977 5616626 2-2 20: 162 147 161 163 77 58 115 119 103 145 133 131 104 65 118 63 89 50 66 120 0.794 30.88 -0.5 84 86 55 84 204 17.6 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9338 1618.3 8.9 scans 12% 172 m/z (106) 2.3% 0.00759% 4582 1.0 51 17423 0.00942% 400376 373795 496496 3-0 4: 172 171 130 156 0.891 30.93 0.3 88 93 81 94 171 34.1 44.304 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2171 1630.2 10.4 scans 80% 111 m/z 0.050% 0.789% 4629 0.5 507 788630 41598895 38123989 3-2 20: 111 109 137 67 180 110 43 124 152 95 79 77 39 41 81 112 69 91 53 93 0.930 31.18 395.2 77 97 93 98 180 114.2 5.075 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5046 1642.3 9.8 scans 58% 43 m/z (185) 0.81% 0.0532% 4679 1.3 131 48989 2807983 2526938 2-1 20: 43 98 85 111 57 166 127 99 55 86 41 84 183 151 68 167 69 126 67 39 0.947 31.52 -0.4 87 91 89 92 166 22.3 2.892 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7844 1654.0 9.1 scans 13% 193 m/z (93) 1.3% 0.0155% 4726 0.9 74 29205 818780 770147 2-3 5: 193 175 208 194 176 0.758 31.80 -0.5 61 68 18 74 208 15.9 4.614 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9149 1659.5 8.3 scans 51% 83 m/z (143) 1.5% 0.0423% 4748 0.7 121 25718 2233980 2080500 3-0 12: 83 71 57 85 55 210 183 70 111 155 127 114 0.959 31.92 -0.2 79 83 92 86 219 2.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0524 1665.3 6.8 scans 31% 221 m/z 0.99% 0.0211% 4772 1.1 102 40469 1116775 1026060 3-2 19: 221 73 147 222 295 207 355 223 267 297 208 281 356 342 148 339 74 183 357 0.857 32.08 -1.1 96 97 83 96 355 18.3 3.250 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2278 1672.7 8.4 scans 70% 57 m/z (157) 0.50% 0.0964% 4801 1.5 186 80083 5083037 4787617 1-2 20: 57 149 105 43 71 85 77 41 100 99 56 123 183 182 113 55 141 98 137 72 0.950 32.24 -0.4 74 77 80 85 226 6.4 0.120 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4362 1681.4 9.6 scans 49% 57 m/z (69) 0.99% 0.0526% 4836 0.9 128 40472 0.0641% 2776707 2394285 3378494 2-2 17: 57 71 197 43 56 41 196 55 99 113 198 135 70 111 42 72 141 0.885 32.44 -0.3 84 93 87 92 226 4.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5737 1687.2 >11 scans 22% TIC 1.4% 0.00663% 4859 1.4 76 27695 349683 349683 0-0 0.548 24.54 549.9 64 93 54 90 169 13.5 3.162 8.032 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6658 1691.1 8.6 scans 74% 205 m/z (157) 0.90% 0.163% 4875 0.9 243 44590 8623497 7813069 10-2 20: 205 91 119 105 43 159 93 79 107 162 147 77 131 41 187 106 121 145 133 67 0.978 32.67 -0.4 94 96 94 98 220 14.7 0.364 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9309 1702.2 7.7 scans 69% 71 m/z 0.080% 0.152% 4920 0.8 258 496508 8026610 7303046 7-2 15: 71 43 159 111 56 243 72 155 173 143 98 89 73 126 244 0.931 32.93 -0.1 94 95 89 98 243 40.6 2.473 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0731 1708.2 7.8 scans 29% 97 m/z (91) 4.5% 0.0141% 4946 0.9 80 8763 743513 729720 1-0 14: 97 82 98 180 96 54 68 154 168 67 181 86 151 152 0.835 33.09 -0.5 83 93 92 96 224 5.4 0.455 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3033 1717.9 7.3 scans 72% 57 m/z (121) 0.34% 0.0908% 4983 0.9 198 116708 4789019 4467663 4-1 19: 57 71 85 43 41 55 56 99 70 226 113 84 112 42 98 141 83 140 72 0.968 33.37 -2.9 94 97 97 98 226 22.9 1.339 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8931 1728.2 7.4 scans 26% 71 m/z 1.9% 0.00851% 5083 0.9 78 20550 449019 405201 1-0 18: 71 57 43 85 70 113 197 99 198 127 41 56 55 72 124 42 140 54 0.749 33.90 -0.1 86 91 72 87 197 17.4 4.979 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2715 1733.7 7.1 scans 13% 57 m/z (185) 3.2% 0.00627% 5147 0.8 56 12455 330448 330448 0-0 19: 57 220 71 85 162 93 182 210 134 41 69 98 211 141 91 204 121 95 78 0.782 34.27 0.1 64 73 58 76 211 11.3 4.051 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3949 1735.4 14.7 scans 94% 281 m/z 0.0078% 9.02% 5168 0.5 1480 5128175 475554331 467863773 2-1 20: 281 356 357 222 402 283 74 223 282 327 267 191 75 269 383 224 249 329 205 251 0.971 34.39 452.4 80 99 96 99 415 177.5 1.440 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8477 1741.9 17.5 scans 92% 91 m/z 0.021% 2.13% 5245 0.2 683 1901266 112315751 109171676 0-1 20: 91 155 199 90 65 184 92 89 44 63 137 106 39 77 200 64 51 156 134 109 0.996 34.79 452.9 80 100 99 99 199 193.1 7.989 0.062 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 34.9020 1742.7 7.7 scans 20% 68 m/z (176) 1.8% 0.0214% 5254 1.2 93 21223 1129707 1056819 2-2 2: 68 224 0.672 34.90 -0.0 77 89 69 91 224 13.1 1.995 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1042 ? Phytol 35.3500 1749.1 8.3 scans 67% 71 m/z (58) 0.52% 0.146% 5329 0.8 234 76228 7736238 6858048 5-1 20: 71 43 69 55 41 56 70 95 126 81 111 83 82 96 67 97 137 109 99 112 0.982 35.35 451.7 75 97 98 99 196 26.2 1.262 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6877 1753.9 8.9 scans 35% 123 m/z (113) 0.71% 0.0433% 5387 1.3 121 55941 2282686 2018044 3-4 7: 123 193 175 165 194 196 181 0.900 35.70 451.2 70 94 80 94 224 10.0 0.682 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9345 1757.4 9.0 scans 61% 91 m/z (85) 0.29% 0.153% 5429 1.1 235 134012 8088085 7639172 1-4 16: 91 155 184 65 159 92 148 97 199 44 220 105 93 89 119 39 0.905 35.94 451.0 73 97 86 96 238 5.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1989 1775.5 8.3 scans 13% 209 m/z (85) 2.4% 0.0102% 5643 1.0 65 16197 540571 502370 3-2 12: 209 224 119 210 165 167 166 178 179 225 176 194 0.743 37.20 449.2 64 87 68 96 224 20.0 9.597 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.2958 1776.9 9.6 scans 54% 71 m/z (220) 0.83% 0.0716% 5659 1.2 150 48336 0.0992% 3778936 3440270 5228497 0-6 20: 71 85 43 99 113 127 84 69 55 83 111 141 155 56 42 70 126 91 125 140 0.948 38.91 -23.1 78 84 93 83 254 1.8 0.000 -1.614 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.5 scans 59% 57 m/z (211) 0.58% 0.0696% 5788 1.1 163 68887 3670676 3477714 2-1 18: 57 71 85 43 56 41 225 99 55 224 113 127 69 70 84 141 157 155 0.929 38.06 448.1 73 98 96 98 225 29.6 3.317 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5868 1795.4 14.0 scans 85% TIC 0.0098% 5.50% 5878 0.3 1361 4087648 7.22% 289960889 272336074 380541806 2-0 0.999 38.59 447.3 80 99 98 99 429 414.7 9.303 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.6021 1795.6 13.8 scans 60% 73 m/z (429) 0.014% 5.25% 5881 0.3 1142 2784731 277150530 258437425 2-2 20: 73 221 147 207 281 148 265 131 343 133 149 205 296 59 326 328 323 266 85 192 0.967 32.10 546.8 64 87 90 87 355 277.8 5.916 6.500 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4505 1867.0 8.0 scans 68% 74 m/z (123) 0.32% 0.0993% 6024 1.1 199 122532 5234730 4853693 2-3 17: 74 87 43 143 55 75 213 41 256 171 199 59 88 129 101 227 102 0.959 39.45 505.5 71 93 90 97 256 28.4 2.030 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8602 1917.8 16.1 scans 96% 95 m/z 0.015% 9.89% 6094 0.2 1510 2640520 521649803 496373088 0-10 20: 95 82 123 67 55 43 41 71 79 56 85 53 94 39 42 77 98 151 152 54 0.999 39.94 548.7 81 100 100 100 278 94.1 0.388 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9257 1925.9 6.1 scans 66% 58 m/z (238) 0.36% 0.117% 6105 1.1 248 111115 6209607 5745858 0-6 11: 58 43 71 59 109 110 95 124 250 56 165 0.977 39.88 557.6 74 96 97 97 250 26.1 1.107 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3242 1975.3 8.2 scans 72% TIC 0.064% 0.160% 6172 1.0 267 623669 0.188% 8469896 7754258 9908845 4-0 0.954 40.31 600.4 79 99 94 98 223 57.0 4.550 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N406_R~1-N1110 ? Phytol 40.3914 1983.7 8.7 scans 25% 81 m/z (355) 1.6% 0.0327% 6184 1.1 101 24197 0.0387% 1728419 1560610 2039746 4-0 13: 81 82 123 68 124 79 96 109 110 278 80 279 53 0.801 40.66 -33.5 70 83 59 80 278 14.0 1.916 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6099 2010.8 6.8 scans 31% 221 m/z (109) 1.6% 0.0165% 6220 1.1 88 24456 873350 814575 2-4 16: 221 73 147 295 281 222 207 223 282 148 415 341 296 370 369 74 0.814 40.63 630.7 72 99 86 98 369 15.1 2.922 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.6099 2010.8 6.8 scans 32% 221 m/z (109 82) 1.6% 0.0168% 6220 1.1 89 24262 889834 829950 2-4 16: 221 73 147 295 281 222 207 223 282 148 415 341 296 370 369 74 0.814 44.32 563.5 70 98 92 98 369 15.2 2.903 -3.710 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1254 Phytol 40.8436 2039.7 8.4 scans 42% 82 m/z (180) 1.9% 0.0450% 6261 1.8 126 21114 2375314 2163687 3-3 16: 82 81 95 123 79 67 53 109 124 96 99 355 138 137 179 110 0.887 40.87 -3.0 86 95 87 95 278 16.5 1.729 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BQLD_R~1-N1056 ?? Homosalate 40.9995 2059.1 8.4 scans 35% 120 m/z (230) 1.7% 0.0326% 6287 1.2 110 23513 1719442 1581557 2-1 10: 120 109 138 121 65 139 149 132 262 104 0.765 41.00 673.3 63 83 81 99 262 12.9 1.357 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N407_R~1-N1144 ? Sclareoloxide 41.1069 2072.4 9.4 scans 32% 262 m/z (219) 2.0% 0.0489% 6305 0.9 132 19873 2578592 2402958 1-1 13: 262 109 191 150 229 79 121 107 136 94 122 192 189 0.790 41.13 684.6 74 99 80 97 262 26.9 4.167 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2439 2089.4 8.1 scans 81% 79 m/z (239) 0.31% 0.206% 6328 1.0 289 129525 10862607 10413154 1-1 20: 79 67 93 95 80 91 55 108 41 81 121 77 94 107 135 59 87 78 105 122 0.981 41.26 -1.6 96 98 98 100 264 20.0 0.481 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4322 2112.7 7.7 scans 54% 205 m/z (166) 0.78% 0.101% 6360 1.0 204 51454 5340840 4990134 2-3 18: 205 217 175 189 220 177 232 261 91 191 192 203 176 206 161 77 163 219 0.928 41.49 -83.9 81 99 90 99 276 13.7 0.447 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6335 2127.4 10.1 scans 48% 69 m/z (43 187) 0.40% 0.0944% 6394 0.9 174 98204 4978721 4595418 3-2 16: 69 93 81 41 95 79 53 121 161 127 109 68 82 92 39 155 0.940 41.75 729.9 68 96 90 94 272 6.0 0.000 -0.116 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0326 2149.9 9.2 scans 96% 74 m/z 0.011% 3.24% 6462 0.5 1100 3512687 171141777 165265014 2-1 20: 74 87 143 43 55 270 41 69 57 239 129 83 59 97 171 101 71 84 42 115 0.997 42.01 747.9 80 99 99 99 272 27.1 0.061 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1813 2158.2 9.3 scans 18% 93 m/z (57) 9.5% 0.0103% 6486 0.7 61 4212 545727 545727 0-0 15: 93 123 175 81 162 159 95 133 134 272 161 91 119 122 98 0.671 42.05 7.6 74 82 51 82 272 6.7 0.000 0.136 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3130 2165.6 9.5 scans 91% 73 m/z 0.038% 1.13% 6509 1.2 631 1046328 59634895 55384605 2-3 20: 73 147 281 221 355 429 207 341 282 430 283 222 356 504 415 74 295 431 505 357 0.985 42.37 756.6 74 91 94 99 503 105.3 2.784 -0.055 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1607 2213.2 7.9 scans 6.9% 187 m/z (57) 8.9% 0.00352% 6653 1.0 39 4483 185960 168920 2-2 4: 187 161 134 272 0.456 43.24 -4.2 80 96 51 92 272 10.7 7.511 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN N419_R~1-N1158 ? Manool oxide 44.2758 2276.3 8.2 scans 29% 257 m/z (369) 6.7% 0.0107% 6842 0.8 64 5978 566274 522432 1-1 11: 257 137 275 258 177 135 123 191 161 192 297 0.782 43.83 838.7 70 96 73 94 275 19.4 9.167 0.449 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1234 Thunbergol 45.1625 2327.3 8.3 scans 83% 137 m/z 0.67% 0.163% 6992 1.0 259 59366 8639653 8016244 2-4 20: 137 81 95 93 69 71 257 123 109 107 55 121 41 79 43 67 91 80 94 105 0.929 44.90 15.1 83 84 83 83 272 18.5 0.510 0.262 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7930 2363.6 8.0 scans 74% 73 m/z (57) 0.45% 0.0744% 7099 1.0 173 88960 3926244 3643130 2-2 20: 73 355 147 221 281 356 207 429 282 341 222 148 295 265 415 430 223 283 357 325 0.908 45.78 1.0 96 98 89 97 503 16.9 0.954 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1026 ?? Methyl stearate 45.9223 2371.0 17.6 scans 29% 74 m/z (67) 1.0% 0.0245% 7121 1.1 93 37355 0.0394% 1293180 1258206 2076641 2-0 14: 74 87 255 143 185 213 199 298 241 130 256 186 269 227 0.767 45.92 892.3 69 95 70 93 298 18.1 3.731 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1153 2382.1 7.9 scans 92% 79 m/z 0.052% 1.15% 7153 0.8 703 761820 61130509 57453410 2-4 20: 79 67 95 93 108 80 81 55 41 91 107 94 77 121 135 69 109 59 78 149 0.978 46.13 -1.1 96 95 97 99 292 51.6 0.538 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN HCMIX_~1-N1022 ?? Henicosane 46.1785 2385.7 >9 scans 14% 85 m/z (79) 3.7% 0.00844% 7164 2.1 54 10650 0.0455% 444968 415034 2398151 0-1 11: 85 71 58 57 113 112 43 155 294 154 197 0.545 46.28 -6.0 64 86 63 79 296 5.6 0.000 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7605 2419.2 8.1 scans 74% 74 m/z (228) 0.50% 0.0631% 7263 1.0 160 79608 3328949 3105720 2-3 18: 74 87 43 75 143 55 255 41 69 57 129 59 97 101 267 298 199 241 0.954 46.76 924.1 77 99 96 99 298 28.0 3.077 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9459 2545.0 8.4 scans 64% 221 m/z 1.3% 0.0226% 7632 1.4 93 29042 1195989 1111001 2-7 20: 221 341 357 207 415 281 282 401 327 74 339 358 265 191 205 75 325 296 416 297 0.804 51.86 914.1 73 95 78 93 503 7.3 0.627 -2.912 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP3.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6320 2872.2 9.0 scans 39% 73 m/z (71) 4.6% 0.00670% 8596 1.4 46 8579 353501 317166 2-6 18: 73 295 221 431 369 281 223 282 222 74 504 357 148 429 283 341 503 401 0.625 45.81 1395.7 66 96 67 92 503 7.5 0.000 8.820 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1013 771.0 >24 scans 55% 77 m/z 0.20% 0.100% 37 2.6 130 199874 4968068 4689963 1-1 8: 77 45 78 76 79 59 92 75 0.982 4.37 17.0 100 99 97 99 77 113.6 75.802 -0.270 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1014 Contamination 6.52min 6.5961 836.0 23.9 scans 73% TIC 0.43% 0.0465% 459 2.0 105 95331 0.0539% 2311230 2232676 2677333 1-0 0.908 6.53 -140.8 80 100 89 99 207 78.4 55.960 0.068 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6870 864.4 10.2 scans 91% 55 m/z 0.20% 0.318% 644 1.4 332 207741 0.508% 15820541 15209799 25233493 1-0 20: 55 69 41 83 39 42 57 98 70 97 43 56 80 53 79 40 54 68 51 38 0.985 7.71 9.1 100 100 98 100 98 67.4 4.116 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.2632 983.5 >7 scans 30% 94 m/z (103) 1.0% 0.0233% 1419 9.9 100 41143 0.0666% 1159991 1016820 3308171 0-4 15: 94 65 205 177 203 125 266 64 165 66 191 128 207 61 208 0.367 12.22 37.2 85 92 51 98 281 51.5 26.469 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1022 ?? Octanal 12.9398 1001.2 17.8 scans 56% TIC 1.6% 0.0331% 1534 0.9 118 25611 0.0577% 1644964 1502994 2866088 3-0 0.804 12.96 -173.6 64 89 76 88 110 15.6 1.744 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2485 1009.5 15.3 scans 79% TIC 0.12% 0.260% 1586 2.1 233 328366 12918475 11551481 3-2 0.954 13.22 45.9 92 98 96 98 110 63.4 7.396 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1016 Limonene 13.9114 1027.5 8.3 scans 81% 68 m/z 0.31% 0.157% 1698 1.3 236 131326 7811725 6962148 2-5 19: 68 93 67 79 94 121 136 92 107 91 77 53 39 41 81 80 95 108 65 0.923 13.89 52.2 90 99 96 99 136 46.3 3.856 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1576 1034.2 20.2 scans 83% 79 m/z 0.15% 0.473% 1740 0.7 280 264363 23503096 21958212 1-3 20: 79 108 107 77 51 91 78 50 39 90 74 105 89 65 38 63 61 53 80 54 0.979 14.11 55.2 92 100 98 100 108 124.3 19.637 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4569 1042.3 11.0 scans 84% TIC 0.087% 0.242% 1791 1.2 251 476696 12057127 11597451 0-3 0.974 14.44 57.5 91 100 97 100 120 81.1 10.445 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0171 1057.5 8.6 scans 43% 70 m/z (82 85) 4.0% 0.0138% 1885 1.6 67 10282 688726 600144 0-4 16: 70 55 83 41 93 69 57 67 97 68 42 56 53 84 98 81 0.904 18.83 4.8 76 84 81 87 122 3.3 0.000 -3.813 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1871 1062.1 >14 scans 82% 105 m/z 0.10% 0.282% 1914 1.2 268 398821 0.442% 14027683 13478968 21955126 2-0 19: 105 77 123 51 46 106 50 78 124 74 79 76 53 52 75 80 49 38 93 0.953 15.17 64.7 89 100 98 100 123 94.5 12.402 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN 98-86-2 ? Acetophenone 15.2692 1064.3 >13 scans 73% TIC 0.13% 0.175% 1928 1.4 234 303824 0.333% 8696852 8181474 16540853 0-2 0.968 15.29 -181.4 79 98 97 99 120 72.2 9.536 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4386 1068.9 9.6 scans 78% 95 m/z (57) 0.12% 0.309% 1957 1.8 288 325189 15358592 13701361 2-3 16: 95 81 124 79 43 109 53 39 82 65 96 66 67 51 125 63 0.915 15.43 67.2 86 99 97 100 124 83.5 8.414 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1002 Undecane 16.6116 1101.0 8.3 scans 58% 57 m/z 0.98% 0.0293% 2156 1.2 110 42375 1456072 1335665 2-2 19: 57 43 71 56 41 85 55 70 84 39 156 111 42 98 69 99 83 157 67 0.799 16.59 1.0 95 98 83 96 156 14.9 1.848 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1016 Nonanal 16.7869 1108.4 8.6 scans 91% TIC 0.12% 0.524% 2185 1.1 417 338811 0.554% 26055202 23630787 27518416 0-3 0.980 16.82 86.0 81 98 97 98 124 25.4 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1072 Cyclohexanol, 1,3-dimethyl- 16.9652 1116.0 8.8 scans 79% 71 m/z 0.22% 0.165% 2216 1.3 241 187944 8234593 7585662 1-6 20: 71 95 43 58 110 128 41 85 55 84 57 69 72 70 39 68 96 111 56 42 0.961 16.97 91.3 81 99 96 99 128 58.9 6.001 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0821 1120.9 12.2 scans 87% TIC 0.099% 0.254% 2235 1.0 263 418480 12618998 11584100 0-4 0.977 17.05 94.9 81 99 97 100 122 87.9 11.190 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0804 1163.1 8.1 scans 77% 73 m/z 0.30% 0.0954% 2404 1.3 186 138090 4742111 4330805 2-3 20: 73 355 267 356 268 357 269 193 74 249 154 125 75 223 179 323 45 59 253 325 0.908 18.13 -168.6 79 99 87 99 355 81.9 19.390 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7079 1189.6 8.3 scans 60% 98 m/z 1.3% 0.0413% 2511 1.1 133 31922 2051633 1949582 1-1 20: 98 55 69 111 82 43 41 67 125 39 97 70 95 107 83 93 91 71 53 79 0.854 18.71 138.8 77 99 86 98 153 6.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1241 1207.2 8.0 scans 47% 82 m/z 1.0% 0.0140% 2581 1.0 82 39095 699322 635729 0-2 10: 82 81 54 43 39 53 41 42 111 38 0.841 19.12 150.1 77 100 85 99 97 11.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.2527 1212.6 10.6 scans 8.9% 119 m/z (83) 4.2% 0.00535% 2603 1.2 39 9746 265811 251528 3-0 4: 119 91 134 63 0.777 13.76 13.1 74 80 63 79 134 15.6 15.999 5.496 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8041 1235.9 10.8 scans 89% TIC 0.10% 0.369% 2696 0.9 326 381579 18373000 16459602 7-5 0.978 19.81 168.4 78 96 94 100 144 7.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1004 Dodecane 20.3212 1257.7 11.1 scans 46% 57 m/z (83) 2.1% 0.0188% 2784 1.0 71 19208 938767 841565 3-2 12: 57 85 41 97 170 56 84 70 99 127 58 98 0.873 20.32 0.0 90 95 85 93 170 9.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5285 1264.0 8.3 scans 90% 57 m/z 0.27% 0.296% 2819 1.1 331 151558 14709574 13397621 4-3 20: 57 41 43 55 70 82 71 68 83 56 44 67 81 112 69 95 96 42 39 84 0.985 16.82 -27.4 70 72 84 74 124 2.4 0.000 3.713 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9948 1278.0 8.8 scans 64% 137 m/z (71) 0.27% 0.219% 2898 1.1 270 148875 10882185 10052550 2-1 20: 137 152 123 109 81 67 91 79 41 93 39 55 53 119 43 153 124 110 69 105 0.730 21.00 192.7 74 99 64 96 155 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.0001 1278.1 10.1 scans 9.4% TIC 0.86% 0.0349% 2899 1.2 105 48337 1734501 1623932 2-1 0.121 32.87 17.8 62 67 16 63 206 0.0 0.000 -11.873 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0214 1278.7 10.4 scans 35% 94 m/z (137) 0.18% 0.117% 2902 1.0 181 218970 5823350 5433100 2-2 8: 94 138 51 45 38 62 75 126 0.908 20.98 193.7 75 99 91 98 152 8.5 0.000 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1030 ?? Contamination 21.50min 21.4470 1291.5 6.2 scans 15% 281 m/z (84) 9.2% 0.00214% 2975 1.2 32 4510 106669 97791 1-0 5: 281 73 282 369 285 0.703 21.50 198.7 65 92 67 90 369 8.1 6.301 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4470 1291.5 6.2 scans 9.0% 281 m/z 8.8% 0.00106% 2975 1.2 24 4683 52931 48525 1-0 5: 281 73 282 369 285 0.440 21.56 -147.2 63 95 42 92 369 9.0 13.628 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.5574 1294.8 9.3 scans 27% 281 m/z (95) 1.7% 0.00860% 2994 1.3 51 23263 427647 396326 1-4 12: 281 282 283 249 207 265 266 285 223 251 209 194 0.669 12.25 141.7 73 97 65 96 281 38.7 56.761 9.306 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9022 1335.2 10.0 scans 72% 69 m/z (57) 0.23% 0.180% 3221 1.3 222 174001 8969229 8509953 2-2 13: 69 109 43 86 110 128 95 67 59 58 100 281 170 0.960 22.91 221.6 72 96 91 95 127 30.4 1.874 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1002 Contamination 24.17min 24.0958 1371.8 8.2 scans 73% TIC 0.10% 0.302% 3423 0.7 328 381630 15005568 13637572 4-3 0.942 24.17 -152.0 80 99 92 99 429 100.6 9.385 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1006 ? Tridecane 24.5716 1387.7 8.2 scans 72% 71 m/z 0.45% 0.0811% 3504 1.1 177 91269 4031610 3787642 2-1 20: 71 57 85 43 41 70 84 55 127 113 99 155 126 56 42 112 39 72 86 67 0.891 23.86 23.7 79 83 89 82 184 0.0 0.000 0.710 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1032 ?? Dodecane 24.9146 1399.2 12.8 scans 45% 71 m/z 1.2% 0.0324% 3562 1.9 99 33247 1610877 1496946 1-3 15: 71 57 85 43 41 55 84 141 127 113 126 42 129 72 114 0.725 20.36 -1.0 64 75 76 74 170 2.0 0.000 4.557 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2180 1409.3 8.8 scans 38% 43 m/z 0.50% 0.0291% 3613 1.0 102 81891 1449893 1276531 4-2 15: 43 71 57 103 145 85 116 115 86 127 42 73 212 74 61 0.562 25.24 -150.6 61 78 77 99 145 30.1 8.785 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1004 Nicotine 25.5280 1419.6 >23 scans 96% TIC 0.0055% 15.0% 3666 0.1 1543 7555782 746431934 734492749 0-1 0.999 25.89 262.6 80 99 98 99 162 436.4 8.002 -0.364 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4825 1451.5 7.5 scans 29% 189 m/z (73) 3.3% 0.0111% 3827 0.9 65 12375 555440 487785 3-5 11: 189 204 205 103 120 107 115 159 143 148 121 0.747 45.98 -28.2 64 71 45 71 204 25.8 15.622 -19.492 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0941 1472.0 6.7 scans 42% 221 m/z 1.9% 0.0123% 3931 1.1 76 20813 611874 583681 1-2 19: 221 73 147 281 222 267 355 444 357 223 283 268 148 207 74 282 356 265 249 0.857 27.12 297.1 74 96 81 94 355 15.2 3.956 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1679 1474.4 8.0 scans 74% 57 m/z (163) 0.39% 0.0875% 3944 1.1 180 104764 0.134% 4348393 4143480 6656079 1-0 19: 57 71 43 85 41 55 56 70 99 198 83 42 98 69 112 127 113 126 72 0.984 27.21 -1.4 96 98 97 98 198 19.6 1.181 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9306 1502.9 10.6 scans 66% 118 m/z (74) 0.33% 0.129% 4073 2.0 176 123891 6434381 5985187 1-2 20: 118 146 145 105 78 104 51 58 147 76 119 117 63 64 65 90 50 148 39 42 0.971 27.93 316.2 77 99 94 99 146 79.1 20.182 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6567 1530.2 8.2 scans 76% 43 m/z (166) 0.095% 0.391% 4196 0.9 361 434746 19463560 16834826 5-2 20: 43 69 41 151 136 107 125 67 93 109 83 81 121 39 53 68 79 108 77 91 0.952 28.67 332.8 77 99 96 99 194 23.0 0.405 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0924 1546.6 7.8 scans 73% 71 m/z 0.12% 0.293% 4270 1.1 360 345232 0.412% 14562722 13259748 20464959 2-0 20: 71 57 43 85 41 70 55 141 113 56 99 112 84 183 97 69 177 42 140 220 0.939 29.10 342.7 68 90 91 89 227 7.2 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5133 1562.4 7.5 scans 64% 73 m/z 0.099% 0.347% 4341 1.0 378 417964 17280216 15857936 2-2 20: 73 281 147 327 282 415 341 283 399 328 221 416 504 148 503 329 74 325 417 342 0.961 29.61 -150.7 79 99 95 99 503 63.6 2.829 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6408 1567.2 11.7 scans 51% 158 m/z (177) 0.027% 1.20% 4363 0.8 557 1540376 60043620 56049421 2-2 20: 158 157 130 116 89 156 63 90 131 143 142 42 62 80 50 102 76 155 74 75 0.923 29.68 354.6 77 100 92 99 158 315.3 32.054 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7642 1571.9 8.1 scans 72% 123 m/z 0.025% 0.558% 4384 1.0 460 1620739 27720531 24753659 1-4 18: 123 43 135 124 107 91 95 109 79 77 39 97 53 81 93 67 125 105 0.921 29.77 357.9 78 98 91 98 193 38.4 0.698 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9383 1578.4 9.1 scans 78% 71 m/z 0.083% 0.527% 4413 0.7 409 499866 26180007 24289349 1-2 20: 71 85 57 43 99 113 41 69 127 55 84 70 155 56 83 169 86 126 42 111 0.916 29.94 362.0 77 99 94 98 254 10.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1644 1586.9 7.9 scans 64% TIC 0.29% 0.0997% 4451 1.3 228 141317 0.148% 4956177 4549137 7351490 1-0 0.922 30.38 -8.0 83 86 89 86 212 3.6 0.000 -0.213 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4926 1599.8 7.9 scans 80% 191 m/z 0.040% 0.359% 4507 1.0 379 1033147 17876217 16759548 1-8 19: 191 206 192 57 163 74 175 91 115 107 73 207 88 77 147 128 133 105 117 0.963 30.50 375.0 80 99 95 99 206 103.1 7.393 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N406_R~1-N1098 ?? Olivetol 30.8161 1613.4 8.2 scans 28% 124 m/z (71) 1.4% 0.0242% 4562 1.0 92 29523 1205880 1085538 3-8 4: 124 137 180 138 0.926 30.81 384.0 68 92 83 94 180 23.6 6.654 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8811 1616.1 8.4 scans 47% 105 m/z (89) 1.0% 0.0567% 4573 1.0 139 41507 2818903 2510747 1-1 20: 105 106 119 118 204 104 71 165 91 57 133 77 134 148 79 95 145 50 78 51 0.934 30.88 0.1 86 87 74 95 204 12.1 0.751 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9336 1618.3 9.4 scans 10% 171 m/z (118) 2.7% 0.00438% 4581 2.5 49 15317 0.0145% 217973 217973 720247 0-0 7: 171 172 173 130 211 142 170 0.768 30.93 0.3 88 95 80 94 171 31.4 41.019 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2099 1629.9 11.3 scans 70% TIC 0.049% 0.889% 4628 0.6 486 839367 44194685 37725559 3-4 0.811 31.20 394.5 72 94 77 91 180 114.3 5.533 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2117 1630.0 10.4 scans 85% 111 m/z (71) 0.048% 1.01% 4629 0.6 534 854520 50291486 46751561 2-3 20: 111 109 137 180 67 110 43 124 95 152 79 81 39 77 112 165 91 53 93 69 0.975 31.18 395.0 76 96 96 99 180 115.8 4.696 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5039 1642.3 9.4 scans 54% 43 m/z (186) 0.47% 0.0819% 4678 1.4 158 87489 4071528 3635968 2-0 20: 43 98 85 111 166 55 151 127 99 82 84 69 81 83 68 121 39 107 67 123 0.780 31.52 -0.4 89 94 86 94 166 27.0 2.945 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7796 1653.8 8.9 scans 22% 193 m/z (131) 1.0% 0.0183% 4725 1.0 79 38034 912121 865347 2-2 4: 193 139 194 195 0.578 31.80 -0.7 69 77 49 82 208 18.0 5.196 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9124 1659.4 7.6 scans 62% 71 m/z (109) 0.79% 0.0755% 4748 0.6 156 52009 3750813 3269390 2-1 19: 71 57 85 43 83 55 99 82 69 113 41 84 70 56 127 155 112 111 125 0.941 31.92 -0.3 78 83 88 86 219 6.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0529 1665.3 6.9 scans 24% 221 m/z 1.2% 0.0191% 4771 1.0 93 34657 952316 868202 2-1 16: 221 73 147 222 295 207 355 223 341 325 296 148 267 281 74 357 0.800 32.08 -1.1 95 97 82 96 355 17.5 3.543 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2323 1672.9 8.9 scans 69% 57 m/z (142) 0.37% 0.140% 4801 1.5 196 110198 6976246 6398386 1-2 20: 57 43 71 85 41 99 183 55 56 113 182 42 69 70 127 141 211 83 149 97 0.899 32.24 -0.2 86 93 88 94 226 9.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4354 1681.4 12.3 scans 47% 57 m/z (98) 0.83% 0.0765% 4836 0.7 133 49764 3802046 3433119 5-1 20: 57 71 56 197 41 55 70 84 113 99 91 72 127 67 159 121 100 108 39 82 0.798 32.44 -0.3 80 93 80 91 226 4.7 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5617 1686.7 7.9 scans 43% 71 m/z (97) 0.84% 0.0390% 4858 1.1 121 49493 1938465 1866621 1-1 15: 71 57 85 43 99 113 127 169 155 58 141 86 254 142 150 0.903 24.54 549.4 66 93 84 91 169 18.6 2.355 8.020 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6597 1690.8 8.9 scans 59% 205 m/z (163) 2.3% 0.0739% 4874 1.2 153 17890 3673002 3299511 3-5 18: 205 119 91 105 93 79 135 159 107 147 134 177 131 118 146 106 193 145 0.945 32.67 -0.7 92 96 90 96 220 9.7 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8540 1699.0 18.9 scans 18% 201 m/z (149) 1.7% 0.0197% 4907 1.6 77 24435 0.0330% 981395 859238 1639184 10-0 12: 201 55 110 96 67 131 187 141 217 115 168 129 0.687 32.87 -0.5 64 82 62 80 186 5.9 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9272 1702.1 8.0 scans 67% 71 m/z 0.097% 0.138% 4919 1.0 233 425264 6874642 6293380 5-7 14: 71 43 111 159 243 56 72 155 173 143 98 73 126 156 0.928 32.93 -0.2 94 95 87 97 243 36.3 2.434 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0795 1708.5 7.8 scans 41% 83 m/z (161) 3.2% 0.0246% 4946 0.9 97 12948 1223793 1143515 0-1 20: 83 97 55 69 85 43 70 56 41 84 112 139 125 54 168 68 126 42 181 152 0.897 33.09 -0.2 88 94 95 96 224 5.4 0.304 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3044 1717.9 7.2 scans 78% 57 m/z (135) 0.28% 0.116% 4983 0.9 220 147965 5799295 5699102 4-0 20: 57 71 43 85 41 55 99 56 70 113 69 226 42 84 112 98 83 127 141 126 0.985 33.37 -2.9 97 99 98 99 226 24.9 1.276 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8882 1728.2 7.8 scans 57% 71 m/z (247) 0.91% 0.0449% 5082 1.1 132 45216 2234624 2098094 1-1 19: 71 57 43 85 70 197 41 196 55 99 56 168 113 127 140 141 69 72 84 0.894 33.90 -0.1 89 96 93 98 197 24.1 3.358 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2696 1733.6 6.7 scans 16% 57 m/z (237) 2.9% 0.00726% 5147 0.7 55 14114 360774 323594 0-2 14: 57 71 210 98 85 211 43 182 41 70 141 95 127 169 0.771 34.27 0.0 80 90 72 87 211 12.0 4.740 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3717 1735.1 10.4 scans 97% 73 m/z 0.0087% 6.35% 5164 0.5 1401 4767395 315877928 301549625 2-2 20: 73 221 147 281 356 415 267 207 148 74 385 416 325 149 341 133 339 191 75 131 0.998 34.39 452.1 81 100 99 100 415 175.4 1.569 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7778 1740.9 12.6 scans 84% 91 m/z 0.032% 1.12% 5233 0.3 535 1264693 55865686 54362131 1-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 77 39 64 51 156 109 154 0.961 34.79 451.9 80 99 95 99 199 152.2 8.104 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9030 1742.7 12.0 scans 32% 69 m/z (199) 1.6% 0.0516% 5254 1.6 113 25842 2566150 2295517 3-1 15: 69 83 84 97 82 67 111 98 125 96 123 224 112 166 110 0.829 34.90 -0.0 91 96 95 99 224 14.4 1.632 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1042 ?? Phytol 35.3457 1749.0 8.5 scans 55% 41 m/z (73) 0.45% 0.108% 5329 0.7 186 90504 5406550 4691378 3-2 20: 41 56 126 70 95 81 111 83 82 96 109 67 112 137 97 98 72 42 110 68 0.720 35.35 451.6 69 96 83 97 196 13.7 0.544 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6923 1754.0 8.5 scans 43% 209 m/z (71) 1.0% 0.0638% 5387 1.0 147 39327 3171689 2872772 3-2 16: 209 193 224 210 105 181 167 195 131 77 166 103 178 225 133 208 0.930 35.70 451.3 64 87 79 90 224 28.2 3.675 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9302 1757.4 9.3 scans 46% 91 m/z (85) 0.63% 0.102% 5428 1.2 171 65556 5073309 4471885 2-4 17: 91 155 148 65 107 147 105 199 220 44 133 108 103 119 77 134 93 0.877 35.94 451.0 71 96 82 95 238 5.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.4851 1765.3 6.7 scans 9.2% 221 m/z 1.3% 0.0166% 5522 1.1 88 30920 826182 755568 1-4 13: 221 73 147 295 281 369 342 341 296 148 297 267 282 0.687 36.58 448.8 70 95 66 92 369 16.6 3.582 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1923 1775.4 8.2 scans 38% 209 m/z 0.41% 0.0548% 5642 1.0 145 99845 2725210 2547129 2-2 19: 209 224 181 165 210 167 178 105 166 179 103 119 115 193 78 77 152 225 117 0.836 37.20 449.1 77 98 80 98 224 49.5 11.705 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0536 1787.7 8.8 scans 47% 57 m/z 0.67% 0.0437% 5788 0.9 135 61576 2173597 1946281 1-2 20: 57 71 85 43 56 41 225 99 55 155 127 113 58 224 169 70 98 141 83 96 0.803 38.06 448.0 72 95 78 92 225 25.6 3.620 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5955 1795.5 13.5 scans 90% 221 m/z 0.010% 2.26% 5880 4.6 1376 3924924 7.80% 112571700 108652859 387443402 0-2 20: 221 341 430 356 222 267 295 325 432 327 402 265 249 251 339 268 460 279 477 323 0.991 38.59 447.4 80 99 97 99 429 414.4 9.087 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8228 1798.8 10.8 scans 51% 57 m/z (239) 0.80% 0.0593% 5918 0.8 129 51761 2947527 2825757 1-0 19: 57 71 85 43 41 55 99 113 56 140 197 42 182 54 156 58 112 155 196 0.954 38.91 -1.2 91 96 92 94 254 12.0 0.000 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4474 1866.6 7.7 scans 45% 74 m/z 0.73% 0.0390% 6024 1.0 126 56805 1940957 1809673 2-2 15: 74 87 143 213 229 75 102 60 129 59 256 88 211 225 227 0.787 39.45 505.1 76 99 82 97 256 17.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8240 1913.3 12.2 scans 97% TIC 0.018% 6.90% 6088 0.3 1350 2215932 342804267 336218694 1-1 0.999 39.94 544.2 81 100 100 100 278 79.7 0.349 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9019 1923.0 6.7 scans 66% 58 m/z 0.39% 0.107% 6101 1.2 233 106318 5353389 4767991 1-3 14: 58 43 71 59 55 109 95 110 124 83 250 123 81 96 0.938 39.88 554.7 77 98 94 97 250 24.4 1.096 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3110 1973.7 7.9 scans 63% 149 m/z 0.11% 0.102% 6170 1.0 200 371145 5098134 4826876 2-2 14: 149 150 104 76 167 223 205 121 65 105 151 132 224 50 0.950 40.31 598.8 78 98 94 98 223 42.7 4.541 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N406_R~1-N1110 ?? Phytol 40.3937 1983.9 >9 scans 14% 109 m/z 2.4% 0.00379% 6184 0.9 65 17005 0.0119% 188560 188560 591100 0-0 17: 109 69 178 121 110 126 80 65 55 262 111 135 210 139 89 66 92 0.413 40.66 -33.3 66 79 32 76 278 11.2 3.034 -0.268 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5991 2009.4 6.9 scans 23% 221 m/z (69) 2.6% 0.0110% 6219 1.1 67 15543 548783 496369 2-6 17: 221 73 147 295 281 222 207 296 369 282 370 371 297 208 283 401 279 0.723 40.63 629.3 70 98 82 96 369 12.7 3.586 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1254 Phytol 40.8435 2039.7 7.8 scans 50% 82 m/z (191) 1.3% 0.0591% 6260 1.4 143 30759 2939021 2610174 2-3 13: 82 95 81 68 123 278 79 67 96 109 124 137 53 0.860 40.87 -3.0 89 98 92 97 278 18.7 1.723 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BQLD_R~1-N1056 ? Homosalate 40.9934 2058.3 8.6 scans 43% TIC 1.2% 0.0192% 6286 1.0 121 33659 956342 956342 0-0 0.874 41.00 672.5 76 97 95 99 262 16.1 1.780 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.0997 2071.5 9.1 scans 63% 109 m/z (74) 1.0% 0.125% 6303 0.9 202 41198 6230248 5842377 1-2 17: 109 81 191 262 123 121 107 93 79 135 91 67 108 137 247 100 124 0.954 41.13 683.7 76 99 94 99 262 37.8 3.489 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2331 2088.0 8.0 scans 60% 79 m/z (113) 0.94% 0.0741% 6327 1.1 167 43928 3682154 3522368 1-2 19: 79 67 93 95 80 55 91 41 108 121 81 77 94 135 87 107 122 78 66 0.933 41.26 -3.0 92 97 94 97 264 12.1 0.522 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4267 2112.0 8.9 scans 57% TIC 0.71% 0.106% 6359 0.9 206 57974 5281022 4756927 7-2 0.791 41.49 -84.6 82 98 79 97 276 14.3 0.485 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8158 2137.7 >13 scans 27% 57 m/z (97) 2.3% 0.0280% 6425 0.5 76 17563 1391096 1228463 1-1 20: 57 177 154 168 253 155 126 94 136 153 204 252 127 137 197 58 113 224 236 122 0.840 41.48 18.7 61 75 78 73 268 1.8 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0047 2148.3 7.9 scans 93% 74 m/z 0.025% 1.32% 6457 0.7 722 1655621 66009734 62822441 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 83 129 59 97 101 199 171 71 241 0.989 42.01 746.3 80 100 99 100 272 17.2 0.057 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 42.1522 2156.6 8.4 scans 18% 109 m/z (70) 6.9% 0.00799% 6482 1.7 52 5976 397246 347619 0-2 20: 109 257 97 91 69 145 258 149 135 229 148 95 150 173 203 41 161 136 119 131 0.675 42.05 6.0 63 73 42 73 272 5.3 0.000 0.107 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.1522 2156.6 8.4 scans 18% 109 m/z (85) 6.2% 0.00808% 6482 1.7 53 6656 401361 351220 0-2 20: 109 257 97 91 69 145 258 149 135 229 148 95 150 173 203 41 161 136 119 131 0.704 42.40 -13.8 61 72 40 67 272 5.1 0.000 -0.247 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3022 2165.0 9.6 scans 92% 73 m/z 0.028% 1.77% 6507 1.2 748 1461420 88332823 82550254 2-3 20: 73 147 281 221 355 429 341 207 282 283 222 148 504 74 295 505 431 357 267 342 0.988 42.37 756.0 74 90 93 99 503 126.1 2.840 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN N419_R~1-N1158 ?? Manool oxide 44.2532 2275.0 9.1 scans 28% 275 m/z (221) 9.0% 0.00791% 6838 1.5 52 4612 393367 393354 0-1 9: 275 137 191 276 121 258 122 138 136 0.643 43.83 837.4 69 96 60 93 275 16.3 9.823 0.426 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1234 Thunbergol 45.1570 2327.0 8.5 scans 85% TIC 0.56% 0.221% 6991 1.0 283 73336 10998077 10152523 2-6 0.924 44.90 14.8 85 85 83 85 272 19.9 0.498 0.256 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7816 2362.9 8.0 scans 79% 73 m/z 0.33% 0.109% 7097 1.2 203 125272 5417156 5149993 2-2 20: 73 355 147 221 281 356 207 357 222 282 429 148 415 295 74 283 327 503 401 267 0.922 45.78 0.3 98 99 90 98 503 19.4 0.909 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9127 2370.4 >6 scans 67% TIC 0.73% 0.0290% 7119 0.6 136 56434 0.152% 1444210 1371119 7550179 1-0 0.935 45.92 891.7 76 98 93 97 298 20.8 2.349 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.0962 2381.0 8.0 scans 81% 79 m/z (249) 0.28% 0.232% 7150 1.1 288 144969 11533010 10394077 2-6 20: 79 67 93 95 80 108 81 41 55 91 107 94 77 121 135 69 59 78 109 122 0.968 46.13 -2.2 94 96 95 98 292 20.4 0.503 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN HCMIX_~1-N1022 ? Henicosane 46.1783 2385.7 22.9 scans 21% 57 m/z (84) 3.4% 0.0106% 7164 1.0 51 11974 0.0176% 528633 440273 874231 0-3 9: 57 71 85 140 43 113 99 154 155 0.825 46.28 -6.0 71 80 60 76 296 4.7 0.000 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4316 2400.3 >5 scans 4.3% 107 m/z 14% 0.000555% 7207 999.0 20 2830 0.00118% 27551 22500 58613 0-5 17: 107 149 178 93 124 69 123 106 65 133 94 58 92 290 122 109 115 0.125 46.49 -3.7 66 82 9 76 290 8.0 15.712 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7551 2418.9 7.9 scans 64% 74 m/z (246) 0.87% 0.0381% 7262 1.2 118 47456 1896998 1736347 3-4 16: 74 87 75 143 55 255 298 41 115 268 83 101 129 59 227 97 0.907 46.76 923.8 74 99 93 98 298 20.9 3.123 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2580 2447.9 8.1 scans 10% 178 m/z (177) 18% 0.00142% 7346 1.1 23 2256 70790 70790 0-0 15: 178 191 134 121 119 109 135 93 122 81 105 91 95 83 107 0.421 47.36 -5.6 69 86 34 78 272 3.9 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5000 2461.8 7.8 scans 44% 138 m/z (122) 3.4% 0.0106% 7388 1.1 62 12054 530291 482552 2-7 11: 138 120 71 121 139 70 306 168 42 65 110 0.798 47.50 949.0 72 97 81 95 168 8.5 1.857 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9357 2544.5 7.6 scans 49% 73 m/z 3.0% 0.00881% 7631 1.1 59 13841 437816 390589 4-6 19: 73 147 429 355 221 430 356 207 281 325 342 431 357 295 369 222 74 341 149 0.730 48.95 994.1 73 98 71 96 429 18.3 9.645 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3561 2626.2 7.8 scans 36% 74 m/z 3.8% 0.00489% 7872 1.0 46 10795 243026 214115 3-2 12: 74 326 71 43 75 97 55 81 283 241 83 59 0.587 50.36 1039.2 64 88 52 84 326 11.6 6.512 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP4.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 54.6206 2871.5 8.8 scans 39% 73 m/z 3.8% 0.00643% 8594 1.2 49 10943 319834 286229 2-5 17: 73 221 147 281 355 207 415 356 430 357 504 265 295 369 341 74 205 0.585 51.86 1240.6 68 92 56 88 503 8.1 0.000 2.763 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0998 771.0 25.2 scans 59% 77 m/z (55) 0.24% 0.0858% 36 2.2 117 166457 4492799 4441970 1-0 9: 77 62 76 75 79 78 86 46 49 0.995 4.37 17.0 98 99 98 99 77 101.9 75.540 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.1630 824.7 >12 scans 44% 57 m/z (69) 1.5% 0.00961% 386 0.6 52 26388 0.0253% 503203 464304 1324045 3-0 11: 57 102 39 56 55 83 38 45 43 59 58 0.856 6.03 -136.9 69 96 82 95 102 6.9 0.000 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6843 864.3 9.2 scans 91% 55 m/z 0.34% 0.176% 643 1.6 248 119076 0.250% 9236536 8903598 13083452 1-0 20: 55 69 83 41 39 42 57 98 70 43 97 56 80 53 40 54 79 68 38 51 0.982 7.71 9.0 100 100 98 100 98 51.1 4.244 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1014 Contamination 6.52min 12.0444 977.8 7.0 scans 8.4% 207 m/z (57) 11% 0.000771% 1382 1.6 19 3651 40364 38952 0-1 5: 207 208 223 191 209 0.603 6.53 1.0 81 92 71 92 207 15.1 66.133 5.516 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2351 982.8 9.7 scans 52% TIC 0.50% 0.0625% 1414 1.8 134 81530 3271007 2933103 2-4 0.605 12.22 36.5 88 96 37 99 281 71.3 28.393 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6838 994.5 10.5 scans 78% 81 m/z (121) 0.41% 0.0672% 1490 2.0 128 99675 3519905 3219050 4-2 19: 81 110 53 41 39 67 79 68 77 51 65 95 50 54 82 40 109 63 111 0.935 13.22 30.9 92 96 91 99 110 38.4 9.038 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9417 1001.2 8.7 scans 49% 57 m/z (67) 3.1% 0.0244% 1534 1.5 84 12986 1279181 1159645 2-2 13: 57 84 56 41 44 55 69 42 109 100 68 101 85 0.783 12.96 -173.6 61 88 77 88 110 9.1 1.163 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1016 Limonene 13.9111 1027.5 8.3 scans 72% TIC 0.68% 0.0591% 1698 1.1 154 60118 3094360 2911661 1-2 0.847 13.89 52.2 88 99 90 99 136 30.8 4.007 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.1230 1033.2 18.9 scans 88% 79 m/z 0.22% 0.180% 1734 0.0 234 185758 0.306% 9465810 9274053 16014145 1-0 20: 79 77 108 82 91 80 78 50 39 109 76 51 70 55 66 90 61 52 73 84 0.981 14.11 54.2 92 100 99 100 108 104.7 20.095 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4553 1042.2 10.0 scans 80% 91 m/z 0.11% 0.162% 1790 1.5 213 354095 8510970 7792478 2-4 18: 91 92 120 65 63 89 39 51 121 50 90 64 93 38 74 61 52 75 0.973 14.44 57.4 91 100 98 100 120 70.1 10.837 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1826 1062.0 >14 scans 89% TIC 0.080% 0.327% 1913 1.4 299 514896 0.491% 17140723 16418443 25695900 2-0 0.968 15.17 64.6 90 100 98 100 123 107.3 12.861 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2033 1062.5 12.7 scans 4.1% 109 m/z (105) 1.8% 0.0154% 1917 1.3 59 21868 808973 750013 2-2 4: 109 64 94 110 0.487 16.11 -207.7 68 96 76 95 109 34.3 34.055 -0.906 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN 98-86-2 ? Acetophenone 15.2700 1064.3 >13 scans 69% 105 m/z 0.13% 0.169% 1928 1.2 226 298558 0.332% 8880572 8380608 17374824 0-2 20: 105 120 77 51 43 106 50 78 63 74 121 76 107 62 73 75 39 49 53 60 0.963 15.29 -181.4 79 98 96 99 120 76.3 11.429 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4382 1068.9 9.4 scans 69% 95 m/z 0.14% 0.193% 1957 1.6 245 292716 10108595 9628916 1-3 16: 95 81 124 79 43 109 53 39 41 82 96 66 67 51 63 40 0.863 15.43 67.2 88 100 86 99 124 77.6 10.039 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1002 Undecane 16.6118 1101.0 8.5 scans 53% 57 m/z 1.7% 0.0181% 2156 1.0 84 23596 949205 844395 6-1 12: 57 43 71 41 69 154 99 113 156 98 127 82 0.795 16.59 1.0 93 97 87 96 156 11.4 1.862 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1016 Nonanal 16.7830 1108.3 8.3 scans 89% TIC 0.21% 0.270% 2185 1.2 310 194629 0.288% 14151869 12885607 15072137 0-3 0.974 16.82 85.9 81 98 96 97 124 18.5 0.000 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9660 1116.0 8.9 scans 71% 71 m/z 0.30% 0.111% 2216 1.3 199 135800 5847822 5113399 2-6 20: 71 95 43 110 58 128 85 41 55 84 57 72 69 56 70 39 42 120 68 113 0.932 16.97 91.3 79 97 93 99 128 50.1 6.318 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.0752 1120.6 11.3 scans 77% 91 m/z 0.16% 0.138% 2234 1.1 198 258402 7266025 6659353 2-4 19: 91 92 122 65 77 63 89 103 51 39 78 123 50 62 90 64 74 104 102 0.951 17.05 94.6 81 100 94 100 122 68.6 12.048 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0800 1163.1 9.4 scans 78% TIC 0.45% 0.0684% 2404 1.2 151 90853 3582993 3180084 10-2 0.899 18.13 -168.6 79 99 86 99 355 67.6 19.986 -0.051 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN M4942-N1002 ?? Pyranone 18.3627 1175.0 12.8 scans 45% 43 m/z (125) 2.6% 0.0180% 2452 2.3 63 15738 942234 876330 2-1 5: 43 115 145 74 42 0.879 20.04 -215.5 68 95 79 94 144 29.5 21.629 -1.679 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7087 1189.6 8.3 scans 60% 98 m/z 1.9% 0.0273% 2511 1.1 108 21785 1433412 1348508 1-2 20: 98 111 55 69 82 43 41 67 125 93 70 97 100 107 95 83 126 91 99 84 0.844 18.71 138.8 77 99 87 98 153 5.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8338 1194.9 8.8 scans 64% 70 m/z 1.4% 0.0432% 2532 1.0 127 29563 2265567 2089594 1-3 20: 70 55 41 83 43 69 84 57 39 96 56 81 67 42 97 93 54 58 72 79 0.803 18.83 142.2 74 100 88 99 122 9.7 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1243 1207.2 7.9 scans 47% 82 m/z 1.3% 0.0103% 2581 1.1 71 31423 539795 509101 1-1 13: 82 81 43 54 39 55 53 41 71 97 79 38 98 0.803 19.12 150.1 76 100 81 98 97 11.7 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7547 1233.8 10.2 scans 25% 119 m/z (57) 1.2% 0.0163% 2688 1.1 69 32328 855891 793911 2-3 5: 119 91 120 65 92 0.781 13.76 34.3 73 80 69 80 134 23.0 11.159 5.998 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7996 1235.7 9.7 scans 74% 57 m/z 0.37% 0.0873% 2695 1.1 168 109531 4569996 4161310 1-4 17: 57 41 56 72 101 59 71 75 73 131 87 62 55 132 61 46 42 0.947 19.81 168.2 77 97 91 99 144 4.2 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3091 1257.2 11.5 scans 30% 43 m/z (107) 3.3% 0.00983% 2782 1.3 48 12245 514821 440787 2-1 7: 43 98 41 67 70 58 54 0.590 20.32 -0.5 87 97 63 93 170 7.1 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1004 ? Blank_Nonanal 20.5263 1263.9 8.1 scans 87% 57 m/z (60) 0.36% 0.223% 2819 0.9 280 112058 11700556 10548369 5-2 19: 57 41 55 43 82 70 71 68 83 56 67 44 112 81 69 96 84 42 39 0.995 16.82 -27.5 70 72 86 75 124 4.2 0.000 3.711 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5269 1263.9 8.4 scans 83% TIC 0.36% 0.211% 2819 0.8 274 114443 11085028 10093165 3-3 0.939 20.56 185.2 79 97 98 100 128 25.0 0.830 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9944 1277.9 8.8 scans 57% 137 m/z (71) 0.37% 0.174% 2898 1.1 241 109566 9117937 8305699 2-2 20: 137 152 109 123 81 67 79 91 107 39 93 41 55 119 53 43 153 124 121 68 0.686 21.00 192.6 76 99 69 97 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1006 ? Arosol 21.0110 1278.4 10.3 scans 40% 94 m/z (137) 0.17% 0.128% 2901 1.0 192 236162 6729213 6287269 2-2 14: 94 138 77 66 51 78 63 139 40 68 62 74 117 76 0.934 20.98 193.4 74 96 89 98 152 8.3 0.000 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.5068 1293.3 9.0 scans 23% 281 m/z (147) 1.5% 0.00970% 2985 1.1 53 26412 508096 440219 2-8 13: 281 283 282 207 135 265 249 251 250 223 267 266 179 0.470 12.25 140.2 72 98 63 96 281 40.6 59.263 9.256 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9006 1335.1 9.7 scans 70% 69 m/z (57) 0.30% 0.136% 3221 1.3 197 137298 7163572 6580935 2-3 13: 69 109 43 86 110 67 128 95 39 51 87 93 108 0.943 22.91 221.5 72 96 90 95 127 26.9 1.850 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.7442 1360.5 14.1 scans 62% TIC 0.29% 0.164% 3364 0.3 224 140418 8620267 7829914 1-2 0.890 22.70 -114.8 76 97 88 98 158 16.5 0.546 1.048 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1002 Contamination 24.17min 24.0937 1371.7 7.3 scans 69% 73 m/z 0.14% 0.188% 3423 1.0 285 284239 9879024 9293450 2-2 20: 73 341 429 342 325 147 343 430 431 326 74 207 327 344 432 148 75 45 191 311 0.931 24.17 -152.1 80 99 91 99 429 89.1 9.740 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5695 1387.6 8.4 scans 71% TIC 0.64% 0.0556% 3504 1.0 153 64710 2914246 2618139 5-1 0.899 24.54 250.3 75 97 91 98 169 16.1 1.104 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1006 ? Tridecane 24.5707 1387.7 8.3 scans 71% 71 m/z 0.63% 0.0619% 3504 1.1 153 65049 0.0707% 3239883 2990095 3700000 2-3 20: 71 57 85 43 69 41 127 70 84 55 113 99 56 125 155 169 42 109 67 112 0.892 23.86 23.7 77 82 86 81 184 0.0 0.000 0.709 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7808 1394.7 10.6 scans 34% 43 m/z 1.1% 0.0198% 3539 1.1 85 36081 1038670 969169 2-1 19: 43 83 55 57 85 142 69 58 56 39 68 97 67 45 94 73 42 112 98 0.526 24.70 255.1 62 98 65 92 170 3.9 0.000 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1034 ?? Decanal 24.7808 1394.7 10.6 scans 47% 43 m/z (155) 1.1% 0.0340% 3539 1.1 99 35523 1783540 1664197 2-1 19: 43 83 55 57 85 142 69 58 56 39 68 97 67 45 94 73 42 112 98 0.597 20.57 -12.3 60 72 60 79 138 1.9 0.000 4.212 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1032 ?? Dodecane 24.8977 1398.6 >20 scans 50% 69 m/z (155) 1.8% 0.0353% 3560 2.9 88 22644 1850941 1830115 0-2 16: 69 55 86 135 72 177 42 68 212 114 97 67 129 82 101 74 0.768 20.36 -1.6 65 75 83 78 170 0.0 0.000 4.540 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2165 1409.2 7.6 scans 39% 43 m/z 0.48% 0.0230% 3613 0.9 97 86040 1207576 1101623 3-2 9: 43 103 145 116 85 115 86 169 146 0.654 25.24 -150.7 77 100 94 100 145 35.6 13.481 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1004 Nicotine 25.5276 1419.6 >23 scans 96% TIC 0.0054% 13.9% 3666 0.2 1493 7593352 731732070 713578985 0-2 1.000 25.89 262.6 80 99 99 99 162 420.3 7.927 -0.364 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N406_R~1-N1090 ?? UNK 42.45min 25.7478 1427.0 7.5 scans 28% 159 m/z (71) 0.85% 0.0151% 3703 1.1 77 48681 793314 740386 4-1 6: 159 174 160 144 131 175 0.886 42.45 16.4 60 65 46 64 272 0.0 0.000 -16.698 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 26.4792 1451.4 7.1 scans 23% 189 m/z (355) 4.3% 0.00707% 3827 1.0 56 9497 370466 354096 1-2 12: 189 204 155 174 205 107 145 141 190 128 122 129 0.646 45.98 -28.3 60 72 43 71 204 21.6 14.886 -19.496 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0902 1471.8 6.7 scans 43% 221 m/z 1.7% 0.0123% 3931 0.8 77 23341 648380 595954 1-2 19: 221 73 147 281 222 355 267 443 148 268 223 357 283 191 249 74 444 356 339 0.798 27.12 296.9 74 95 76 94 355 16.3 4.507 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1646 1474.3 8.0 scans 73% 57 m/z (163) 0.47% 0.0693% 3943 1.2 162 86512 0.110% 3628396 3496920 5756719 1-0 19: 57 71 85 43 41 55 56 126 99 70 42 84 98 72 127 69 113 39 83 0.982 27.21 -1.5 96 98 97 98 198 19.5 1.448 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8364 1499.4 7.7 scans 60% 71 m/z (121) 0.51% 0.0994% 4057 1.2 193 80656 5207067 4941094 1-5 15: 71 57 43 85 70 41 55 169 168 99 56 113 153 140 127 0.851 27.84 314.1 61 87 85 93 212 9.1 0.224 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9438 1503.4 12.6 scans 66% 118 m/z 0.31% 0.106% 4075 2.1 169 130239 5563286 5337307 1-2 19: 118 146 145 105 78 147 51 119 91 64 117 63 104 65 50 131 76 90 42 0.931 27.93 316.7 78 98 88 97 146 78.1 21.287 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6569 1530.2 8.0 scans 78% 43 m/z (166) 0.097% 0.362% 4196 1.0 355 423333 18969932 16237827 9-2 20: 43 69 41 151 136 107 125 67 93 109 53 121 83 39 68 81 79 108 95 91 0.987 28.67 332.8 78 99 99 100 194 23.4 0.434 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0938 1546.7 7.7 scans 75% 71 m/z (160) 0.13% 0.309% 4270 1.1 342 312693 0.433% 16217029 14725349 22660539 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 183 97 84 69 42 177 140 72 0.972 29.10 342.8 72 95 95 95 227 7.1 0.043 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5088 1562.3 7.5 scans 69% 73 m/z 0.10% 0.343% 4340 1.1 378 411017 17953850 16952568 2-1 20: 73 281 147 327 282 415 341 503 283 399 328 221 504 416 148 329 74 325 417 505 0.963 29.61 -150.8 79 99 94 99 503 66.2 3.075 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6386 1567.1 11.1 scans 58% 158 m/z (177) 0.029% 1.03% 4362 1.1 534 1418190 54255488 50347671 2-3 20: 158 157 130 89 156 90 104 143 42 142 76 155 75 88 87 38 132 101 37 49 0.964 29.68 354.5 77 99 97 99 158 297.4 31.063 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7638 1571.8 7.9 scans 74% 123 m/z 0.029% 0.443% 4383 0.9 422 1410349 23212424 21610236 1-3 18: 123 135 124 107 91 95 79 109 77 81 39 165 67 93 97 53 125 105 0.935 29.77 357.8 79 98 91 99 193 35.9 0.725 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9403 1578.5 9.2 scans 80% TIC 0.079% 0.598% 4413 1.3 406 518657 31341534 28557711 1-3 0.885 29.94 362.1 76 98 90 96 254 11.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1658 1587.0 8.0 scans 64% 57 m/z 0.29% 0.114% 4452 1.3 228 141955 0.173% 5969315 5542722 9053749 1-0 20: 57 85 71 43 41 99 55 84 113 56 70 69 127 98 155 183 141 112 83 86 0.934 30.38 -7.9 81 83 89 84 212 3.1 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4982 1600.0 7.9 scans 81% 191 m/z 0.038% 0.353% 4508 1.0 380 1082446 18522110 17664827 1-6 19: 191 206 192 57 163 74 175 91 115 207 107 73 77 88 161 128 147 105 133 0.970 30.50 375.2 80 99 95 99 206 103.7 7.457 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8181 1613.4 7.8 scans 29% 124 m/z (71) 1.3% 0.0237% 4562 1.0 93 29718 1243872 1124661 1-4 4: 124 137 180 138 0.944 30.81 384.0 68 90 83 94 180 23.9 6.571 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8778 1615.9 9.0 scans 54% 162 m/z (172) 0.64% 0.0692% 4572 1.2 153 64369 3624042 3507130 1-1 18: 162 147 161 105 148 134 71 106 119 165 133 163 77 104 50 189 176 115 0.914 30.88 -0.1 88 90 82 95 204 12.4 0.650 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9273 1618.0 8.7 scans 7.7% 172 m/z 2.5% 0.00523% 4580 1.2 44 16042 0.00698% 273982 253216 365290 2-0 8: 172 171 156 179 142 94 211 170 0.762 30.93 0.0 80 93 67 92 171 31.6 52.564 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1044 ?? UNK 31.21min 31.2142 1630.1 11.4 scans 37% TIC 0.18% 0.432% 4629 0.7 341 221302 22631568 20287319 2-3 0.436 31.20 394.7 66 90 42 86 180 110.9 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2166 1630.2 10.1 scans 82% 111 m/z (71) 0.052% 0.880% 4629 0.5 504 788547 46062832 41917473 3-2 20: 111 109 137 180 67 110 124 152 95 79 81 77 41 112 93 91 65 53 165 138 0.971 31.18 395.2 76 96 96 99 180 111.0 4.850 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5029 1642.2 9.5 scans 63% 43 m/z (113) 0.44% 0.0982% 4678 1.3 175 93765 5140159 4751562 1-1 20: 43 98 85 111 55 84 127 151 41 56 82 68 142 83 69 123 126 107 67 166 0.962 31.52 -0.5 91 93 93 95 166 30.6 3.075 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7845 1654.0 8.8 scans 22% 193 m/z (131) 1.1% 0.0176% 4726 0.8 77 34711 921835 847109 2-3 5: 193 194 152 208 175 0.645 31.80 -0.5 66 75 47 82 208 16.8 4.706 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9150 1659.5 7.7 scans 59% 71 m/z (124) 0.66% 0.0711% 4748 0.7 161 62095 0.0777% 3724156 3435211 4066337 0-1 20: 71 57 85 43 99 83 55 69 41 82 70 113 84 127 155 111 56 112 126 141 0.934 31.92 -0.2 74 79 86 84 219 5.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0531 1665.3 6.6 scans 41% 221 m/z (43) 0.59% 0.0425% 4771 1.2 138 70002 2227121 2077835 2-1 19: 221 73 147 222 295 207 341 355 223 296 148 325 281 182 267 356 208 74 343 0.909 32.08 -1.1 94 97 91 97 355 24.4 3.116 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2326 1672.9 8.9 scans 61% 57 m/z 0.34% 0.115% 4802 1.5 191 120378 6026142 5569523 1-2 19: 57 43 71 85 41 183 99 56 55 113 182 42 70 69 141 83 211 226 97 0.837 32.24 -0.2 87 90 80 88 226 9.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4386 1681.5 12.2 scans 21% TIC 0.87% 0.0172% 4837 0.8 90 47562 900181 845663 1-1 0.427 32.44 -0.2 79 87 43 81 226 2.1 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6706 1691.3 9.0 scans 51% 205 m/z (163) 2.5% 0.0578% 4875 1.0 137 16326 3029549 2768387 2-4 17: 205 105 93 107 159 79 162 187 145 131 202 120 146 132 177 134 106 0.885 32.67 -0.2 92 96 84 96 220 8.6 0.394 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8601 1699.2 9.0 scans 10% 70 m/z (149) 1.7% 0.0129% 4908 1.8 61 24220 679692 619604 1-2 9: 70 201 216 109 134 202 52 187 131 0.464 32.87 -0.3 66 89 39 82 186 5.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9262 1702.0 7.9 scans 62% 71 m/z 0.11% 0.113% 4919 0.9 211 367773 5928267 5247869 6-8 15: 71 43 159 111 243 56 155 72 173 143 244 98 89 73 44 0.918 32.93 -0.3 95 96 91 97 243 35.3 2.802 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0850 1708.7 7.4 scans 42% 97 m/z (216) 2.7% 0.0264% 4946 0.9 102 15032 1384379 1226247 1-1 19: 97 83 57 70 43 69 55 85 41 111 56 71 82 98 127 54 53 99 42 0.898 33.09 -0.0 87 92 95 97 224 4.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3046 1717.9 7.3 scans 74% 57 m/z (109) 0.28% 0.108% 4983 0.9 215 144428 5699293 5576540 2-1 20: 57 71 85 43 41 55 56 99 70 113 69 42 226 84 98 127 126 112 83 72 0.979 33.37 -2.9 96 99 98 99 226 24.7 1.325 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8920 1728.2 7.8 scans 53% 71 m/z 0.75% 0.0411% 5082 1.0 137 54882 2153490 1966760 10-1 20: 71 57 43 70 85 41 197 55 196 99 113 56 127 141 69 168 140 42 210 84 0.865 33.90 -0.1 89 93 87 92 197 26.9 3.858 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2657 1733.6 7.1 scans 15% 57 m/z (84) 3.3% 0.00673% 5146 1.0 54 12375 352446 330876 0-1 15: 57 210 98 71 211 85 43 41 79 123 125 142 72 91 143 0.764 34.27 -0.0 77 87 66 86 211 12.3 5.262 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.3778 1735.2 10.8 scans 97% 355 m/z 0.0082% 6.59% 5165 0.5 1408 5047551 345265574 336082268 2-1 20: 355 73 281 282 222 74 385 341 75 131 205 386 295 269 279 313 266 297 343 384 0.996 34.39 452.2 81 100 99 100 415 175.5 1.555 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8023 1741.2 14.8 scans 87% 91 m/z 0.029% 1.41% 5237 0.4 561 1410266 74093138 72031625 1-1 20: 91 155 199 90 184 65 89 92 44 120 137 63 106 77 39 200 64 156 51 134 0.965 34.79 452.2 80 99 96 99 199 161.6 8.308 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9032 1742.7 8.2 scans 28% 68 m/z (85) 1.8% 0.0321% 5253 1.5 104 22477 1682764 1570670 1-1 2: 68 224 0.886 34.90 -0.0 91 96 94 98 224 13.4 1.661 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3448 1749.0 8.5 scans 64% 55 m/z (184) 0.41% 0.149% 5329 0.7 225 99145 7830111 7142284 2-1 20: 55 69 41 56 126 70 95 81 111 83 96 67 137 109 97 98 112 42 140 68 0.909 35.35 451.6 72 94 94 99 196 19.3 0.737 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6824 1753.8 8.9 scans 42% 123 m/z (71) 0.55% 0.0861% 5386 1.2 167 74328 4510044 4066098 2-3 11: 123 131 77 124 175 194 103 104 149 119 152 0.897 35.70 451.1 68 91 82 93 224 28.8 2.960 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9245 1757.3 9.3 scans 53% 91 m/z (85) 0.39% 0.136% 5428 1.4 206 104418 7154192 6421781 2-4 11: 91 65 199 159 220 93 148 133 119 156 117 0.911 35.94 450.9 69 93 86 94 238 7.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1984 1775.5 8.2 scans 36% 209 m/z 0.35% 0.0624% 5643 0.9 157 116721 3267017 3079616 2-2 19: 209 224 181 210 165 167 178 105 194 166 179 225 103 77 193 115 152 119 168 0.892 37.20 449.2 77 98 84 97 224 52.7 11.320 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0515 1787.7 8.9 scans 60% 57 m/z (137) 0.58% 0.0792% 5788 1.1 163 70447 4145277 3926330 1-1 19: 57 71 85 56 225 99 41 55 113 127 224 141 69 58 155 70 42 226 197 0.946 38.06 448.0 75 99 97 99 225 28.5 3.067 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5875 1795.4 >10 scans 93% 147 m/z 0.0089% 6.10% 5878 0.2 1386 4646715 9.33% 319712974 307672787 488274434 2-0 20: 147 221 355 222 207 325 356 282 205 223 267 208 328 327 477 475 329 224 279 404 0.999 38.59 447.3 80 99 98 99 429 403.4 8.492 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1004 ?? Contamination 32.10min 38.6135 1795.8 >4 scans 58% 221 m/z (429) 0.014% 1.69% 5883 1.3 1095 2833755 5.95% 88496392 84748149 311386161 0-2 20: 221 281 207 222 357 295 267 282 343 133 327 131 205 265 191 296 326 358 251 279 0.935 32.10 547.0 63 87 89 87 355 237.5 0.000 6.511 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1016 Octadecane 38.8336 1798.9 10.5 scans 52% 57 m/z (127) 0.57% 0.0727% 5919 0.8 144 72299 3804968 3557382 2-1 17: 57 43 41 113 55 56 99 154 86 70 42 196 141 182 98 155 44 0.968 38.91 -1.1 89 94 93 93 254 15.1 1.086 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4476 1866.6 8.1 scans 39% 74 m/z 0.85% 0.0364% 6024 1.2 120 48250 1905527 1774294 2-2 16: 74 87 228 102 143 75 256 60 213 229 129 211 59 101 73 185 0.756 39.45 505.1 73 99 79 97 256 18.0 2.246 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8372 1915.0 13.2 scans 95% 68 m/z 0.017% 7.32% 6090 0.2 1360 2302833 383120796 363852175 1-2 20: 68 95 82 123 69 57 81 55 67 43 83 41 97 71 109 96 124 111 79 56 0.999 39.94 545.9 81 100 100 100 278 81.6 0.361 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9098 1924.0 6.8 scans 68% TIC 0.29% 0.120% 6102 1.2 267 141442 6296494 5774766 0-3 0.937 39.88 555.7 77 98 93 97 250 28.0 1.101 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3171 1974.5 8.7 scans 69% TIC 0.069% 0.180% 6171 0.8 251 593202 0.193% 9453717 7521986 10100425 4-5 0.946 40.31 599.6 78 98 93 98 223 54.2 4.668 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N406_R~1-N1110 ?? Phytol 40.3980 1984.5 17.3 scans 19% 82 m/z (69) 2.6% 0.0206% 6185 1.2 82 15474 0.0407% 1080857 987126 2129986 1-0 20: 82 109 120 126 124 71 191 262 110 96 263 139 121 193 68 141 113 278 156 92 0.738 40.66 -32.7 62 76 50 75 278 9.9 1.478 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5834 2007.5 15.5 scans 56% TIC 0.55% 0.0346% 6216 1.3 156 75289 0.0623% 1812214 1714222 3260396 1-0 0.876 40.63 627.4 74 97 90 99 369 27.0 3.010 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0007 2059.2 8.4 scans 48% 138 m/z 0.61% 0.0613% 6287 1.0 163 67792 3211245 2979657 1-1 16: 138 120 109 69 121 124 83 139 65 92 149 82 262 93 95 193 0.933 41.00 673.4 76 96 94 100 262 21.3 1.692 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.0976 2071.2 11.7 scans 53% TIC 0.97% 0.0934% 6303 1.0 187 42457 4892523 4469905 1-1 0.853 41.13 683.4 76 96 82 96 262 36.6 3.852 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2410 2089.0 8.2 scans 43% 79 m/z 0.79% 0.0583% 6328 0.9 159 51998 3054269 2850154 2-1 17: 79 67 93 80 95 108 41 91 121 81 94 77 107 87 164 135 59 0.723 41.26 -2.0 90 93 77 90 264 12.2 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4329 2112.8 8.9 scans 63% TIC 0.48% 0.151% 6360 0.8 246 85711 7912029 7266281 8-2 0.849 41.49 -83.8 83 99 83 98 276 17.4 0.499 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.8337 2138.7 8.2 scans 46% 71 m/z (228) 1.5% 0.0425% 6428 1.1 124 26453 2224588 1979942 1-2 18: 71 57 43 84 125 41 55 97 83 69 99 154 70 56 111 126 155 81 0.910 41.48 19.7 68 79 83 80 268 3.2 0.000 0.351 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0055 2148.3 7.9 scans 91% 74 m/z 0.029% 1.08% 6457 0.8 657 1404676 56628547 53980024 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 129 83 239 59 185 97 101 199 241 0.975 42.01 746.3 80 99 98 99 272 17.5 0.071 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.2965 2164.7 9.7 scans 94% 73 m/z 0.019% 2.65% 6506 1.1 915 2108827 139076570 130408558 2-4 20: 73 147 281 221 503 341 207 282 356 222 504 283 148 74 505 327 342 267 223 325 0.994 42.37 755.7 74 90 93 98 503 154.2 2.838 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.3532 2167.8 8.4 scans 5.4% 77 m/z (73) 6.8% 0.0157% 6516 1.6 74 6019 826727 720366 1-3 9: 77 91 121 257 81 105 107 39 92 0.744 42.40 -2.6 69 85 57 81 272 4.7 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1020 ?? Icosane 43.8485 2251.8 8.7 scans 46% 71 m/z (245) 1.4% 0.0376% 6770 1.3 111 28882 1972257 1726670 1-3 18: 71 57 85 43 55 99 113 126 41 72 69 70 56 238 281 141 97 86 0.909 43.94 -4.9 61 66 85 82 282 3.9 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N419_R~1-N1158 ?? Manool oxide 44.2605 2275.4 8.9 scans 18% 95 m/z (221) 7.7% 0.0100% 6839 1.2 58 5343 526400 464287 2-3 20: 95 257 93 258 193 150 108 121 177 159 123 175 81 163 67 91 68 151 83 109 0.749 43.83 837.8 66 95 72 92 275 16.9 8.409 0.434 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1584 2327.0 8.8 scans 84% 137 m/z (174) 0.52% 0.268% 6991 1.4 289 78999 14065156 12745738 2-3 18: 137 81 95 93 69 257 55 109 123 41 121 107 67 79 91 136 80 105 0.952 44.90 14.8 82 84 86 85 272 20.4 0.499 0.257 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN N6_REP1-N1178 ?? UNK Alkene structure 45.4471 2343.7 8.7 scans 45% 43 m/z (140) 2.9% 0.0310% 7041 1.7 96 13965 1625434 1482824 3-3 20: 43 81 68 69 79 107 97 71 41 93 139 149 67 95 82 91 105 53 121 133 0.772 45.47 873.8 64 94 74 90 288 4.9 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7741 2362.5 8.2 scans 78% 73 m/z 0.21% 0.177% 7095 1.0 259 194833 9270627 8533174 2-3 20: 73 355 147 221 281 356 357 207 429 222 282 341 148 74 283 503 358 223 430 267 0.929 45.78 -0.1 99 99 92 99 503 24.9 0.923 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1228 ?? C18:2-butanoate 45.9707 2373.8 7.9 scans 78% 67 m/z (281) 0.46% 0.176% 7129 1.0 256 88911 9242786 8554498 4-1 20: 67 81 95 55 82 68 79 96 41 54 109 69 110 80 83 94 150 59 123 263 0.949 46.00 -1.8 61 67 68 68 294 28.3 1.225 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.0988 2381.2 7.9 scans 76% 79 m/z 0.24% 0.230% 7150 1.1 299 168739 12062686 10876154 2-5 20: 79 67 95 93 108 80 81 55 91 41 107 94 77 121 135 59 78 109 69 87 0.900 46.13 -2.0 96 98 90 97 292 23.3 0.606 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.3964 2398.3 9.0 scans 6.7% 217 m/z (111) 8.3% 0.00359% 7201 0.8 33 4935 0.00388% 188057 160854 203055 6-3 2: 217 191 0.193 46.86 -26.6 62 85 23 81 290 3.0 0.000 -0.463 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4206 2399.7 8.9 scans 38% 177 m/z (217) 2.1% 0.0216% 7205 1.0 85 19478 1135479 1021653 2-2 13: 177 119 79 195 135 121 137 290 148 107 178 96 257 0.846 46.49 -4.3 92 97 79 94 290 13.1 2.373 -0.074 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN HCMIX_~1-N1022 ?? Henicosane 46.6154 2410.9 8.0 scans 34% 155 m/z (97) 5.1% 0.00967% 7238 1.3 59 8085 506405 441702 1-3 14: 155 57 71 195 70 112 98 125 163 169 126 111 153 151 0.848 46.28 19.2 62 70 78 73 296 0.0 0.000 0.333 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7606 2419.3 7.8 scans 46% 74 m/z (258) 1.3% 0.0221% 7263 0.9 91 31341 1158529 1088936 3-4 11: 74 87 75 143 199 255 129 101 59 298 268 0.887 46.76 924.2 72 97 86 95 298 18.0 3.956 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2641 2448.2 8.5 scans 32% 134 m/z (111) 6.6% 0.00765% 7348 0.7 52 6188 400609 367963 1-2 10: 134 119 109 163 91 135 133 272 161 107 0.656 47.36 -5.3 82 93 64 90 272 5.9 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5068 2462.2 7.8 scans 29% 112 m/z (237) 4.5% 0.00819% 7389 0.8 53 9078 428652 358630 2-7 9: 112 120 139 70 65 92 121 168 110 0.686 47.50 949.4 67 97 76 94 168 7.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 54.6143 2871.2 10.1 scans 59% TIC 2.1% 0.0167% 8593 1.5 76 19628 876255 811876 1-1 0.754 51.86 1240.3 75 97 74 95 503 10.2 1.806 2.756 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 57.8907 3059.7 12.1 scans 48% 73 m/z (296) 4.2% 0.0109% 9148 1.2 52 9838 573987 543452 1-4 16: 73 355 147 221 503 401 222 430 357 356 415 431 295 149 148 432 0.692 48.95 1509.3 68 98 70 95 429 13.4 6.582 8.942 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1038 771.1 14.0 scans 66% 77 m/z 0.14% 0.109% 37 4.8 163 252664 0.119% 4168220 3974551 4547800 0-2 13: 77 45 78 79 62 76 63 59 75 61 92 47 46 0.982 4.37 17.1 100 99 97 99 77 141.6 75.508 -0.267 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1014 Contamination 6.52min 6.5856 835.7 16.8 scans 74% 207 m/z 0.47% 0.0564% 457 2.9 104 77909 2155522 1982426 1-2 20: 207 208 209 96 191 133 163 192 193 103 115 161 147 73 134 119 176 178 135 75 0.886 6.53 -141.1 80 100 87 99 207 78.6 57.577 0.058 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6824 864.3 8.7 scans 94% 69 m/z (95) 0.20% 0.392% 643 1.6 347 185992 0.484% 14982667 14482964 18496936 1-0 20: 69 55 41 83 39 42 57 98 70 97 43 56 80 53 40 54 79 68 38 51 0.998 7.71 9.0 99 100 100 100 98 64.7 3.480 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 12.8230 998.1 8.0 scans 45% 43 m/z (134) 0.71% 0.0481% 1514 1.3 123 52183 1841116 1627422 3-6 14: 43 71 99 108 41 265 55 69 111 125 93 58 142 67 0.691 12.22 51.8 76 93 26 95 281 56.9 21.464 0.603 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2303 1009.1 9.9 scans 84% TIC 0.25% 0.109% 1583 2.2 178 143886 0.117% 4168280 3997253 4471367 4-2 0.965 13.22 45.5 90 96 93 98 110 53.0 8.925 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1016 Limonene 14.3602 1039.7 8.1 scans 85% 68 m/z 0.24% 0.234% 1774 1.2 285 153007 8964793 8201640 5-5 20: 68 93 67 79 94 121 136 92 107 91 53 77 39 41 81 80 95 124 65 105 0.959 13.89 64.4 85 94 93 99 136 56.6 3.947 0.468 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.5538 1044.9 15.9 scans 85% 79 m/z 0.15% 0.479% 1807 1.4 299 242878 18325658 16685278 2-3 20: 79 108 77 107 51 54 78 50 80 65 63 109 39 61 38 74 91 89 90 81 0.981 14.11 65.9 89 100 98 100 108 132.7 19.739 0.445 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8632 1053.3 10.3 scans 80% 91 m/z 0.10% 0.221% 1859 1.7 237 344631 8455644 7598370 2-3 19: 91 92 120 65 63 89 39 51 44 62 90 50 64 41 38 93 74 66 52 0.908 14.44 68.5 88 100 98 100 120 77.3 10.613 0.421 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5438 1071.7 >10 scans 86% TIC 0.12% 0.203% 1975 0.9 253 289060 7779995 7566765 1-0 0.948 15.17 74.3 87 100 98 100 123 88.3 12.201 0.374 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN 98-86-2 ? Acetophenone 15.6288 1074.0 9.7 scans 80% 105 m/z 0.077% 0.342% 1989 1.0 331 481800 0.422% 13088795 12030240 16127494 0-3 20: 105 77 120 51 50 106 43 78 121 74 75 76 63 39 62 52 65 91 89 38 0.988 15.29 -171.7 79 98 97 99 120 119.8 13.137 0.336 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.7693 1077.8 9.1 scans 64% TIC 0.15% 0.200% 2013 1.5 252 248499 7678627 6614162 1-3 0.768 15.43 76.1 80 98 84 98 124 79.3 9.887 0.336 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1012 ?? Nicotine 16.5368 1098.6 7.2 scans 1.4% 133 m/z 24% 0.000243% 2143 1.2 11 1555 9275 9009 0-2 4: 133 120 148 119 0.030 25.78 -56.7 64 100 100 100 162 0.0 0.000 -9.241 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1002 Undecane 16.8803 1112.4 >11 scans 47% TIC 2.3% 0.0148% 2201 1.1 76 16058 568087 538538 5-0 0.780 16.59 12.4 87 92 80 94 156 8.5 1.251 0.293 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0397 1119.1 8.9 scans 38% TIC 0.51% 0.144% 2228 0.8 206 72708 5539468 4752999 2-5 0.453 16.82 -172.3 71 92 43 90 124 4.7 0.000 0.225 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1016 ? Nonanal 17.0409 1119.2 8.5 scans 83% 57 m/z (267) 0.26% 0.311% 2228 1.2 302 141587 11886171 10486825 5-4 20: 57 41 56 55 98 43 70 44 82 69 68 95 81 67 96 39 42 71 54 45 0.997 16.82 96.8 77 97 98 98 124 18.1 0.360 0.226 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2298 1127.2 9.7 scans 83% TIC 0.31% 0.127% 2260 1.0 219 118988 4861826 4689922 1-0 0.948 16.97 102.5 78 97 96 100 128 51.7 5.571 0.262 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN M4942-N1008 ?? Phenylethyl Alcohol 17.3048 1130.3 >14 scans 42% 124 m/z 0.28% 0.133% 2273 1.9 195 129290 0.277% 5111301 4934443 10586057 0-3 11: 124 121 109 88 49 119 96 73 60 125 53 0.404 17.89 -193.9 67 89 37 88 122 101.3 26.910 -0.584 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1074 Benzeneethanol 17.3266 1131.2 10.9 scans 87% 91 m/z 0.072% 0.382% 2277 1.2 320 512153 14615634 13690316 6-4 19: 91 92 122 65 77 63 51 93 39 78 123 50 90 103 74 66 104 38 79 0.986 17.05 105.2 80 99 97 100 122 108.1 11.402 0.275 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2617 1170.7 9.7 scans 64% 73 m/z 0.70% 0.0532% 2435 1.5 122 52840 2033652 1727981 3-8 20: 73 267 355 268 269 133 223 357 74 358 191 155 339 179 325 59 252 205 265 177 0.851 18.13 -161.0 78 99 83 98 355 52.2 18.366 0.131 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN M4942-N1002 ? Pyranone 18.4860 1180.2 10.9 scans 49% 144 m/z (134) 2.0% 0.0278% 2473 1.1 84 18557 1064289 937906 1-6 10: 144 43 44 101 72 282 73 45 115 283 0.883 20.04 -210.3 73 98 89 97 144 37.8 20.483 -1.556 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.4860 1180.2 10.9 scans 46% 144 m/z 2.0% 0.0222% 2473 1.1 80 18554 851488 750375 1-6 10: 144 43 44 101 72 282 73 45 115 283 0.897 18.22 136.7 74 96 82 95 144 37.8 22.166 0.265 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.8987 1197.7 8.2 scans 59% 98 m/z 1.9% 0.0321% 2543 1.0 113 19627 1229902 1152135 1-1 19: 98 69 111 55 43 82 41 125 83 97 70 39 95 107 80 84 53 81 71 0.795 18.71 146.9 74 96 81 97 153 5.7 0.000 0.193 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0044 1202.1 8.7 scans 66% 70 m/z 1.3% 0.0560% 2561 1.2 141 27014 2140714 1936445 1-3 20: 70 55 83 41 43 57 69 84 39 56 96 81 93 67 97 95 53 72 98 68 0.851 18.83 149.4 74 97 91 99 122 10.9 0.000 0.174 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2865 1214.0 8.4 scans 51% 82 m/z 1.2% 0.0166% 2608 1.1 81 29103 634915 600278 1-4 10: 82 81 43 39 97 53 83 95 38 111 0.856 19.12 156.9 77 100 88 99 97 13.4 0.000 0.166 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.9129 1240.5 10.4 scans 24% 119 m/z (133) 1.6% 0.0171% 2715 0.9 66 23147 655447 581602 3-7 6: 119 91 128 65 120 113 0.618 13.76 41.0 71 81 71 81 134 24.3 13.716 6.156 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1004 Dodecane 20.4501 1261.6 >15 scans 22% 57 m/z 4.1% 0.00641% 2806 1.5 44 8976 244951 232233 0-3 7: 57 85 99 43 127 98 56 0.714 20.32 3.9 84 88 58 84 170 6.5 0.000 0.130 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1034 ? Decanal 20.6461 1267.5 8.4 scans 71% 57 m/z 0.57% 0.143% 2839 0.8 218 65452 5475753 4908061 3-2 19: 57 41 55 82 70 71 68 44 112 83 56 81 69 67 42 96 84 54 39 0.907 20.57 -139.5 78 99 91 98 138 12.7 0.340 0.077 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1064 ?? Benzoic acid 20.7299 1270.0 >22 scans 41% 122 m/z (281) 2.1% 0.0336% 2853 1.1 66 17596 1286387 1108465 2-3 7: 122 51 50 87 75 114 74 0.930 20.03 199.3 69 93 90 93 122 35.0 28.516 0.701 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.1112 1281.4 9.4 scans 25% TIC 1.0% 0.0708% 2918 1.0 152 37345 2708964 2519407 2-1 0.320 32.87 21.1 60 64 42 62 206 0.0 0.000 -11.762 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1136 1281.5 8.9 scans 69% 137 m/z (88) 0.39% 0.205% 2918 1.0 253 93915 7867796 7317421 2-2 19: 137 152 109 123 81 67 91 95 79 41 93 107 39 55 119 65 53 51 153 0.830 21.00 196.2 67 91 72 89 155 0.0 0.000 0.113 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1042 ?? Phytol 21.3727 1289.3 8.8 scans 29% 57 m/z (135) 6.4% 0.0106% 2962 1.5 55 5812 407102 352789 2-1 6: 57 71 124 126 96 81 0.764 35.35 -8.1 65 78 68 76 196 0.0 0.000 -13.974 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.4418 1291.4 8.8 scans 35% 267 m/z (100) 2.8% 0.00772% 2973 5.6 62 13302 0.0163% 295052 255091 622934 0-7 9: 267 282 223 265 150 179 207 194 165 0.700 12.25 138.3 67 91 57 92 281 32.5 27.760 9.191 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9696 1337.2 8.8 scans 74% 69 m/z (57) 0.24% 0.190% 3233 1.2 237 154309 7272806 6595675 3-3 12: 69 43 109 86 41 110 128 95 67 39 58 59 0.917 22.91 223.6 73 96 90 97 127 30.8 1.685 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.6550 1357.8 14.4 scans 80% 60 m/z (117) 0.30% 0.316% 3348 0.3 250 122950 12101156 11281511 1-2 20: 60 73 57 115 41 55 129 43 69 98 61 87 45 39 42 83 56 101 74 70 0.964 25.35 208.6 75 95 93 99 162 0.0 0.000 -1.699 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.6550 1357.8 14.4 scans 78% 60 m/z 0.30% 0.274% 3348 0.3 247 121107 10489601 9779111 1-2 20: 60 73 57 115 41 55 129 43 69 98 61 87 45 39 42 83 56 101 74 70 0.958 22.70 -117.5 76 96 94 99 158 16.8 0.463 0.959 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1006 Tridecane 23.8946 1365.1 8.6 scans 41% 57 m/z (123) 1.8% 0.0257% 3389 1.1 86 20496 983047 890593 2-3 7: 57 71 85 56 70 42 98 0.745 23.86 1.1 85 95 83 92 184 9.6 0.000 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1038 ? Contamination 24.09min 24.1408 1373.3 7.2 scans 55% 73 m/z (85 152) 0.40% 0.0672% 3431 1.0 163 92035 2571868 2435819 2-2 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 75 148 345 193 432 433 295 0.911 24.09 242.5 75 99 92 99 429 44.3 7.432 0.047 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1408 1373.3 7.2 scans 51% 73 m/z 0.41% 0.0604% 3431 1.0 157 89836 2309342 2187180 2-2 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 75 148 345 193 432 433 295 0.860 24.17 -150.5 79 99 85 98 429 44.8 8.132 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.6089 1389.0 8.1 scans 67% 71 m/z (121) 0.95% 0.0489% 3510 1.1 129 39232 1870511 1749462 3-3 17: 71 57 85 43 41 70 113 84 99 55 127 56 155 72 126 42 86 0.949 24.54 251.7 73 96 94 99 169 13.0 1.009 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.8014 1395.4 14.5 scans 53% 43 m/z (71) 1.6% 0.0406% 3543 0.6 93 22024 1553558 1440557 2-2 20: 43 83 82 122 113 55 41 128 56 85 58 93 111 40 164 142 107 91 149 105 0.863 24.70 255.8 68 92 88 96 170 2.0 0.000 0.105 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9384 1400.0 13.1 scans 32% 71 m/z 2.3% 0.0141% 3566 2.0 66 15731 542015 513306 1-1 15: 71 57 85 43 127 56 70 113 55 84 99 112 126 137 141 0.675 20.36 -0.2 62 69 60 68 170 0.0 0.000 4.580 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2500 1410.4 9.2 scans 40% TIC 0.60% 0.0224% 3619 0.9 90 61822 856977 764375 3-2 0.583 25.24 -149.5 76 100 92 99 145 31.8 12.514 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5553 1420.6 >22 scans 98% 84 m/z 0.0049% 15.7% 3671 0.2 1554 7547751 600689274 590676103 0-1 20: 84 119 92 118 65 78 104 77 55 41 132 79 81 64 83 80 144 107 145 89 1.000 25.89 263.6 79 98 98 98 162 423.3 7.426 -0.337 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1102 1472.5 6.9 scans 22% 221 m/z (168) 5.2% 0.00495% 3934 0.9 45 7107 189430 170415 1-2 14: 221 73 147 267 131 355 222 283 223 282 148 357 75 356 0.749 27.12 297.6 67 93 70 90 355 8.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1899 1475.2 8.1 scans 71% 57 m/z (58) 0.56% 0.0714% 3948 1.1 157 65776 0.115% 2729777 2617631 4394933 1-0 16: 57 71 85 43 41 55 56 70 99 42 98 127 198 113 112 153 0.970 27.21 -0.6 95 98 97 98 198 19.0 1.460 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1032 ? Myosmine 27.9797 1504.8 15.8 scans 61% 118 m/z (82) 0.49% 0.115% 4081 2.3 151 75107 4426961 4289232 1-1 19: 118 146 145 105 78 109 104 51 119 76 42 65 117 63 39 41 77 37 68 0.942 27.93 318.1 76 99 95 99 146 66.0 19.022 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.4042 1520.7 8.6 scans 14% 80 m/z (71) 4.3% 0.00546% 4153 1.1 42 8590 208744 191224 1-1 6: 80 171 136 138 78 172 0.498 28.39 327.3 63 95 76 93 171 18.4 19.116 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6728 1530.8 8.2 scans 73% 43 m/z (166) 0.14% 0.288% 4199 1.0 306 262304 0.303% 11008436 9654884 11579694 0-11 19: 43 69 41 136 151 107 67 125 93 53 83 109 121 81 39 68 108 79 161 0.961 28.67 333.4 77 99 96 99 194 20.0 0.427 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1049 1547.1 7.8 scans 68% 71 m/z 0.16% 0.250% 4272 1.0 322 230410 0.333% 9589626 8802566 12726198 2-0 20: 71 57 43 85 41 70 55 113 141 56 112 99 177 220 69 84 183 97 42 140 0.864 29.10 343.2 70 93 89 91 227 6.6 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5293 1563.0 7.2 scans 44% 73 m/z 0.39% 0.0831% 4344 1.1 182 94732 3177357 2941565 2-1 20: 73 281 147 327 282 341 415 283 503 221 328 148 74 329 505 504 325 342 417 400 0.930 29.61 -150.1 79 99 90 98 503 26.5 2.116 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1022 ? Nicotyrine 29.6604 1568.0 11.3 scans 46% 158 m/z (177) 0.034% 1.08% 4366 0.8 518 1081851 41543994 37695774 3-2 20: 158 157 130 116 89 63 156 90 104 143 42 142 62 80 50 64 129 76 102 75 0.911 29.68 355.4 76 99 90 99 158 293.0 31.999 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7761 1572.3 7.9 scans 72% 123 m/z 0.033% 0.483% 4386 1.0 422 1112405 18484963 16824989 1-3 17: 123 43 135 124 107 95 91 109 79 77 39 81 97 53 93 67 105 0.913 29.77 358.3 79 99 90 99 193 35.1 0.693 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1746 1587.3 7.8 scans 69% 57 m/z (163) 0.40% 0.130% 4453 1.1 216 92378 0.196% 4998452 4836017 7490495 1-0 20: 57 85 71 43 41 99 55 113 84 56 70 127 69 98 155 156 42 141 83 112 0.950 30.38 -7.6 81 83 94 86 212 3.2 0.000 -0.202 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5040 1600.2 7.9 scans 72% 191 m/z 0.050% 0.329% 4509 1.0 351 733759 12606743 11706041 2-6 19: 191 206 192 57 163 74 175 115 91 88 107 207 73 77 128 147 161 117 105 0.948 30.50 375.4 80 99 93 99 206 96.3 7.506 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8275 1613.8 8.2 scans 37% 124 m/z (71) 1.3% 0.0305% 4564 0.9 101 26907 1168115 1060522 3-5 5: 124 137 180 138 54 0.953 30.81 384.4 69 91 84 96 180 25.7 6.494 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8830 1616.2 9.5 scans 58% 162 m/z (55) 0.83% 0.0843% 4573 1.3 158 44480 3224611 3088900 1-2 15: 162 147 161 106 119 163 165 77 104 131 145 149 115 65 78 0.895 30.88 0.2 88 90 77 97 204 17.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9396 1618.5 8.5 scans 10% 171 m/z (176) 3.1% 0.00726% 4583 1.1 47 11863 0.00775% 277709 249677 296180 2-0 3: 171 172 173 0.927 30.93 0.5 87 91 78 91 171 30.7 42.923 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2236 1630.5 11.5 scans 75% TIC 0.062% 0.906% 4631 0.6 476 602085 34649743 31418581 2-3 0.881 31.18 395.5 76 98 89 98 180 107.7 5.123 0.046 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5247 1643.1 9.4 scans 78% 43 m/z (185) 0.20% 0.213% 4682 0.8 255 183319 8148537 7747288 1-1 20: 43 98 111 166 55 151 71 82 41 127 83 57 67 123 39 107 81 59 58 99 0.940 31.52 0.4 96 98 95 100 166 50.8 3.975 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7927 1654.4 8.7 scans 20% 193 m/z (43 139) 1.7% 0.0148% 4727 0.9 68 21836 566024 526024 2-2 3: 193 208 194 0.729 31.80 -0.1 67 76 40 82 208 15.3 5.077 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9178 1659.6 8.1 scans 55% TIC 0.98% 0.0353% 4748 1.1 136 37894 1351185 1228576 1-1 0.866 31.92 -0.1 75 79 74 81 219 3.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0689 1666.0 7.1 scans 28% 221 m/z 1.0% 0.0252% 4774 1.1 101 35028 966195 856191 2-8 16: 221 73 147 222 295 355 281 356 148 167 207 208 267 297 342 223 0.838 32.08 -0.4 95 97 81 96 355 17.4 2.989 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2360 1673.0 8.9 scans 58% 57 m/z (146) 0.50% 0.122% 4802 1.3 187 73756 0.161% 4668690 4401499 6152907 1-0 19: 57 43 71 85 41 183 99 55 56 149 113 182 42 69 70 108 97 211 196 0.939 32.24 -0.1 84 90 90 90 226 9.0 0.234 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4356 1681.4 12.5 scans 36% 57 m/z 0.76% 0.0451% 4836 1.0 121 48904 1724896 1658816 0-1 20: 57 197 71 56 196 41 55 113 127 111 42 67 86 123 83 97 141 93 109 152 0.630 32.44 -0.3 79 84 63 81 226 4.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6734 1691.4 9.0 scans 64% 205 m/z (191) 1.8% 0.100% 4876 1.0 175 20265 3839458 3517478 2-4 15: 205 91 119 105 93 79 159 162 107 135 146 106 131 120 133 0.939 32.67 -0.1 94 97 92 97 220 10.8 0.381 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8612 1699.3 7.7 scans 21% 70 m/z (149) 1.6% 0.0225% 4909 1.4 83 21975 863499 728295 10-3 2: 70 201 0.742 32.87 -0.2 71 85 77 83 186 3.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.8 scans 52% 71 m/z (177) 0.26% 0.0696% 4920 0.8 150 141164 2660762 2300264 3-8 10: 71 43 159 243 155 72 173 215 89 73 0.954 32.93 -0.1 93 96 90 99 243 22.9 2.340 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0879 1708.8 8.4 scans 26% TIC 3.2% 0.0108% 4947 1.1 84 11663 415492 377719 1-1 0.625 33.09 0.1 87 95 71 91 224 2.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 7.4 scans 73% 57 m/z (165) 0.34% 0.117% 4983 0.9 209 107107 4478900 4231314 3-1 19: 57 71 85 43 41 55 99 56 70 113 226 69 42 84 98 83 183 112 140 0.977 33.37 -2.9 96 99 97 99 226 23.6 1.278 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8293 1727.3 8.0 scans 21% 217 m/z 0.89% 0.0180% 5072 1.2 80 41532 689002 640925 4-2 15: 217 232 218 145 157 189 115 128 103 161 122 233 174 130 173 0.783 33.83 452.6 68 91 58 93 232 35.9 20.374 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8931 1728.2 7.6 scans 57% 71 m/z (94) 0.95% 0.0561% 5083 0.9 141 38946 2145894 1928438 8-1 13: 71 43 57 85 70 197 168 99 113 196 56 225 42 0.925 33.90 -0.1 89 94 93 98 197 25.2 3.204 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2650 1733.6 8.9 scans 30% 57 m/z (173) 2.0% 0.0194% 5146 1.0 79 18471 743224 679278 0-1 19: 57 71 43 211 85 184 41 98 55 183 67 169 220 96 210 127 141 69 113 0.826 34.27 -0.0 87 96 88 95 211 15.4 3.804 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3653 1735.0 8.0 scans 95% 73 m/z 0.016% 2.92% 5163 0.8 1025 2283145 111910099 106120491 2-2 20: 73 355 147 281 401 282 415 74 267 207 283 148 403 223 358 325 416 133 191 131 0.995 34.39 452.0 81 100 99 100 415 112.1 1.195 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7774 1740.9 12.2 scans 85% 91 m/z 0.042% 1.00% 5233 0.4 498 877888 38313543 37118114 2-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 77 39 134 64 156 200 51 0.979 34.79 451.9 80 99 97 99 199 140.0 7.889 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8972 1742.6 7.9 scans 33% 68 m/z (71) 1.5% 0.0426% 5253 1.3 117 23383 1628035 1397727 3-4 2: 68 224 0.913 34.90 -0.1 93 98 95 99 224 15.2 1.688 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6883 1753.9 8.5 scans 42% 193 m/z (71) 0.64% 0.0710% 5387 1.1 151 57841 2714813 2543607 2-2 17: 193 209 175 121 105 210 91 167 77 165 181 79 149 133 194 176 103 0.932 35.70 451.2 73 95 87 97 224 18.8 1.535 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9303 1757.4 9.4 scans 52% 91 m/z (85 72) 0.64% 0.132% 5428 1.3 195 57999 5062304 4586061 1-4 15: 91 148 97 65 105 199 93 145 106 156 133 187 119 44 131 0.905 35.94 451.0 69 95 84 95 238 6.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1027 1759.8 8.6 scans 64% 71 m/z 0.20% 0.209% 5457 1.3 284 182455 8020634 7377036 1-2 20: 71 85 57 43 99 113 69 127 55 155 70 84 83 141 56 111 112 169 72 126 0.886 29.94 543.4 71 92 87 97 254 0.0 0.000 6.162 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1186 ?? Cotinine 36.1859 1761.0 9.9 scans 10% 98 m/z (78) 1.6% 0.0133% 5471 1.1 57 22557 508655 448692 2-1 9: 98 176 118 175 119 121 92 117 51 0.575 36.19 -88.8 65 92 60 89 176 26.4 21.713 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5070 1765.6 7.2 scans 15% 221 m/z (91) 1.6% 0.0381% 5526 0.9 120 22708 1458720 1345714 2-3 11: 221 73 147 295 281 341 212 296 369 148 370 0.688 36.58 449.1 61 86 44 94 369 14.1 1.372 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1954 1775.5 8.1 scans 16% 209 m/z 1.1% 0.0188% 5642 1.0 83 33566 720255 660959 3-1 13: 209 224 181 210 165 167 179 178 105 212 194 103 182 0.711 37.20 449.2 70 95 63 93 224 31.2 14.254 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0555 1787.8 8.2 scans 57% 57 m/z 0.51% 0.0713% 5788 0.9 169 72264 2727201 2450550 1-2 20: 57 71 85 43 225 56 41 55 99 127 69 141 113 70 83 98 42 224 155 226 0.847 38.06 448.1 75 98 85 96 225 31.5 3.451 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5620 1795.0 9.2 scans 93% 73 m/z 0.025% 1.86% 5874 1.0 763 1492552 71428339 67478053 2-2 20: 73 147 221 429 355 281 430 341 207 431 356 222 74 357 401 148 295 267 342 223 0.987 38.59 446.9 80 99 98 99 429 199.0 6.806 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8259 1798.8 11.9 scans 49% 57 m/z (127) 0.87% 0.0685% 5918 0.7 128 42610 2620890 2394103 1-1 16: 57 41 182 56 84 70 42 112 140 67 183 168 69 54 68 114 0.942 38.91 -1.2 89 94 90 92 254 12.2 0.000 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1222 1826.3 8.1 scans 14% 159 m/z (241) 8.1% 0.00620% 5969 0.7 46 4605 237048 212021 2-3 9: 159 105 161 131 119 93 187 120 162 0.750 39.14 469.6 66 92 63 90 272 5.8 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.9310 1926.6 >22 scans 96% 95 m/z 0.013% 18.5% 6106 0.1 1697 2765190 707620772 690986217 0-6 20: 95 68 82 123 81 55 69 43 67 41 83 97 109 96 71 124 111 79 110 137 1.000 39.94 557.5 81 100 100 100 278 110.2 0.422 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9699 1931.4 >4 scans 70% TIC 0.28% 0.114% 6112 3.2 283 131718 4374341 3922690 0-9 0.936 39.88 563.1 75 96 92 96 250 27.9 0.969 0.087 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 39.9705 1931.5 >5 scans 40% 58 m/z 0.35% 0.0724% 6113 1.7 212 106492 2769495 2579021 0-3 12: 58 59 43 71 109 110 250 124 165 125 179 113 0.829 39.98 561.8 67 87 89 95 268 7.5 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3359 1976.8 7.8 scans 46% 149 m/z (121) 0.22% 0.0592% 6174 1.2 146 168545 2263559 2112094 2-2 7: 149 150 104 76 167 205 132 0.974 40.31 601.9 76 99 95 98 223 29.9 4.212 0.031 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N406_R~1-N1110 Phytol 40.3914 1983.7 >9 scans 43% TIC 1.3% 0.0205% 6184 1.0 133 26685 0.0889% 783751 783751 3397474 0-0 0.761 40.66 -33.5 83 90 71 88 278 15.5 1.353 -0.271 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6004 2009.6 6.6 scans 16% 221 m/z (185) 5.0% 0.00665% 6219 1.1 52 7409 254494 231185 2-5 14: 221 73 147 207 281 222 369 296 148 297 341 283 282 231 0.840 40.63 629.5 67 94 79 93 369 8.9 2.937 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1254 Phytol 40.8483 2040.3 7.7 scans 69% 82 m/z (184) 1.1% 0.0922% 6261 1.2 182 31212 3524576 3254185 2-3 12: 82 81 95 68 123 79 96 67 124 278 109 137 0.967 40.87 -2.4 94 98 97 98 278 21.3 1.379 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BQLD_R~1-N1056 ? Homosalate 41.0065 2059.9 8.5 scans 25% 138 m/z 2.2% 0.0154% 6288 1.3 78 16306 590862 531750 1-1 11: 138 120 109 124 121 92 139 82 262 93 122 0.750 41.00 674.1 76 99 74 97 262 11.1 1.999 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.1063 2072.3 9.3 scans 49% 109 m/z (182) 2.4% 0.0596% 6305 1.1 134 15517 2279692 2129091 1-2 18: 109 81 262 95 123 43 121 149 177 107 137 135 93 41 82 164 136 122 0.838 41.13 684.5 74 99 88 98 262 25.5 3.637 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2462 2089.6 8.8 scans 15% 79 m/z 3.1% 0.00997% 6328 1.2 66 11911 381172 356611 1-1 17: 79 97 67 55 41 80 93 95 87 94 54 107 78 134 56 84 65 0.289 41.26 -1.4 77 84 36 79 264 6.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5054 2120.3 11.6 scans 92% TIC 0.061% 2.28% 6372 0.3 775 605039 87376212 81753366 2-2 0.989 41.49 -76.3 86 100 98 100 276 50.5 0.424 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6400 2127.8 9.3 scans 49% 69 m/z (43) 0.54% 0.0890% 6395 0.8 159 68715 3405019 3021284 3-2 19: 69 93 81 41 67 107 79 95 146 121 68 91 161 53 77 123 109 257 134 0.936 41.75 730.3 71 95 90 93 272 2.7 0.000 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 41.9948 2147.7 8.1 scans 75% TIC 0.14% 0.239% 6455 1.1 305 255525 9144668 8461431 2-2 0.908 42.01 745.7 79 99 92 98 272 3.2 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3336 2166.7 8.1 scans 71% 73 m/z 0.26% 0.132% 6513 1.1 217 140342 5066027 4759455 2-3 20: 73 147 221 355 281 429 207 282 503 222 74 148 283 430 327 356 504 415 223 341 0.909 42.37 757.7 76 96 91 99 503 30.1 1.931 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3602 2168.2 10.4 scans 16% 105 m/z (73) 6.1% 0.0240% 6517 1.2 83 6071 917858 875722 3-5 12: 105 187 135 106 146 272 326 65 53 123 120 266 0.647 42.40 -2.2 84 92 56 88 272 7.5 0.000 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9865 2203.4 8.1 scans 49% 82 m/z (190) 0.34% 0.0644% 6623 1.1 149 107281 2462311 2319185 2-2 10: 82 95 81 109 96 94 137 53 292 153 0.804 43.03 781.3 65 94 81 92 292 15.6 1.100 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N406_R~1-N1112 ? Phyllocladene 43.1506 2212.6 8.5 scans 33% 189 m/z (83) 3.5% 0.0229% 6651 1.1 88 10430 875823 827037 3-1 7: 189 161 134 252 272 253 225 0.758 43.24 -4.8 77 84 50 89 272 15.4 3.080 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3035 2221.2 10.5 scans 69% 263 m/z (159) 0.35% 0.133% 6677 1.4 176 106265 5099105 4506996 2-3 19: 263 278 264 57 157 279 147 203 128 187 115 129 119 161 185 91 130 124 110 0.908 43.31 -0.2 77 80 63 80 278 47.1 7.148 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1262 ? Diterpene 43.6min 43.5326 2234.1 9.3 scans 23% 216 m/z (264) 6.4% 0.0113% 6716 0.7 55 5782 433651 356996 2-1 17: 216 134 119 67 201 148 217 136 55 137 108 123 68 94 105 124 147 0.702 43.55 -1.1 71 82 46 76 272 4.9 0.000 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1020 ?? Icosane 43.8460 2251.7 7.9 scans 47% 57 m/z (205) 2.3% 0.0258% 6769 1.3 92 16073 987180 887058 1-4 20: 57 71 85 43 127 55 99 155 41 239 113 126 169 84 268 69 141 140 111 83 0.872 43.94 -5.0 64 78 82 81 282 3.4 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1240 ?? Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0308 2262.2 8.8 scans 4.1% 109 m/z (278 97) 24% 0.000834% 6800 1.0 18 1530 31855 31855 0-0 6: 109 121 191 91 135 93 0.418 44.05 -1.3 68 84 33 79 272 0.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1238 ?? Trachylobane 44.1347 2268.1 >11 scans 14% TIC 19% 0.00151% 6818 999.0 35 1911 0.00234% 57810 49404 89427 0-6 0.416 44.15 -1.2 69 81 39 79 272 4.3 1.533 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN N419_R~1-N1158 ?? Manool oxide 44.2658 2275.7 8.2 scans 12% 137 m/z (221) 21% 0.00322% 6840 1.2 34 1746 123084 111446 1-1 11: 137 257 95 125 67 192 107 123 81 275 135 0.455 43.83 838.1 60 94 46 90 275 11.0 10.627 0.439 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2935 2277.3 7.1 scans 13% 221 m/z (137) 9.8% 0.00298% 6844 0.9 34 3779 114042 111995 2-0 6: 221 207 295 147 222 148 0.668 44.32 830.0 63 96 70 92 369 6.9 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1234 Thunbergol 45.1519 2326.7 9.0 scans 44% TIC 1.3% 0.0768% 6990 1.4 156 26949 2938515 2579365 3-4 0.555 44.90 14.5 86 90 53 87 272 13.9 0.794 0.251 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7829 2363.0 7.7 scans 33% 73 m/z 2.0% 0.0142% 7097 1.2 73 18635 546240 511723 4-2 19: 73 355 147 221 356 222 281 74 295 357 207 341 415 327 208 430 223 205 75 0.756 45.78 0.4 87 89 69 87 503 6.3 0.747 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.0911 2380.7 8.2 scans 70% 79 m/z (124) 1.1% 0.0719% 7149 1.2 153 33765 2749423 2461880 2-6 20: 79 93 95 67 80 108 81 91 55 41 107 121 94 77 135 149 109 122 78 87 0.931 46.13 -2.5 93 98 94 97 292 11.0 0.523 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4152 2399.4 8.8 scans 53% 177 m/z (123) 2.0% 0.0299% 7204 1.2 98 18484 1145712 1020352 3-2 9: 177 133 121 107 290 93 137 135 119 0.860 46.49 -4.6 93 97 82 95 290 13.2 1.835 -0.080 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.6159 2410.9 8.6 scans 24% 155 m/z (177) 8.7% 0.00582% 7238 0.8 42 4282 222517 196270 2-0 20: 155 71 84 127 57 82 111 85 69 113 43 110 125 83 97 41 42 58 55 79 0.624 46.28 19.2 67 76 62 72 296 0.0 0.000 0.334 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7558 2419.0 8.4 scans 16% 87 m/z (117) 5.6% 0.00464% 7262 1.1 38 6574 177573 157363 4-9 10: 87 143 298 75 88 74 255 199 59 101 0.663 46.76 923.9 63 91 58 86 298 9.2 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.2581 2447.9 8.3 scans 45% 134 m/z (98) 6.0% 0.0134% 7347 0.8 66 6201 514155 468685 2-2 8: 134 119 191 84 148 105 93 178 0.809 47.36 -5.6 84 92 75 90 272 6.7 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN TAB_REP1-N1222 ? Sclareol 47.9min 47.9134 2485.6 8.7 scans 15% 134 m/z (83) 12% 0.00299% 7458 1.2 29 3010 114501 96818 5-7 5: 134 123 119 107 191 0.437 47.95 -2.0 78 89 39 83 272 4.0 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9229 2543.7 8.1 scans 46% 73 m/z 3.4% 0.00777% 7629 1.3 53 10698 297035 284450 5-3 15: 73 147 430 355 429 281 357 74 401 295 356 325 148 283 267 0.708 48.95 993.3 75 98 66 95 429 14.3 7.390 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N528_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6078 2870.8 9.2 scans 38% 73 m/z 3.9% 0.00703% 8592 1.4 47 9426 268697 234550 4-5 18: 73 356 221 147 341 355 281 430 357 431 223 282 295 131 191 75 74 503 0.563 45.81 1394.3 68 94 56 90 503 5.9 0.000 8.796 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1292 771.8 >23 scans 57% 77 m/z 0.36% 0.0480% 41 2.5 120 168574 3622988 3436147 1-1 10: 77 45 78 79 62 76 75 63 47 61 0.940 4.37 17.8 99 99 91 99 77 107.4 79.722 -0.242 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1016 ?? Pivalic acid 6.1150 823.5 16.6 scans 61% 57 m/z (56) 1.5% 0.0174% 377 0.4 83 38486 0.0229% 1313344 1243785 1727654 1-0 10: 57 87 41 59 39 60 102 53 38 86 0.873 6.03 -138.1 67 90 86 96 102 9.1 1.214 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5159 833.9 15.1 scans 58% 207 m/z (95) 0.59% 0.0391% 446 2.8 111 102192 2950754 2747398 1-2 19: 207 96 208 209 191 133 192 163 177 67 119 103 89 38 147 165 149 81 135 0.845 6.53 -142.9 77 100 85 99 207 83.6 56.897 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6263 862.8 8.7 scans 86% TIC 1.1% 0.0572% 633 2.4 172 53341 4317908 4122179 1-2 0.976 7.71 7.5 100 99 97 99 98 36.6 4.505 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.4269 987.8 >7 scans 33% 94 m/z 2.5% 0.00414% 1447 999.0 60 23805 0.00855% 312531 275827 645041 0-2 12: 94 282 249 38 109 133 40 251 50 96 77 74 0.554 12.22 41.5 91 98 87 99 281 40.4 45.836 0.207 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6571 993.8 10.3 scans 52% 81 m/z 0.38% 0.0655% 1486 2.0 165 156592 4949032 4629307 1-3 20: 81 110 53 39 79 67 41 68 82 51 77 65 66 95 54 50 40 52 109 63 0.847 13.22 30.2 93 95 83 98 110 51.0 9.506 -0.565 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9139 1000.5 7.7 scans 44% 84 m/z (109) 6.0% 0.0112% 1529 1.4 81 10029 851888 801374 1-5 17: 84 41 57 56 55 82 44 69 42 85 67 39 71 68 54 95 100 0.946 12.96 -174.3 65 91 89 90 110 4.6 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1040 ?? Decane 13.2787 1010.4 9.0 scans 2.9% 57 m/z (91) 11% 0.00212% 1591 0.6 31 5548 160378 138994 2-2 5: 57 85 71 99 98 0.672 12.90 10.4 61 79 57 76 142 0.0 0.000 0.381 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1016 Limonene 13.8897 1026.9 8.6 scans 41% TIC 2.5% 0.0118% 1694 1.2 95 24220 895951 833917 1-1 0.600 13.89 51.6 82 98 79 97 136 19.8 4.360 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1872 1035.0 >17 scans 66% 79 m/z 1.3% 0.0400% 1744 0.9 117 45732 0.0552% 3024524 2856018 4164475 0-2 19: 79 108 77 107 52 63 91 78 80 51 50 89 65 90 75 49 74 62 106 0.925 14.11 56.0 90 99 92 99 108 53.8 21.192 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4346 1041.7 10.0 scans 92% TIC 0.10% 0.191% 1787 1.7 291 598974 14441303 13008776 2-4 0.983 14.44 56.9 91 100 98 100 120 94.0 10.457 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1695 1061.6 23.5 scans 76% TIC 0.12% 0.216% 1911 1.2 308 492393 0.361% 16367077 15254648 27235063 8-0 0.975 15.17 64.2 89 100 97 100 123 107.2 12.108 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2280 1063.2 16.0 scans 40% 94 m/z (105) 0.30% 0.130% 1921 0.7 201 201076 9833917 9375148 1-3 12: 94 109 66 110 95 38 39 67 40 80 53 64 0.909 16.11 -207.0 77 99 94 99 109 107.8 28.817 -0.881 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN 98-86-2 ? Acetophenone 15.2557 1063.9 >11 scans 52% 105 m/z 0.21% 0.106% 1926 1.4 229 287557 8061066 7069874 1-3 20: 105 120 77 51 78 106 50 121 76 89 74 62 107 108 75 91 46 104 41 86 0.957 15.29 -181.8 77 96 90 98 120 78.1 11.675 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4245 1068.5 9.7 scans 65% TIC 0.31% 0.0781% 1954 1.4 218 191561 5893140 5255101 2-1 0.921 15.43 66.8 88 100 95 100 124 65.0 8.881 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1002 Undecane 16.5904 1100.1 9.0 scans 68% 57 m/z (209) 1.7% 0.0249% 2152 1.2 113 35449 1885396 1661629 2-2 19: 57 71 43 85 41 70 56 42 84 55 98 97 127 126 69 99 44 39 40 0.923 16.59 0.1 89 96 93 95 156 9.5 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7705 1107.8 8.4 scans 83% 57 m/z (85) 0.46% 0.143% 2183 1.4 271 132697 10858261 9469487 7-4 20: 57 41 56 55 98 44 70 68 69 82 95 96 67 81 39 42 54 45 83 72 0.987 16.82 85.4 79 97 97 97 124 16.6 0.376 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9559 1115.6 10.1 scans 53% TIC 0.73% 0.0405% 2214 1.2 154 83018 3055821 2834155 1-1 0.718 16.97 90.9 76 98 88 98 128 35.4 5.242 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0669 1120.3 >16 scans 35% TIC 1.9% 0.0130% 2233 3.8 79 30668 985794 930102 0-2 0.889 17.05 94.3 77 96 90 98 122 24.4 9.653 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 17.3620 1132.7 >12 scans 10% TIC 14% 0.000994% 2283 999.0 32 4189 0.00239% 75026 70125 180310 0-1 0.370 21.00 47.4 66 82 34 79 155 0.0 0.000 -3.639 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0828 1163.2 9.4 scans 70% 73 m/z 0.64% 0.0434% 2405 1.3 151 95202 3281198 3055847 2-2 20: 73 355 267 356 357 269 251 179 191 249 237 268 163 270 192 154 45 162 59 325 0.885 18.13 -168.5 79 99 85 98 355 65.0 18.614 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3732 1175.5 7.2 scans 4.2% 281 m/z (125) 10% 0.000858% 2454 1.2 23 5709 0.000906% 64744 62850 68352 1-1 6: 281 207 191 265 282 193 0.617 12.25 22.4 79 94 52 92 281 19.8 71.779 6.122 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1018 Pyranone 18.5002 1180.8 15.6 scans 89% TIC 0.12% 0.491% 2475 0.6 407 477777 37056331 34072178 1-3 0.967 18.22 137.3 80 99 96 99 144 175.4 18.549 0.279 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN M4942-N1002 Pyranone 18.5002 1180.8 15.7 scans 86% 144 m/z 0.13% 0.484% 2475 0.4 401 460731 36587027 33585456 1-5 20: 144 43 101 44 72 55 45 73 115 145 42 74 54 102 116 71 85 59 53 146 0.969 20.04 -209.7 80 99 95 99 144 172.4 18.445 -1.542 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6973 1189.2 9.7 scans 44% TIC 5.7% 0.00536% 2509 1.0 76 10627 404667 404667 0-0 0.751 18.71 138.4 73 98 79 96 153 2.3 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8278 1194.7 9.2 scans 61% 70 m/z 1.6% 0.0415% 2531 1.0 154 36348 3131610 2975589 1-3 20: 70 41 55 83 43 69 57 39 84 96 56 81 42 98 67 97 68 72 111 54 0.892 18.83 142.0 74 97 94 97 122 11.5 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9966 1201.8 8.0 scans 45% 57 m/z 2.4% 0.0125% 2560 0.9 90 24841 948492 856986 2-2 13: 57 71 85 41 126 127 99 42 56 69 70 58 113 0.866 29.94 -14.6 79 81 75 79 254 0.0 0.000 -10.944 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1236 1207.2 8.5 scans 44% TIC 1.9% 0.00546% 2581 1.3 74 31406 411951 393271 1-0 0.760 19.12 150.1 75 100 81 99 97 12.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7540 1233.8 10.6 scans 21% 119 m/z (97) 2.0% 0.0105% 2688 1.0 67 29416 792239 719376 2-4 4: 119 91 134 120 0.852 13.76 34.3 72 81 69 80 134 22.6 11.255 5.997 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8284 1236.9 12.4 scans 81% 57 m/z 0.26% 0.154% 2700 0.7 256 231501 11627829 10475143 2-6 20: 57 45 41 75 87 56 89 59 101 100 60 55 71 44 73 132 62 77 61 33 0.965 19.81 169.4 79 98 96 100 144 0.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3337 1258.1 12.1 scans 60% 57 m/z (133) 1.3% 0.0300% 2786 0.7 110 44901 2264486 2093908 3-2 12: 57 43 41 56 155 70 69 86 42 72 98 84 0.903 20.32 0.4 91 97 89 94 170 10.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1034 ? Decanal 20.5226 1263.8 8.2 scans 80% TIC 0.57% 0.128% 2818 0.8 267 106570 9715787 8500839 3-2 0.945 20.57 -143.2 78 98 95 98 138 14.0 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1006 ? Arosol 21.0498 1279.6 9.1 scans 62% 94 m/z (137) 0.32% 0.0670% 2907 0.9 177 188785 5055943 4437583 4-2 10: 94 138 77 66 51 45 139 50 76 64 0.990 20.98 194.6 76 98 95 99 152 3.9 0.000 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1042 ?? Phytol 21.2724 1286.3 8.8 scans 22% 71 m/z (90) 5.6% 0.00762% 2946 1.1 63 10823 575050 506215 2-3 15: 71 84 57 70 111 41 85 55 126 67 95 83 112 53 72 0.896 35.35 -11.1 69 75 73 73 196 0.0 0.000 -14.075 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4495 1291.6 6.8 scans 8.0% 281 m/z 14% 0.00118% 2975 0.8 29 4229 0.00119% 89192 85785 89778 0-2 5: 281 147 369 282 283 0.611 21.56 -147.1 69 95 59 94 369 8.8 9.302 -0.109 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1064 ? Benzoic acid 21.5504 1294.6 23.6 scans 31% 105 m/z (97) 3.2% 0.0181% 2992 1.6 63 18727 1367700 1213508 5-2 4: 105 122 77 74 0.818 20.03 223.9 71 96 89 95 122 33.6 28.481 1.521 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1024 ? Hexadecane 21.7511 1300.6 7.7 scans 57% 57 m/z (119) 1.2% 0.0251% 3026 0.9 125 49528 1897333 1776019 2-1 16: 57 85 71 43 98 41 141 56 84 55 70 127 69 112 113 42 0.947 33.32 33.6 74 77 89 86 226 0.0 0.000 -11.568 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1110 Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0067 1308.3 8.2 scans 74% 175 m/z 0.072% 0.208% 3069 1.1 349 837622 15751776 14518665 5-3 19: 175 57 190 176 91 147 115 117 80 105 128 191 77 64 131 66 119 159 58 0.913 22.01 207.9 80 100 89 99 190 96.9 7.708 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9117 1335.5 11.0 scans 49% 109 m/z (71) 0.45% 0.106% 3223 1.1 210 135119 8046616 7302416 4-3 4: 109 69 86 110 0.782 22.91 221.9 66 92 82 93 127 23.8 1.282 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1006 Tridecane 23.8368 1363.2 >11 scans 47% 71 m/z 1.0% 0.0336% 3380 0.8 139 55511 2537477 2328822 1-1 18: 71 114 69 84 111 141 86 70 82 112 88 55 42 126 125 97 128 153 0.770 23.86 -0.8 82 85 76 87 184 15.4 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1016 ? Nicotine 24.0747 1371.1 15.8 scans 55% 60 m/z 0.12% 0.467% 3420 0.2 402 494145 35293081 25095734 1-9 20: 60 73 57 115 41 55 129 43 98 69 87 39 61 45 42 56 83 101 70 96 0.764 25.35 221.9 72 95 70 97 162 0.0 0.000 -1.279 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 24.0747 1371.1 15.8 scans 69% 60 m/z (341) 0.13% 0.717% 3420 0.2 453 436844 54114252 38478842 1-9 20: 60 73 57 115 41 55 129 43 98 69 87 39 61 45 42 56 83 101 70 96 0.955 22.70 -104.2 73 93 92 99 158 29.1 0.411 1.379 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1054 1372.1 10.4 scans 48% 341 m/z 0.27% 0.0752% 3425 1.8 245 219412 0.153% 5675613 5437134 11542838 0-2 20: 341 429 73 342 147 325 343 430 431 326 207 344 327 251 148 75 432 323 311 193 0.760 24.17 -151.7 79 99 66 99 429 82.3 11.295 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1084 ? Pentadecane 24.5782 1387.9 8.4 scans 77% 71 m/z 0.40% 0.0878% 3505 1.0 232 149766 6630491 6041824 2-9 20: 71 57 85 43 41 70 84 55 127 113 56 99 69 155 169 42 126 112 72 86 0.953 24.54 250.6 79 99 96 100 169 25.1 1.170 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1004 Nicotine 25.5865 1421.6 >24 scans 95% TIC 0.0084% 12.2% 3676 0.2 1671 7227919 921768700 900108683 0-2 0.997 25.89 264.6 80 99 99 99 162 488.1 8.534 -0.305 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN GLAU_R~1-N1080 ? Solanone 25.7872 1428.3 7.4 scans 72% 93 m/z 0.15% 0.176% 3710 1.0 350 395792 13297152 12443450 2-2 20: 93 43 121 136 91 79 77 81 94 41 194 71 95 123 107 108 55 67 137 53 0.913 25.78 273.0 77 98 90 98 194 50.8 2.100 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0310 1436.5 8.4 scans 9.9% 145 m/z (57) 7.0% 0.00392% 3751 1.0 46 8708 296379 260309 2-3 4: 145 160 115 146 0.562 27.08 -186.3 64 92 66 94 160 16.2 12.429 -1.046 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0062 1469.0 8.4 scans 41% 121 m/z (57) 4.7% 0.0190% 3916 1.1 103 12950 1434494 1281540 1-3 9: 121 137 136 161 93 108 107 179 138 0.911 27.02 295.6 63 86 81 89 208 11.2 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0930 1471.9 6.6 scans 45% 221 m/z 1.8% 0.0137% 3931 0.9 102 33632 1036313 988097 2-2 18: 221 73 147 281 222 267 355 223 148 282 443 74 356 207 357 283 444 191 0.904 27.12 297.0 76 96 84 95 355 18.9 3.474 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1698 1474.5 7.8 scans 75% 57 m/z (142) 0.51% 0.0624% 3944 1.1 195 118241 0.0844% 4711295 4556193 6367422 1-0 20: 57 71 43 85 41 56 70 55 99 198 127 42 113 84 69 98 112 83 126 72 0.988 27.21 -1.3 96 98 97 98 198 20.4 1.095 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1032 ? Myosmine 27.9514 1503.7 9.5 scans 65% 118 m/z 0.29% 0.132% 4077 1.5 263 204582 0.155% 10002651 9529825 11693725 1-0 19: 118 146 145 105 119 78 91 41 93 51 147 204 117 104 79 39 92 42 63 0.799 27.93 317.0 75 94 93 97 146 101.8 15.003 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6568 1530.2 8.0 scans 63% 43 m/z (163) 0.32% 0.105% 4196 0.9 244 186869 7944242 7093498 3-1 20: 43 69 41 151 136 107 67 125 93 53 109 121 39 81 83 68 108 91 79 161 0.946 28.67 332.8 76 99 97 99 194 14.1 0.337 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0925 1546.6 7.5 scans 69% 71 m/z 0.21% 0.143% 4270 1.1 326 285333 0.213% 10832413 10447090 16069441 1-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 97 69 183 177 42 127 140 0.902 29.10 342.7 73 95 89 94 227 6.2 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5199 1562.7 9.7 scans 76% TIC 0.16% 0.211% 4342 1.2 354 378138 15944162 14503090 1-1 0.975 29.61 -150.4 80 99 96 99 503 55.9 2.498 -0.094 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6698 1568.3 7.7 scans 57% 177 m/z (43) 0.042% 0.871% 4367 0.7 726 1429795 65781785 62891791 3-1 12: 177 178 91 133 149 192 162 144 147 179 150 191 0.947 29.68 355.8 76 97 87 97 192 62.5 0.741 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7619 1571.8 7.6 scans 61% 123 m/z (57) 0.096% 0.142% 4383 1.0 300 629823 10754703 10122793 0-7 7: 123 135 124 107 109 165 125 0.975 29.77 357.8 75 97 97 97 193 24.8 0.683 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1118 ?? UNK Hydrocarbon double ring structure 29.8422 1574.8 9.7 scans 10% 105 m/z 2.1% 0.00873% 4396 1.1 77 27813 658700 623591 0-1 18: 105 161 133 91 93 94 147 146 189 121 107 204 106 119 148 120 131 108 0.656 29.85 359.7 65 88 55 86 204 14.6 3.629 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3204 1592.8 7.9 scans 48% 57 m/z (106) 0.54% 0.0546% 4478 1.2 187 111025 0.0752% 4119173 4119173 5673343 0-0 20: 57 71 43 85 41 55 56 212 99 70 42 98 69 113 58 83 84 97 140 100 0.980 30.38 -2.1 86 87 94 94 212 22.8 1.482 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4975 1600.0 7.9 scans 85% 191 m/z 0.027% 0.564% 4508 1.0 597 2235089 42609385 38932729 2-5 20: 191 206 192 57 163 74 91 41 175 115 107 73 77 207 88 128 147 161 121 105 0.981 30.50 375.2 80 100 98 100 206 157.5 6.957 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8174 1613.4 8.6 scans 54% 124 m/z (71) 0.57% 0.0615% 4562 0.9 183 106479 4646518 4261278 2-6 12: 124 137 55 180 125 81 138 54 96 181 152 82 0.970 30.81 384.0 77 98 97 99 180 46.9 6.605 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1190 Berkheyaradulene 30.8823 1616.1 8.9 scans 22% 162 m/z 1.5% 0.0143% 4573 1.3 103 39514 1084838 1031397 1-1 18: 162 147 161 105 148 78 119 133 204 77 115 113 145 51 71 163 131 79 0.527 30.88 0.1 89 93 48 91 204 14.9 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9361 1618.4 8.9 scans 18% 171 m/z (71) 2.5% 0.0109% 4582 1.1 75 23695 0.0113% 822401 764906 852510 3-0 3: 171 172 173 0.908 30.93 0.4 86 89 62 95 171 40.3 29.081 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2047 1629.7 9.6 scans 64% 111 m/z 0.12% 0.276% 4627 0.8 383 497437 20859176 19603053 2-1 20: 111 109 137 67 180 110 124 95 152 41 79 81 39 77 112 53 65 93 51 91 0.843 31.18 394.7 77 97 81 97 180 89.0 5.386 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5134 1642.7 8.9 scans 76% 43 m/z (149) 0.31% 0.113% 4680 1.0 247 190858 8555114 8168700 1-1 20: 43 98 111 166 55 85 71 151 57 82 127 41 68 83 67 69 123 39 81 99 0.981 31.52 -0.0 96 97 98 99 166 45.8 3.446 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9142 1659.5 8.6 scans 48% 71 m/z (96) 1.4% 0.0401% 4748 0.7 140 41672 3027178 2656235 2-1 19: 71 57 85 83 43 82 155 55 99 70 84 113 69 141 127 56 58 112 72 0.900 31.92 -0.2 79 87 90 91 219 5.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1126 ?? Diepicedrene-1-oxide 32.0423 1664.9 9.3 scans 67% 137 m/z (221) 2.0% 0.0881% 4769 1.1 211 30308 6653803 6249832 1-1 19: 137 43 69 71 57 95 41 81 123 136 55 67 70 139 177 107 82 93 111 0.921 32.12 415.9 63 83 66 98 192 28.1 1.781 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0801 1666.5 6.7 scans 23% 221 m/z 1.4% 0.0152% 4776 1.0 106 42625 1148932 1052454 7-2 19: 221 73 147 295 222 207 355 341 223 325 281 148 267 297 296 356 74 343 357 0.860 32.08 0.1 95 97 80 96 355 19.1 3.245 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2330 1672.9 8.5 scans 54% 57 m/z (208) 0.64% 0.0837% 4802 1.8 182 94632 6320223 5142147 9-5 14: 57 71 43 85 41 183 99 56 113 42 182 70 141 100 0.863 32.24 -0.2 84 95 90 94 226 8.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4385 1681.5 11.6 scans 31% TIC 1.1% 0.0171% 4837 0.9 114 52186 1296364 1186143 1-1 0.601 32.44 -0.2 86 90 62 87 226 4.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6764 1691.5 9.0 scans 59% 205 m/z (171) 3.4% 0.0503% 4877 0.8 160 17878 3799744 3399651 1-3 10: 205 93 105 159 107 131 106 146 162 149 0.936 32.67 0.0 93 97 92 98 220 9.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1120 ?? Caryophyllene oxide 32.8481 1698.7 11.8 scans 31% 109 m/z (149 74) 3.3% 0.0367% 4906 1.5 116 18410 2770144 2500515 1-1 11: 109 91 93 96 133 77 94 147 53 161 78 0.660 32.87 438.4 64 93 70 91 206 9.4 0.000 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8788 1700.0 >13 scans 42% TIC 2.7% 0.0283% 4911 0.0 143 21822 0.0664% 2138329 1979380 5009441 2-0 0.854 32.87 0.5 66 70 71 76 186 6.8 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9296 1702.2 7.6 scans 48% 71 m/z 0.27% 0.0420% 4920 0.9 169 218376 3174941 2863685 2-7 12: 71 43 159 111 56 243 72 173 155 143 89 73 0.869 32.93 -0.1 92 95 86 98 243 25.2 2.213 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0849 1708.7 7.8 scans 38% 57 m/z (126) 4.3% 0.0172% 4946 1.0 105 14180 1305023 1304733 1-0 20: 57 83 55 97 56 69 43 41 70 71 111 84 85 54 98 68 82 99 67 110 0.887 33.09 -0.0 87 95 94 97 224 5.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3045 1717.9 14.9 scans 80% TIC 0.35% 0.0768% 4983 0.9 242 171035 0.121% 5797736 5655426 9128650 0-4 0.979 33.37 -2.9 97 97 94 97 226 24.7 1.040 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8281 1727.3 8.2 scans 10% 217 m/z (115) 3.3% 0.00436% 5072 1.2 50 18233 329530 298055 2-0 8: 217 232 128 218 87 189 173 233 0.659 33.83 452.6 67 93 62 94 232 22.2 19.562 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8936 1728.2 7.3 scans 36% TIC 1.5% 0.0113% 5083 0.8 117 40480 0.0167% 853652 769215 1259905 2-1 0.716 33.90 -0.1 90 98 78 94 197 23.2 3.943 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1132 ?? Longifolenaldehyde 34.0896 1731.1 8.4 scans 47% 109 m/z (57) 1.3% 0.0667% 5117 1.4 190 46409 0.0882% 5034283 4646273 6654107 2-0 17: 109 95 121 107 91 81 79 191 123 119 93 67 149 137 151 179 192 0.828 34.14 451.9 66 88 83 92 220 21.3 1.260 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2720 1733.7 8.7 scans 21% 57 m/z (173) 3.0% 0.0107% 5147 0.8 81 19992 813208 813208 0-0 16: 57 85 71 210 98 182 211 162 196 86 141 183 39 204 184 197 0.752 34.27 0.1 82 93 82 94 211 13.8 2.886 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3812 1735.2 8.3 scans 94% 355 m/z 0.020% 2.19% 5166 0.7 1158 2970394 165952610 154714191 2-2 20: 355 73 221 147 281 401 282 222 415 327 267 207 283 223 325 416 75 341 339 133 0.997 34.39 452.2 81 100 99 100 415 138.2 1.425 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1134 ?? Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl- 34.4285 1735.9 9.0 scans 26% 136 m/z (355) 3.1% 0.0289% 5174 1.4 122 19084 2187072 1976059 1-1 4: 136 77 67 174 0.887 34.50 451.3 61 87 82 90 218 0.0 0.000 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1136 ? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5489 1737.6 8.8 scans 24% 123 m/z 2.1% 0.0198% 5194 0.9 122 27948 1497243 1426683 1-1 18: 123 69 163 125 196 82 41 109 81 68 83 138 72 124 126 58 181 139 0.615 34.61 451.3 70 95 62 92 6 0.0 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8128 1741.4 14.1 scans 90% 91 m/z 0.036% 1.10% 5239 0.3 636 1652385 83026904 79549427 1-1 20: 91 155 199 90 65 184 44 89 92 120 137 63 106 77 39 156 200 134 107 121 0.984 34.79 452.4 80 100 98 100 199 175.0 7.580 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9232 1743.0 >8 scans 37% TIC 2.0% 0.0133% 5257 0.0 134 30217 0.0268% 1006198 925290 2021883 1-0 0.910 34.90 0.3 90 91 93 96 224 12.8 0.920 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6174 1752.9 8.7 scans 49% 71 m/z (183) 0.96% 0.0846% 5375 1.2 209 62977 6384529 5623291 2-4 19: 71 97 83 69 191 109 81 95 55 82 177 137 67 153 73 100 72 41 206 0.963 35.70 450.2 60 85 87 90 224 7.4 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6941 1754.0 8.4 scans 42% 123 m/z (70) 0.67% 0.0545% 5388 0.9 171 90590 0.0611% 4112790 3732509 4609591 0-3 15: 123 193 209 105 224 124 167 165 181 166 210 77 195 131 175 0.922 35.70 451.3 73 97 90 97 224 25.0 2.136 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1186 ? Cotinine 36.1829 1761.0 11.1 scans 22% 98 m/z (71) 1.0% 0.0274% 5471 1.3 102 59943 2070856 1819458 3-4 10: 98 176 118 78 175 106 177 104 63 62 0.817 36.19 -88.8 71 94 82 95 176 38.4 14.015 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1140 ?? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6741 1768.0 8.0 scans 13% 205 m/z (197) 5.8% 0.00616% 5554 1.2 61 10481 465262 410226 2-2 7: 205 159 123 221 178 136 187 0.823 36.70 449.5 67 93 64 91 220 23.0 14.183 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1989 1775.5 8.4 scans 28% 209 m/z 0.79% 0.0259% 5643 0.9 127 77135 1955464 1845506 2-1 17: 209 224 181 210 165 167 178 105 194 189 103 115 179 225 77 193 152 0.770 37.20 449.2 75 98 74 96 224 44.5 12.196 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN HCMIX_~1-N1016 Octadecane 37.2992 1777.0 8.7 scans 52% 71 m/z (215) 0.91% 0.0588% 5660 1.1 173 66972 0.0844% 4443285 4150814 6367422 0-5 16: 71 85 57 43 99 126 113 127 84 155 169 111 56 72 97 112 0.966 38.91 -23.0 81 85 91 84 254 2.6 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1142 ?? Widdrol hydroxyether 37.9492 1786.3 9.3 scans 18% 177 m/z (56) 7.2% 0.0132% 5770 0.9 82 8372 997374 928643 1-1 6: 177 109 192 205 136 238 0.752 37.98 447.7 62 92 64 90 238 11.5 1.967 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0667 1787.9 8.4 scans 49% 57 m/z 0.73% 0.0359% 5790 0.9 164 82632 2713929 2526559 1-2 20: 57 71 85 43 56 41 99 225 55 224 113 97 69 70 127 141 169 155 83 239 0.868 38.06 448.2 74 96 85 94 225 30.6 3.500 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5720 1795.2 9.0 scans 93% 73 m/z 0.022% 2.04% 5876 1.0 1051 2774455 153924687 146813499 2-3 20: 73 147 221 355 430 281 341 431 207 222 401 357 74 148 295 342 282 325 343 283 0.989 38.59 447.1 80 100 98 100 429 306.0 8.479 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N406_R~1-N1108 ? Solavetivone 38.9321 1802.7 13.3 scans 93% 133 m/z 0.053% 3.99% 5937 0.3 1250 1134141 301172808 282287708 1-2 20: 133 147 91 79 161 93 107 67 137 190 175 105 218 95 119 134 41 162 203 53 0.990 38.84 450.7 76 95 96 96 272 0.0 0.000 0.089 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4545 1867.5 8.1 scans 33% 74 m/z (270) 1.4% 0.0259% 6025 1.1 124 41551 1955936 1849687 1-3 11: 74 87 102 213 75 60 256 59 229 73 211 0.904 39.45 506.0 65 88 89 95 256 15.1 1.487 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.8495 1916.5 14.5 scans 94% 95 m/z 0.021% 6.57% 6092 0.2 1562 2790326 496385257 468302699 1-2 20: 95 68 82 123 69 57 81 55 67 83 43 97 41 71 96 109 124 79 110 137 0.992 39.94 547.4 80 100 99 100 278 92.4 0.000 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9179 1925.0 6.6 scans 55% 58 m/z 0.56% 0.0646% 6103 1.4 236 107920 4880941 4643592 0-2 12: 58 43 59 71 85 109 95 110 124 250 113 123 0.890 39.88 556.7 74 96 89 95 250 23.3 0.975 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3223 1975.1 7.7 scans 51% 149 m/z (183) 0.17% 0.0669% 6172 1.0 205 358495 5049842 4808756 2-2 9: 149 150 223 104 76 167 205 224 50 0.984 40.31 600.2 76 97 97 99 223 41.8 4.160 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N406_R~1-N1110 ?? Phytol 40.3920 1983.7 7.9 scans 25% 81 m/z (151 262) 2.2% 0.0290% 6184 1.4 124 27192 2191727 1917965 6-2 12: 81 82 95 123 124 79 110 96 53 94 73 356 0.734 40.66 -33.5 64 85 67 85 278 11.9 0.000 -0.270 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6210 2012.1 6.9 scans 17% 221 m/z (69) 2.4% 0.0130% 6223 1.0 90 24946 0.0134% 983386 855115 1010941 7-4 17: 221 73 147 295 281 222 296 207 297 223 355 74 208 341 279 283 267 0.811 40.63 632.0 71 98 88 98 369 14.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1254 Phytol 40.8566 2041.3 8.1 scans 39% 82 m/z (149) 1.6% 0.0476% 6263 0.8 160 37342 3598134 3255144 3-2 9: 82 81 68 95 123 109 96 124 278 0.816 40.87 -1.4 91 98 82 97 278 20.9 1.702 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BQLD_R~1-N1056 ? Homosalate 41.0059 2059.9 8.4 scans 49% 138 m/z 0.48% 0.0837% 6288 1.1 233 125841 6319344 5714354 2-1 18: 138 69 120 109 121 124 83 139 82 65 41 92 262 95 68 93 67 39 0.857 41.00 674.1 76 99 93 99 262 28.8 1.537 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1144 ? Sclareoloxide 41.1069 2072.4 8.9 scans 61% TIC 0.59% 0.125% 6305 1.0 307 103188 9483916 8783042 1-1 0.895 41.13 684.6 78 98 87 98 262 58.4 3.624 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2539 2090.6 8.7 scans 68% 79 m/z (157) 0.36% 0.199% 6330 1.0 330 169503 15048198 14282751 1-2 20: 79 67 93 95 80 108 91 55 121 41 81 94 77 107 87 135 59 78 122 66 0.973 41.26 -0.4 97 99 98 99 264 21.2 0.412 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4646 2116.7 8.6 scans 84% 205 m/z 0.20% 0.437% 6366 0.6 509 291925 33042405 31764325 2-1 20: 205 57 217 175 189 220 177 55 232 41 91 261 191 203 161 77 192 109 135 115 0.961 41.49 -79.9 85 100 96 100 276 32.9 0.417 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0290 2149.6 9.2 scans 40% 93 m/z 0.10% 1.10% 6461 0.9 776 590277 83516854 77296665 3-2 20: 93 105 81 107 119 91 121 79 133 229 67 95 77 109 147 135 120 149 272 134 0.722 42.05 -1.0 97 100 85 99 272 92.7 1.427 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3454 2167.4 8.6 scans 38% 73 m/z (161) 0.16% 0.219% 6514 1.0 345 366934 16574380 15566105 2-3 19: 73 281 221 355 429 207 503 430 222 504 415 282 295 341 505 357 267 461 223 0.930 42.37 758.4 72 92 93 99 503 54.3 2.468 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3861 2169.7 8.8 scans 87% 161 m/z (255) 0.088% 1.17% 6522 0.7 799 688352 88953748 81495985 3-1 20: 161 91 79 93 105 81 77 119 107 133 41 95 121 55 229 162 69 109 120 135 0.992 42.40 -0.7 98 100 98 99 272 57.1 0.511 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1248 ?? Diterpene 42.9min RI2199 42.8779 2197.3 9.3 scans 8.6% 148 m/z (229) 7.3% 0.00644% 6605 1.7 62 8250 486328 428813 1-1 20: 148 133 60 271 85 227 175 190 256 119 105 71 106 253 225 149 268 161 99 91 0.536 42.90 -1.4 64 75 43 77 272 6.0 0.931 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3005 2221.0 8.7 scans 81% 91 m/z (241) 0.31% 0.446% 6677 0.9 495 196145 33716359 30884257 2-2 20: 91 93 105 77 79 131 119 107 81 145 133 41 117 55 95 143 132 106 147 159 0.961 43.31 -0.4 77 81 78 81 278 34.6 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.5567 2235.4 7.6 scans 23% 74 m/z (253) 2.5% 0.0226% 6720 0.7 119 24210 1705197 1483214 3-5 1: 74 0.251 42.99 31.8 65 79 19 80 272 13.7 0.000 0.567 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.8531 2252.0 8.9 scans 70% 121 m/z (175) 0.51% 0.166% 6770 0.8 285 118690 12574105 11030966 3-4 13: 121 136 93 272 91 77 107 68 137 161 122 53 94 0.922 43.15 39.2 70 80 69 79 272 51.3 3.246 0.699 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1238 ? Trachylobane 44.1353 2268.2 7.5 scans 24% 272 m/z (162) 5.4% 0.0169% 6818 1.1 106 11244 1275770 1166305 1-1 20: 272 257 124 95 79 81 201 135 134 215 148 217 73 237 94 109 122 177 41 187 0.865 44.15 -1.1 74 80 74 87 272 15.0 2.013 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N419_R~1-N1158 ? Manool oxide 44.2722 2276.0 8.8 scans 43% 257 m/z (157) 1.9% 0.0565% 6841 1.0 172 31632 4263475 3975670 2-2 7: 257 177 137 192 191 258 205 0.937 43.83 838.4 72 96 88 95 275 43.5 6.368 0.445 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1234 Thunbergol 44.9009 2312.2 9.3 scans 78% 43 m/z (259) 0.34% 0.460% 6948 1.0 483 177794 0.780% 34770569 33057241 58845842 2-0 20: 43 81 67 109 93 95 121 69 107 55 97 41 79 123 71 136 161 149 135 189 0.996 44.90 0.0 96 98 98 98 272 32.9 0.464 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9889 2317.3 9.3 scans 63% 105 m/z 0.22% 0.490% 6962 0.8 557 272785 0.723% 37011287 37011287 54545569 0-0 20: 105 131 91 145 119 133 157 159 134 171 77 143 79 81 129 93 270 117 147 227 0.830 44.99 856.9 79 100 87 100 270 87.5 2.469 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N6_REP1-N1178 UNK Alkene structure 45.4747 2345.2 8.6 scans 87% TIC 0.076% 0.955% 7045 0.9 761 800329 1.14% 72089990 69803738 86005461 1-0 0.975 45.47 875.3 80 100 98 100 288 29.8 0.153 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1087 2381.7 9.2 scans 76% 79 m/z (159) 0.13% 0.568% 7152 0.8 522 443573 42894467 38111811 2-6 19: 79 67 95 93 80 108 81 55 41 94 107 77 59 69 135 87 149 121 78 0.983 46.13 -1.5 92 94 95 96 292 36.8 0.495 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1150 ?? UNK 46.46min 46.4075 2398.9 9.3 scans 44% 191 m/z (177) 0.49% 0.0711% 7203 1.1 191 123687 5371250 4870719 1-6 11: 191 137 192 109 69 217 235 138 175 193 125 0.967 46.47 909.6 64 84 84 95 235 30.5 2.557 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4263 2400.0 9.4 scans 14% 177 m/z (207) 2.0% 0.0187% 7206 0.9 97 29101 1413658 1294877 1-3 8: 177 195 178 290 148 139 291 221 0.562 46.49 -4.0 84 94 53 89 290 15.7 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7569 2419.0 7.8 scans 43% 74 m/z (121) 0.97% 0.0327% 7262 1.2 139 62503 2469947 2257332 3-3 13: 74 87 75 143 298 255 199 101 267 88 59 200 269 0.923 46.76 923.9 73 97 92 96 298 25.1 3.258 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2575 2447.9 10.5 scans 8.7% 134 m/z (117) 6.6% 0.00759% 7347 0.7 61 9241 573323 535950 1-3 12: 134 137 119 255 148 199 163 71 118 65 92 175 0.335 47.36 -5.6 64 88 24 80 272 8.9 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5001 2461.8 8.0 scans 21% 138 m/z 3.0% 0.00643% 7388 1.0 69 20012 485502 433645 2-5 12: 138 120 121 57 139 70 111 56 168 65 98 63 0.587 47.50 949.0 74 97 58 94 168 10.2 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6902 2472.8 7.4 scans 11% 221 m/z (133) 9.7% 0.00252% 7421 1.1 41 6246 190261 189813 2-0 3: 221 222 296 0.616 44.32 1025.5 63 97 69 94 369 9.9 5.832 3.370 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN N407_R~1-N1154 ? UNK 48.48min 48.4447 2516.2 8.7 scans 41% 148 m/z (127) 1.8% 0.0156% 7548 0.9 93 33713 1181905 1115139 8-1 10: 148 95 147 149 123 122 133 161 286 108 0.883 48.48 978.0 71 95 84 94 286 11.3 1.486 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9406 2544.7 7.9 scans 47% 73 m/z (53) 1.5% 0.0212% 7632 1.1 112 39408 1603678 1454213 2-5 20: 73 355 147 221 429 281 430 357 207 295 222 74 148 356 415 297 342 296 401 283 0.873 48.95 994.3 73 97 93 99 429 28.7 6.568 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8568 2712.5 8.0 scans 49% 73 m/z 2.4% 0.0102% 8126 1.2 79 25064 769920 697459 2-4 20: 73 147 221 355 281 341 503 356 207 295 222 148 74 282 283 145 369 401 267 431 0.720 51.86 1081.6 74 97 70 95 503 12.7 2.592 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6313 2872.2 8.9 scans 40% 73 m/z (71) 5.7% 0.00555% 8596 1.3 53 10663 419377 386999 3-4 13: 73 221 147 355 295 356 223 222 429 431 267 341 357 0.708 45.81 1395.7 68 96 72 93 503 7.2 0.000 8.819 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.5205 781.9 >34 scans 79% TIC 0.22% 0.0944% 107 0.5 161 287271 9614198 9614198 0-0 0.985 4.37 27.9 98 100 98 100 77 139.7 75.683 0.149 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.3287 829.0 10.7 scans 51% 57 m/z 1.8% 0.00617% 414 0.2 66 35158 628463 561934 2-8 8: 57 41 39 59 45 102 87 53 0.847 6.03 -132.6 76 99 85 97 102 7.9 0.000 0.296 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5170 833.9 20.6 scans 60% 207 m/z 0.57% 0.0326% 446 3.1 115 114670 3321916 2980856 2-2 20: 207 209 191 133 208 177 193 103 119 147 161 165 149 89 135 176 88 163 73 210 0.704 6.53 -142.9 79 100 85 99 207 88.3 59.039 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6298 862.9 8.4 scans 76% 55 m/z 1.6% 0.0313% 634 2.3 146 39339 3193537 2971813 1-4 18: 55 69 41 83 57 42 39 98 70 56 80 43 54 53 38 79 50 68 0.905 7.71 7.6 99 99 92 98 98 36.3 6.137 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKSTART-N1004 ?? Contamination 12.42min 12.0490 977.9 7.8 scans 31% 57 m/z (45) 5.7% 0.00238% 1383 0.9 44 11428 242602 233662 0-5 5: 57 71 85 68 99 0.779 12.42 28.2 61 57 66 86 281 0.0 0.000 -0.370 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2184 982.4 12.5 scans 47% 281 m/z 0.56% 0.0321% 1411 2.5 126 116072 3269172 2862822 2-3 20: 281 43 282 283 71 99 191 134 249 265 133 193 250 55 267 205 73 207 251 85 0.614 12.22 36.1 93 98 84 99 281 88.8 49.595 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6570 993.8 10.0 scans 67% 81 m/z (112) 0.64% 0.0354% 1486 2.2 139 101131 3603821 3360012 2-2 20: 81 110 53 67 79 41 68 82 65 77 51 66 95 96 40 50 109 69 62 63 0.940 13.22 30.2 92 96 92 99 110 40.3 8.468 -0.565 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1022 ?? Octanal 12.9138 1000.5 7.6 scans 37% 43 m/z (109) 10% 0.00511% 1529 1.1 66 6342 520894 492304 3-1 20: 43 41 56 57 84 44 55 82 85 69 42 39 68 54 67 72 45 95 51 110 0.902 12.96 -174.3 64 95 87 94 110 6.1 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1016 Limonene 13.8914 1027.0 8.2 scans 64% 68 m/z (134) 1.7% 0.0225% 1695 1.2 130 36915 2294955 2139587 2-1 20: 68 93 67 123 94 136 79 92 121 53 107 91 43 77 95 81 39 41 80 105 0.831 13.89 51.7 86 99 95 98 136 23.9 3.362 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.2243 1036.0 14.4 scans 55% 108 m/z 2.6% 0.0123% 1751 1.1 80 24594 1256937 1180344 1-3 12: 108 79 107 77 51 91 80 63 105 52 76 90 0.854 14.11 57.0 87 97 81 96 108 38.9 23.701 0.115 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4369 1041.7 9.6 scans 94% TIC 0.072% 0.209% 1787 1.6 357 899721 21320852 19560007 2-3 0.990 14.44 56.9 91 100 99 100 120 114.8 10.369 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1647 1061.5 11.3 scans 83% 105 m/z 0.18% 0.134% 1910 2.1 254 346195 13672178 12851471 2-1 17: 105 77 123 51 46 106 50 78 124 74 76 75 79 52 73 49 62 0.982 15.17 64.1 89 99 96 99 123 91.6 13.043 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2568 1064.0 13.1 scans 45% 94 m/z (122) 0.54% 0.0528% 1926 0.6 158 120784 5383394 5067820 2-1 13: 94 109 66 120 39 110 95 43 65 107 40 37 80 0.918 16.11 -206.2 77 99 97 99 109 83.5 28.015 -0.852 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4227 1068.5 9.5 scans 36% 95 m/z (119) 0.99% 0.0266% 1954 1.8 123 66319 2711649 2303055 2-6 11: 95 81 124 79 53 109 96 125 66 38 123 0.918 15.43 66.8 82 97 81 97 124 38.2 9.699 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1002 Undecane 16.5910 1100.2 9.3 scans 49% 57 m/z 3.8% 0.00629% 2152 1.3 73 17013 640139 579970 1-2 14: 57 43 85 113 41 70 71 56 84 55 99 69 98 42 0.836 16.59 0.2 88 92 78 89 156 7.5 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7722 1107.8 8.5 scans 77% 57 m/z (111) 0.81% 0.0632% 2183 1.3 203 80635 6438028 5464007 6-4 19: 57 41 56 55 98 44 70 82 68 69 95 96 81 67 39 42 71 54 114 0.955 16.82 85.4 79 98 95 97 124 11.6 0.326 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1008 ? Maltol 16.9623 1115.9 8.8 scans 59% 126 m/z (81) 0.65% 0.0508% 2215 1.1 187 99730 5170627 4744346 2-3 19: 126 71 43 55 95 97 60 128 41 69 73 53 70 42 54 127 87 85 57 0.799 16.96 91.3 72 92 65 95 156 9.9 0.280 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 16.9623 1115.9 8.8 scans 62% 126 m/z (81 106) 0.67% 0.0533% 2215 1.1 191 97451 5424675 4977449 2-3 19: 126 71 43 55 95 97 60 128 41 69 73 53 70 42 54 127 87 85 57 0.889 16.97 91.2 62 83 81 90 128 33.1 3.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.1294 1122.9 9.7 scans 29% 91 m/z (52) 2.3% 0.00680% 2244 1.0 64 27474 0.00804% 692769 659601 818223 0-4 6: 91 92 122 65 103 104 0.853 17.05 96.9 74 99 87 98 122 22.6 12.654 0.077 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0786 1163.0 11.1 scans 65% 73 m/z 0.78% 0.0326% 2404 1.5 142 83292 3319833 3061374 2-2 19: 73 355 267 268 357 339 356 270 269 358 154 192 59 249 75 252 251 223 45 0.874 18.13 -168.7 79 99 84 98 355 62.0 19.216 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN M4942-N1002 Pyranone 18.4582 1179.0 14.4 scans 89% 144 m/z 0.16% 0.293% 2468 0.6 374 388804 29876789 27648371 2-3 20: 144 43 101 44 72 73 55 45 115 145 42 85 58 146 56 39 71 54 116 38 0.980 20.04 -211.5 80 99 97 99 144 159.7 18.183 -1.584 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6996 1189.2 8.2 scans 36% TIC 6.9% 0.00282% 2509 1.0 69 9501 286993 286993 0-0 0.702 18.71 138.4 71 95 67 94 153 1.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8248 1194.5 9.3 scans 67% 70 m/z 2.0% 0.0301% 2531 1.1 147 32825 3071848 2787100 1-3 20: 70 41 55 83 43 69 57 96 84 39 56 81 67 93 97 68 98 54 94 111 0.910 18.83 141.8 71 92 91 97 122 12.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 18.9877 1201.4 7.9 scans 33% 57 m/z (111) 5.3% 0.00517% 2559 1.5 63 12239 526958 479606 2-2 6: 57 71 43 127 85 56 0.864 29.94 -15.0 74 83 76 81 254 0.0 0.000 -10.953 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1341 1207.6 8.8 scans 30% 82 m/z (42) 6.0% 0.00491% 2583 1.4 54 10881 499717 425905 2-2 5: 82 81 54 97 98 0.701 19.12 150.5 65 85 83 96 97 8.1 2.225 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7551 1233.8 12.0 scans 31% 119 m/z (69) 2.0% 0.00899% 2688 1.1 68 32435 915455 808225 5-4 3: 119 91 120 0.911 13.76 34.3 72 80 67 79 134 24.0 12.308 5.998 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8378 1237.3 8.9 scans 69% 57 m/z 0.55% 0.0405% 2702 1.0 178 117507 4124774 3810060 2-4 19: 57 45 41 75 87 56 89 72 100 101 59 60 85 58 44 73 71 62 132 0.916 19.81 169.8 77 98 93 99 144 2.4 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1024 ? Hexadecane 20.3343 1258.1 11.5 scans 56% 57 m/z (42) 2.5% 0.0138% 2786 0.8 88 25709 1405036 1291744 4-2 14: 57 71 84 98 41 56 127 99 140 113 126 70 86 112 0.804 33.32 -8.9 79 87 89 88 226 0.0 0.000 -12.985 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3343 1258.1 11.5 scans 55% 57 m/z (132) 2.4% 0.0136% 2786 0.8 88 26493 1390577 1278452 4-2 14: 57 71 84 98 41 56 127 99 140 113 126 70 86 112 0.908 20.32 0.4 88 96 91 94 170 7.5 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1034 ? Decanal 20.5220 1263.8 8.4 scans 78% 57 m/z (110) 0.80% 0.0768% 2818 1.1 233 81447 7821046 7013695 4-1 20: 57 41 55 43 70 82 71 68 44 67 81 83 69 56 112 96 42 84 39 54 0.969 20.57 -143.2 76 99 97 99 138 12.0 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5226 1263.8 9.0 scans 80% TIC 0.79% 0.0771% 2818 0.9 237 82575 7852487 7194841 2-1 0.974 20.56 185.1 76 96 97 96 128 20.7 0.762 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1266 ?? Octanoic acid 20.6401 1267.3 12.1 scans 53% 85 m/z (88) 1.9% 0.0292% 2838 1.1 127 33270 2971816 2778482 1-1 18: 85 60 73 71 43 57 141 84 41 87 55 136 140 69 97 101 56 109 0.907 22.03 -41.8 66 69 78 84 175 0.0 0.000 -1.394 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9931 1277.9 9.1 scans 47% 137 m/z (94) 1.1% 0.0355% 2898 1.0 153 58461 3614973 3222507 2-3 9: 137 123 67 91 93 53 119 106 153 0.752 21.00 192.6 61 85 60 83 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.0385 1279.3 9.0 scans 64% 94 m/z (137) 0.35% 0.0453% 2906 1.0 173 187008 4611071 4168026 5-1 7: 94 138 66 51 45 139 76 0.985 20.98 194.3 77 98 97 99 152 4.3 0.000 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 21.1944 1283.9 19.3 scans 9.3% 51 m/z (45) 1.4% 0.0282% 2932 1.1 98 44609 2870342 2691144 1-2 12: 51 88 122 73 123 107 47 106 126 49 77 38 0.619 20.03 213.2 70 95 87 96 122 50.4 26.399 1.165 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1028 ?? p-Cymenene 21.3449 1288.5 10.1 scans 3.6% 132 m/z (65) 31% 0.000875% 2957 1.0 23 2105 89066 80871 1-3 3: 132 117 150 0.555 16.25 13.9 64 76 51 90 132 12.0 26.474 5.091 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 21.5734 1295.3 9.6 scans 13% 281 m/z 2.0% 0.00633% 2996 1.7 63 31711 644685 587762 1-5 12: 281 282 193 267 191 283 284 265 179 194 249 207 0.789 12.25 142.2 74 96 65 95 281 46.4 54.838 9.322 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0049 1308.3 8.3 scans 71% 175 m/z 0.10% 0.115% 3069 1.1 302 647408 11797052 10903768 4-3 19: 175 57 190 176 91 147 115 191 80 105 128 129 131 119 58 64 159 103 117 0.934 22.01 207.9 79 99 87 99 190 84.7 7.884 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9087 1335.4 11.1 scans 52% 109 m/z (57) 0.61% 0.0552% 3222 1.0 177 106303 5617945 5078168 2-4 5: 109 110 170 173 59 0.948 22.91 221.8 72 97 90 96 127 24.1 1.857 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 24.0055 1368.8 >21 scans 86% 73 m/z 0.13% 0.464% 3408 0.1 459 489985 0.486% 47265643 45500378 49459739 1-4 20: 73 60 57 115 129 55 41 43 98 69 87 61 39 56 45 42 70 84 96 59 0.983 22.70 -106.5 77 95 94 99 158 31.7 0.477 1.310 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1035 1372.1 7.3 scans 61% 73 m/z 0.38% 0.0506% 3424 1.0 215 168630 5157354 4725752 1-3 20: 73 341 429 342 147 325 343 430 431 326 74 207 344 327 311 432 75 251 148 328 0.911 24.17 -151.7 79 99 90 99 429 64.7 9.046 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5669 1387.5 8.5 scans 66% 71 m/z 0.64% 0.0418% 3503 1.1 183 101913 4256979 3850045 1-6 19: 71 57 85 43 41 70 84 127 55 56 155 169 42 112 72 126 86 141 113 0.879 24.54 250.2 78 99 88 98 169 20.9 0.000 0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1006 ? Tridecane 24.5669 1387.5 8.5 scans 73% 71 m/z (94) 0.64% 0.0511% 3503 1.1 193 101696 5208934 4711000 1-6 19: 71 57 85 43 41 70 84 127 55 56 155 169 42 112 72 126 86 141 113 0.943 23.86 23.5 77 81 91 82 184 0.0 0.000 0.705 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.8243 1396.1 9.9 scans 41% 43 m/z 1.2% 0.0164% 3547 0.8 115 52760 1678909 1522268 2-1 20: 43 83 55 41 69 56 57 58 85 142 39 108 93 145 144 127 59 128 42 100 0.632 24.70 256.5 62 93 67 94 170 2.0 0.000 0.128 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1032 ?? Dodecane 24.9152 1399.2 13.9 scans 44% 57 m/z 1.9% 0.0157% 3562 2.4 102 34061 1607142 1449010 1-2 17: 57 71 85 43 84 141 99 97 41 55 74 70 127 86 113 72 42 0.800 20.36 -1.0 69 79 80 78 170 2.0 0.000 4.557 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1004 Nicotine 25.5752 1421.2 >24 scans 94% TIC 0.0095% 8.26% 3674 0.2 1587 6867271 841414593 804064536 0-2 1.000 25.89 264.2 80 99 99 99 162 459.7 8.391 -0.317 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.8196 1429.4 8.5 scans 93% 93 m/z 0.021% 1.21% 3715 0.6 976 3034864 123151431 114521275 2-2 20: 93 121 136 43 91 79 77 194 81 94 41 123 95 107 108 67 137 122 92 105 0.991 25.78 274.1 75 93 92 95 194 150.5 2.377 0.043 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0924 1471.9 6.5 scans 23% 221 m/z 4.3% 0.00372% 3931 0.9 63 15183 378658 360572 1-1 15: 221 147 73 281 223 267 222 355 283 443 356 149 282 268 205 0.800 27.12 297.0 72 95 74 93 355 12.9 4.212 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1668 1474.4 8.2 scans 61% 57 m/z (163) 1.0% 0.0242% 3943 1.1 138 62916 0.0393% 2466527 2350269 3999522 1-0 19: 57 71 85 43 41 56 99 55 70 69 84 42 98 113 126 72 86 83 155 0.975 27.21 -1.4 93 96 94 96 198 15.3 1.233 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9643 1504.2 17.5 scans 69% 118 m/z 0.37% 0.0701% 4079 1.5 213 174542 0.0960% 7141532 6841247 9769825 1-0 20: 118 146 145 105 78 58 91 104 63 147 117 42 65 64 41 77 39 89 90 92 0.917 27.93 317.5 77 98 92 99 146 94.4 19.651 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6567 1530.2 8.0 scans 67% 43 m/z (85) 0.25% 0.0989% 4196 1.0 278 256841 10068444 9377668 8-1 20: 43 69 41 151 136 107 125 67 93 53 109 68 83 121 39 81 108 79 161 91 0.972 28.67 332.8 74 97 95 97 194 17.2 0.382 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0894 1546.5 7.6 scans 70% 71 m/z (79) 0.29% 0.100% 4269 1.1 290 225487 0.154% 10216500 9728949 15672428 1-0 20: 71 57 43 85 70 41 55 141 56 113 112 99 84 183 97 69 42 140 155 127 0.985 29.10 342.6 69 91 93 91 227 5.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5121 1562.4 7.6 scans 92% 73 m/z 0.029% 1.05% 4341 0.9 962 2227630 107592740 100066074 2-2 20: 73 281 147 327 415 341 503 399 221 328 416 504 74 325 505 207 417 343 383 385 0.991 29.61 -150.7 79 98 97 99 503 159.5 2.748 -0.102 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1022 ? Nicotyrine 29.6633 1568.1 11.3 scans 23% 158 m/z 0.044% 0.506% 4367 0.8 547 1460595 51534218 48403751 2-3 20: 158 177 157 130 159 116 117 89 156 63 90 149 131 78 51 133 104 42 103 143 0.637 29.68 355.5 76 99 83 98 158 315.1 33.158 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6633 1568.1 11.3 scans 27% 158 m/z (43 208) 0.049% 0.622% 4367 0.8 593 1320708 63390538 59539854 2-3 20: 158 177 157 130 159 116 117 89 156 63 90 149 131 78 51 133 104 42 103 143 0.712 29.68 355.6 70 98 62 95 192 55.1 0.863 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7695 1572.1 8.4 scans 66% 123 m/z (57) 0.083% 0.144% 4384 1.1 333 782034 14755267 13592937 0-5 18: 123 135 124 107 91 79 109 95 77 105 53 193 81 125 93 165 175 122 0.974 29.77 358.1 75 96 96 98 193 27.4 0.674 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1674 1587.0 8.2 scans 58% 57 m/z 0.55% 0.0454% 4452 1.0 216 118143 4629074 4490119 1-0 20: 57 85 71 43 41 99 113 84 55 56 70 69 127 98 155 141 83 140 86 42 0.907 30.38 -7.9 80 84 88 84 212 2.6 0.000 -0.210 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5098 1600.5 8.1 scans 90% 191 m/z 0.024% 0.506% 4510 0.9 651 2650799 51589968 49716096 1-3 20: 191 206 192 57 163 74 91 175 41 115 107 77 73 88 207 128 147 161 105 117 0.990 30.50 375.7 80 100 98 100 206 171.4 6.925 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8303 1614.0 8.8 scans 49% 124 m/z (71) 0.56% 0.0452% 4564 0.9 180 117204 4607757 4278450 2-3 8: 124 137 180 125 138 54 152 181 0.981 30.81 384.6 74 96 91 96 180 49.0 7.359 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8829 1616.2 >11 scans 60% TIC 0.55% 0.0427% 4573 0.9 214 117339 0.0594% 4350085 4213165 6045079 0-1 0.849 30.88 0.2 93 96 84 96 204 22.0 1.055 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9407 1618.6 8.5 scans 12% 171 m/z (71) 4.5% 0.00555% 4583 1.4 62 14386 565227 524838 2-3 2: 171 172 0.826 30.93 0.6 79 84 45 95 171 31.3 25.529 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2288 1630.7 10.0 scans 72% 111 m/z (71) 0.10% 0.374% 4632 0.6 476 649500 38076744 33997793 3-11 18: 111 109 137 67 180 110 124 95 152 77 79 81 39 91 65 165 93 53 0.935 31.18 395.7 75 95 97 99 180 101.8 4.571 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5128 1642.6 9.4 scans 56% 43 m/z (155 185) 0.59% 0.0524% 4680 0.9 183 109788 5333115 4776832 2-1 20: 43 98 111 57 85 166 71 55 127 151 41 83 82 68 107 99 123 84 69 39 0.931 31.52 -0.1 89 94 91 97 166 34.7 3.593 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9154 1659.5 8.2 scans 42% 71 m/z (131) 1.6% 0.0351% 4748 0.8 148 40951 3576776 2730660 7-1 17: 71 57 85 83 99 55 69 113 41 82 84 70 127 56 155 45 169 0.827 31.92 -0.2 74 82 87 89 219 6.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0724 1666.1 6.7 scans 27% 221 m/z 1.3% 0.0127% 4774 1.0 112 49090 1301610 1169544 3-2 18: 221 73 147 222 207 295 341 223 355 148 325 281 296 208 265 356 343 267 0.830 32.08 -0.3 96 98 81 97 355 20.1 3.238 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2282 1672.7 8.9 scans 53% 57 m/z (73) 0.61% 0.0551% 4801 1.4 193 106438 0.0794% 5615396 5391609 8080459 1-0 19: 57 71 43 85 41 56 183 55 149 99 182 105 70 42 77 83 141 98 86 0.855 32.24 -0.4 88 96 90 95 226 8.3 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4254 1681.0 >14 scans 28% TIC 1.4% 0.0101% 4834 1.0 105 46547 1028775 986509 1-0 0.624 32.44 -0.7 74 80 60 76 226 4.2 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6781 1691.6 8.7 scans 54% 205 m/z (148) 3.0% 0.0370% 4877 1.0 166 21381 3774762 3624042 1-2 17: 205 91 119 93 159 107 79 162 187 147 135 131 202 146 106 81 121 0.934 32.67 0.1 93 97 90 97 220 9.7 0.339 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9295 1702.2 8.0 scans 37% 71 m/z 0.32% 0.0267% 4920 0.9 153 203179 2727066 2552163 2-6 14: 71 43 111 159 56 72 155 173 243 143 160 89 215 73 0.789 32.93 -0.1 92 96 87 96 243 24.9 2.632 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0789 1708.4 7.9 scans 34% 83 m/z (103) 4.5% 0.0138% 4946 1.3 106 14493 1404501 1332838 1-1 18: 83 167 55 43 97 70 56 95 151 42 126 98 112 110 100 54 68 125 0.827 33.09 -0.3 82 86 92 97 224 5.1 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3074 1718.0 7.3 scans 59% 57 m/z (162) 0.64% 0.0443% 4984 0.7 189 101494 4517320 4264118 5-1 16: 57 71 85 43 99 56 70 226 113 112 42 141 140 72 98 155 0.873 33.37 -2.8 94 97 96 98 226 20.7 1.200 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8894 1728.2 7.7 scans 42% 71 m/z 1.2% 0.0176% 5083 1.1 139 53859 1794566 1660837 1-1 20: 71 57 43 85 70 197 55 41 99 56 113 169 83 127 168 141 82 225 72 140 0.853 33.90 -0.1 92 97 87 95 197 26.0 3.480 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2708 1733.6 10.0 scans 17% 57 m/z (59 173) 2.9% 0.0110% 5147 1.2 87 21932 1127952 1032276 1-1 18: 57 71 41 210 85 141 114 98 54 70 204 183 182 128 165 67 97 51 0.650 34.27 0.0 65 76 65 91 211 11.8 1.824 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4243 1735.8 11.8 scans 97% 355 m/z 0.013% 3.62% 5173 0.4 1464 4936849 368921530 358789903 3-1 20: 355 73 221 356 357 401 415 327 402 328 191 133 131 205 45 117 383 489 295 323 0.998 34.39 452.8 81 100 99 100 415 181.0 1.531 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7944 1741.1 13.0 scans 87% 91 m/z 0.049% 0.608% 5236 0.3 567 1327144 61956877 59266139 1-1 20: 91 155 199 90 65 184 92 89 44 120 137 63 106 77 39 64 156 134 51 157 0.982 34.79 452.1 81 100 98 100 199 157.5 7.719 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8977 1742.6 8.6 scans 27% 68 m/z (71) 2.5% 0.0221% 5252 1.9 124 25302 2255585 2110550 3-3 2: 68 224 0.758 34.90 -0.1 85 86 82 97 224 12.7 1.056 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3517 1749.1 8.1 scans 76% 57 m/z (147) 0.30% 0.178% 5330 0.7 365 216275 18146013 16076490 3-2 20: 57 71 43 69 55 85 56 41 70 81 126 95 111 82 83 67 96 97 137 109 0.947 35.35 451.7 74 95 97 99 196 30.1 0.677 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6952 1754.0 8.5 scans 50% 123 m/z (57) 0.56% 0.0657% 5388 1.1 219 116974 6687044 5982050 7-4 19: 123 209 193 224 105 165 167 181 91 77 79 175 121 103 166 195 131 152 194 0.969 35.70 451.3 67 89 86 92 224 39.1 3.176 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9296 1757.4 >10 scans 52% TIC 0.55% 0.0463% 5428 1.0 229 117967 0.0986% 4720940 4441712 10034424 1-0 0.826 35.94 451.0 69 94 73 94 238 7.8 0.117 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1186 ?? Cotinine 36.1841 1761.0 11.7 scans 21% 98 m/z (57) 1.1% 0.0244% 5471 1.3 111 57807 2487019 2217352 4-3 10: 98 176 119 118 175 51 78 63 253 52 0.831 36.19 -88.8 67 91 81 94 176 38.2 11.821 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5258 1765.9 7.3 scans 18% 221 m/z 0.98% 0.0229% 5529 1.2 146 66465 2338836 2222448 2-3 16: 221 73 207 147 222 295 281 208 223 341 148 355 327 282 369 370 0.587 36.58 449.4 75 98 76 97 369 24.0 2.712 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2006 1775.5 8.5 scans 43% 209 m/z 0.37% 0.0520% 5643 1.0 206 175760 5297751 4975928 2-2 20: 209 224 181 165 167 178 105 103 166 210 179 225 77 115 91 152 90 89 182 176 0.910 37.20 449.2 78 98 88 98 224 67.1 10.610 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1016 Octadecane 37.2998 1777.0 8.8 scans 61% 71 m/z (117) 0.57% 0.0760% 5660 1.2 227 115183 0.111% 7737843 7142184 11296360 0-4 19: 71 85 57 43 99 113 127 69 84 41 55 141 169 155 70 56 86 111 126 0.986 38.91 -23.0 81 86 93 85 254 3.5 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0607 1787.9 8.4 scans 54% TIC 0.64% 0.0295% 5789 1.1 191 101133 3012272 2855330 1-1 0.928 38.06 448.2 75 97 92 96 225 33.4 3.049 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.5908 1795.4 8.9 scans 92% 73 m/z 0.022% 1.59% 5879 1.0 1086 2873651 162027620 153732302 2-2 20: 73 147 221 430 431 222 401 357 74 148 342 223 459 283 149 133 191 415 358 296 0.988 38.59 447.3 80 99 98 99 429 319.6 8.661 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N406_R~1-N1108 ? Solavetivone 38.8523 1799.2 8.9 scans 76% 108 m/z (57) 0.53% 0.240% 5923 1.1 409 122916 24457608 22604811 2-4 19: 108 91 133 79 93 147 67 161 109 121 107 68 77 190 175 137 105 176 218 0.953 38.84 447.2 75 97 96 98 272 3.6 0.008 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4651 1868.8 9.2 scans 31% 74 m/z (133) 1.1% 0.0244% 6027 1.0 131 55023 2491525 2363329 1-4 11: 74 87 75 73 256 59 257 101 213 229 88 0.880 39.45 507.3 67 95 87 95 256 19.2 2.146 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9657 1930.9 >22 scans 94% 95 m/z 0.018% 8.54% 6112 0.1 1767 3573318 8.90% 870043743 870043743 905744199 0-0 20: 95 68 123 82 69 81 55 41 43 67 57 83 97 109 96 124 71 137 79 110 1.000 39.94 561.8 81 100 100 100 278 121.3 0.472 0.030 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0011 1935.3 >4 scans 48% TIC 0.29% 0.0313% 6118 1.7 330 224235 0.0729% 3194873 3194873 7418961 0-0 0.930 39.88 567.0 71 93 87 92 250 36.2 1.204 0.118 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3565 1979.3 7.4 scans 32% 149 m/z (268) 0.20% 0.0399% 6178 1.0 186 321756 4062287 3866048 2-3 5: 149 150 104 76 50 0.953 40.31 604.4 68 91 90 98 223 35.8 3.711 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N406_R~1-N1110 Phytol 40.4114 1986.1 >9 scans 40% TIC 1.1% 0.0188% 6187 1.3 201 55623 0.0466% 1915237 1915237 4742436 0-0 0.839 40.66 -31.1 80 88 83 88 278 20.7 1.056 -0.251 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6133 2011.2 7.2 scans 17% 221 m/z (134) 1.1% 0.0238% 6221 1.2 145 54833 2424297 2230578 2-3 14: 221 73 295 222 207 369 281 296 208 74 341 401 265 371 0.719 40.63 631.1 71 96 91 98 369 23.4 2.595 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1254 Phytol 40.8778 2044.0 8.4 scans 44% 82 m/z (119) 1.0% 0.0693% 6266 0.8 222 64547 7062409 6617426 4-1 8: 82 81 95 68 123 96 124 278 0.949 40.87 1.3 92 96 93 97 278 29.2 1.730 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0336 2063.3 9.0 scans 49% 138 m/z 0.33% 0.101% 6292 0.8 281 196225 10281526 9543591 2-2 15: 138 120 109 69 121 124 83 195 139 65 82 92 262 68 266 0.799 41.00 677.5 77 100 92 99 262 36.5 1.678 0.033 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N407_R~1-N1144 ? Sclareoloxide 41.1251 2074.6 9.2 scans 35% 109 m/z (85) 1.7% 0.0550% 6308 1.1 193 36882 5601752 5027357 0-2 19: 109 191 262 81 123 177 43 121 135 247 137 79 136 149 237 80 93 148 150 0.944 41.13 686.8 71 94 88 95 262 38.9 4.040 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2662 2092.1 8.3 scans 64% 79 m/z (170) 0.26% 0.218% 6332 1.0 405 249793 22259453 20759959 2-2 20: 79 67 93 95 80 108 121 55 91 41 81 94 77 107 87 135 59 78 122 66 0.952 41.26 1.1 96 98 99 99 264 26.9 0.443 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4539 2115.4 8.1 scans 51% 205 m/z 0.62% 0.0950% 6364 0.9 281 105850 9675892 9026978 2-2 15: 205 217 175 189 220 177 232 261 191 203 192 233 161 221 176 0.857 41.49 -81.2 83 98 83 97 276 19.8 0.494 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4846 2119.1 16.0 scans 12% 71 m/z (205) 2.8% 0.0228% 6369 0.4 104 23208 2328062 2223829 1-1 16: 71 85 99 263 113 225 100 155 253 213 140 182 86 167 196 223 0.781 41.48 0.1 66 79 76 78 268 3.2 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6682 2129.4 8.9 scans 48% 69 m/z (71) 0.29% 0.114% 6400 0.8 279 223179 0.129% 11628661 10599092 13128202 0-3 17: 69 93 81 41 67 133 120 79 107 68 95 161 53 77 121 134 70 0.963 41.75 731.9 76 99 96 98 272 15.0 0.288 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0395 2150.2 8.9 scans 46% 74 m/z 0.026% 0.990% 6463 0.8 865 2449980 100791933 93031567 3-4 20: 74 87 55 143 43 75 227 270 57 83 239 129 97 185 171 71 56 42 84 98 0.784 42.01 748.2 76 98 86 97 272 9.9 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0472 2150.7 9.9 scans 42% 93 m/z (74) 0.10% 1.05% 6464 0.8 826 630825 107791923 100523569 3-3 20: 93 105 107 81 119 91 121 79 229 67 95 77 109 135 272 149 134 120 53 108 0.899 42.05 0.1 97 99 91 99 272 95.2 1.327 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3424 2167.2 7.9 scans 54% 73 m/z 0.13% 0.185% 6514 1.2 389 476383 18882079 17849748 2-4 19: 73 281 221 355 429 503 207 341 282 222 283 430 74 356 504 415 295 505 357 0.973 42.37 758.2 72 90 89 97 503 64.6 2.759 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4002 2170.5 9.1 scans 84% 161 m/z (125) 0.097% 0.857% 6524 0.8 778 670970 87224038 79578416 3-2 20: 161 91 79 93 105 81 77 119 107 133 67 41 95 121 229 55 162 69 109 120 0.986 42.40 0.1 97 99 97 99 272 54.6 0.493 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3023 2221.1 10.1 scans 0.64% 263 m/z (202) 2.5% 0.00544% 6677 1.7 54 25837 554000 490047 5-6 6: 263 235 278 221 240 279 0.067 43.31 -0.3 74 96 16 83 278 21.1 15.074 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.8524 2252.0 >16 scans 5.0% 142 m/z 2.4% 0.00508% 6770 1.0 81 26535 517075 443356 3-1 20: 142 174 145 128 227 215 106 131 118 163 146 253 188 271 140 172 274 176 228 125 0.093 42.99 48.4 66 82 23 77 272 46.8 0.000 0.862 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 43.8707 2253.0 8.9 scans 53% 121 m/z (157) 0.51% 0.124% 6773 0.8 290 128028 12660802 11607767 4-3 11: 121 136 93 272 71 107 85 77 68 161 137 0.976 43.15 40.2 64 72 69 75 272 50.8 3.058 0.717 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1234 Thunbergol 44.9127 2312.9 10.8 scans 67% 43 m/z (185) 0.44% 0.298% 6950 0.9 440 148780 30363903 28223714 1-1 20: 43 81 109 67 95 121 69 97 93 229 71 41 123 55 189 149 161 79 136 135 0.953 44.90 0.7 97 99 95 99 272 31.3 0.506 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N6_REP1-N1180 ? UNK Alkene structure 2 45.0254 2319.4 10.3 scans 73% 131 m/z 0.10% 1.05% 6969 0.6 927 646345 1.38% 107711088 107467569 140441235 2-0 20: 131 105 91 145 119 133 157 159 134 171 270 77 143 93 129 79 227 81 147 128 0.909 44.99 859.0 78 98 95 100 270 139.9 2.278 0.036 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5231 2348.0 9.9 scans 85% 81 m/z 0.039% 1.77% 7053 0.5 1111 1649343 2.03% 180504060 165915832 206591092 3-0 20: 81 43 71 79 107 95 93 41 109 55 69 67 135 53 149 97 94 133 121 123 0.969 45.47 878.1 79 100 99 99 288 46.3 0.174 0.049 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7934 2363.6 7.8 scans 5.7% 73 m/z (105) 0.73% 0.0372% 7099 1.0 172 88774 3795312 3419831 2-4 20: 73 355 221 281 356 357 207 282 222 429 341 415 74 328 358 401 327 416 267 431 0.634 45.78 1.0 91 97 85 96 503 16.7 0.945 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1228 2382.5 9.5 scans 54% 79 m/z (159) 0.090% 0.672% 7155 0.7 648 726884 68394162 63150667 2-2 20: 79 95 67 93 108 80 81 55 41 94 135 69 109 87 59 149 78 68 136 74 0.963 46.13 -0.7 89 92 92 94 292 47.1 0.528 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7657 2419.5 8.1 scans 35% 74 m/z (133) 0.75% 0.0318% 7263 1.1 157 87519 3236422 2914429 3-4 13: 74 87 75 298 143 255 101 199 256 59 88 299 213 0.937 46.76 924.4 71 96 89 95 298 30.0 3.665 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5060 2462.2 7.6 scans 27% 138 m/z 1.3% 0.0134% 7389 1.1 114 47921 1369885 1263830 1-3 8: 138 120 121 139 70 111 92 168 0.697 47.50 949.4 75 97 68 96 168 15.6 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6896 2472.7 7.5 scans 12% 73 m/z (187) 5.7% 0.00457% 7420 0.9 60 11364 465759 420174 1-3 13: 73 221 147 369 222 370 207 371 297 296 355 208 281 0.670 44.32 1025.4 65 97 82 97 369 14.0 5.444 3.370 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9352 2544.4 8.0 scans 47% 73 m/z (187) 1.2% 0.0212% 7631 1.2 130 51872 2166874 2088475 1-5 19: 73 147 355 221 429 281 430 356 207 401 325 279 295 357 282 266 148 342 431 0.858 48.95 994.0 72 97 91 99 429 34.8 7.121 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8567 2712.5 8.1 scans 51% 73 m/z 1.9% 0.0122% 8126 1.1 99 33371 1242652 1172129 2-5 20: 73 147 221 281 355 429 430 503 207 295 356 505 357 209 401 282 74 283 415 223 0.790 51.86 1081.6 75 99 80 97 503 15.2 2.360 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6283 2872.0 9.1 scans 38% 73 m/z (57) 4.8% 0.00586% 8596 1.1 62 13590 596345 535394 2-4 12: 73 355 147 281 431 282 74 148 430 341 356 401 0.728 45.81 1395.5 67 95 76 94 503 8.3 1.799 8.816 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1030 ? Pentacosane 54.6620 2873.9 8.8 scans 25% 57 m/z (73) 9.7% 0.00366% 8601 1.6 47 6764 373092 313215 3-4 9: 57 71 85 99 83 113 56 70 111 0.759 54.79 -7.4 70 79 68 74 352 0.0 0.000 -0.128 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP2.FIN HCMIX_~1-N1034 ? Heptacosane 59.7943 3169.2 12.8 scans 46% TIC 4.3% 0.00646% 9471 1.0 63 15150 657475 610315 4-5 0.643 59.97 -9.9 77 83 58 77 380 4.1 0.000 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1562 772.5 >24 scans 58% 77 m/z (43) 0.44% 0.0431% 45 2.2 107 132750 0.0437% 3618469 3428951 3665050 0-2 10: 77 63 76 45 62 78 79 75 47 46 0.980 4.37 18.5 97 99 97 99 77 93.2 75.581 -0.215 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1016 ? Pivalic acid 6.1273 823.8 13.4 scans 47% 57 m/z (44) 1.8% 0.0125% 380 0.7 65 31906 1048675 908040 1-5 9: 57 41 87 59 39 45 102 70 38 0.820 6.03 -137.8 71 99 88 98 102 7.9 0.000 0.094 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5163 833.9 20.2 scans 59% 207 m/z 0.76% 0.0267% 446 3.1 91 77473 2246428 1991290 2-3 18: 207 209 191 119 177 192 147 163 193 161 210 103 89 176 67 135 149 82 0.720 6.53 -142.9 79 100 82 99 207 71.2 61.080 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6291 862.9 8.7 scans 77% 41 m/z 1.8% 0.0329% 634 2.2 131 32945 2766933 2377660 4-4 20: 41 69 55 83 42 39 57 98 70 56 97 80 53 43 65 54 79 68 40 38 0.925 7.71 7.6 100 100 93 99 98 28.3 4.713 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1018 ?? Pyranone 12.0147 977.1 10.6 scans 12% 101 m/z (57) 17% 0.00131% 1377 1.4 24 3415 109903 109903 0-0 2: 101 144 0.642 18.22 -66.4 62 87 51 85 144 11.7 22.702 -6.206 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2207 982.4 12.9 scans 40% 281 m/z 0.74% 0.0261% 1411 2.5 100 79827 2193728 1978973 2-2 19: 281 282 99 71 283 193 265 249 134 191 177 192 235 179 42 207 73 203 58 0.584 12.22 36.1 93 100 84 99 281 72.3 52.407 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2201 1008.8 10.5 scans 86% 81 m/z 0.17% 0.126% 1581 1.9 235 332144 10595466 9466055 2-3 20: 81 110 53 39 41 79 67 68 77 65 82 51 50 66 55 40 109 54 52 111 0.969 13.22 45.2 92 98 97 98 110 64.0 7.429 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1016 Limonene 13.8913 1027.0 8.0 scans 85% 68 m/z (57) 0.57% 0.0774% 1695 1.2 211 102556 6495907 5853088 2-8 20: 68 93 67 94 79 136 92 107 121 91 53 77 39 41 80 95 81 105 65 123 0.955 13.89 51.7 90 100 99 99 136 41.0 3.759 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1865 1035.0 >17 scans 62% 79 m/z 1.9% 0.0229% 1745 0.8 90 29897 0.0313% 1927826 1820522 2625081 0-2 14: 79 108 107 77 89 65 51 91 78 74 38 80 109 39 0.875 14.11 56.0 89 98 87 98 108 42.7 22.638 0.078 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4356 1041.7 10.0 scans 91% TIC 0.12% 0.130% 1787 1.6 249 457502 10986212 10035137 2-4 0.980 14.44 56.9 91 100 99 100 120 80.1 10.375 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1712 1061.6 23.3 scans 75% TIC 0.12% 0.201% 1912 1.2 299 491658 0.324% 16934396 15702608 27173366 8-0 0.972 15.17 64.2 89 100 97 100 123 104.1 12.087 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2302 1063.2 15.8 scans 38% 94 m/z 0.28% 0.103% 1921 0.7 191 207327 8654686 8285470 1-4 11: 94 109 66 39 53 67 40 64 110 38 95 0.919 16.11 -207.0 78 98 87 97 109 107.2 31.499 -0.879 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN 98-86-2 ? Acetophenone 15.2532 1063.9 >12 scans 54% 105 m/z 0.19% 0.0986% 1926 1.5 232 309406 8271276 7802627 0-2 20: 105 77 120 51 106 43 78 50 121 65 74 63 91 76 75 49 90 61 107 86 0.962 15.29 -181.8 77 97 91 98 120 80.8 12.149 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4268 1068.6 9.6 scans 56% 95 m/z 0.51% 0.0525% 1955 1.4 164 114814 0.0563% 4409881 3570023 4721792 2-6 18: 95 81 124 43 79 53 109 65 39 41 96 82 66 67 128 50 125 72 0.825 15.43 66.9 83 97 86 97 124 49.5 9.161 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1002 Undecane 16.5968 1100.4 9.0 scans 56% 57 m/z 2.5% 0.00978% 2153 1.0 82 22992 820590 759872 1-1 20: 57 43 85 41 84 70 56 127 55 113 98 42 99 69 44 53 93 83 112 67 0.802 16.59 0.4 83 87 80 85 156 3.0 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1016 Nonanal 16.7728 1107.8 8.3 scans 79% 57 m/z (126) 0.71% 0.0767% 2183 1.2 203 83071 6434972 5637075 4-5 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 71 54 114 0.938 16.82 85.4 80 99 95 99 124 12.5 0.376 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1008 ?? Maltol 16.9422 1115.0 9.5 scans 35% 126 m/z (267) 1.7% 0.0223% 2212 1.4 106 34808 1878491 1674904 1-5 10: 126 97 70 53 56 127 156 52 38 37 0.449 16.96 90.4 63 96 53 94 156 7.9 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9546 1115.5 9.5 scans 39% 71 m/z 0.99% 0.0226% 2214 1.5 114 59491 1898975 1692240 1-7 20: 71 95 43 110 58 128 55 119 69 41 120 113 72 84 78 85 42 106 57 121 0.663 16.97 90.8 71 96 78 95 128 30.3 7.023 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0543 1119.7 >16 scans 22% TIC 3.5% 0.00364% 2231 10.6 53 16900 305993 296901 0-2 0.703 17.05 93.7 75 98 88 97 122 17.4 10.670 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0786 1163.0 9.5 scans 68% 73 m/z 0.73% 0.0347% 2404 1.6 139 80617 2910564 2698765 2-2 20: 73 355 267 356 357 269 207 268 251 249 223 74 359 193 250 45 162 323 154 358 0.866 18.13 -168.7 79 99 83 98 355 62.4 20.294 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1012 ? Nicotine 18.2267 1169.3 7.7 scans 2.2% 77 m/z 24% 0.000238% 2429 1.2 13 2408 19992 15975 2-3 3: 77 133 91 0.314 25.78 14.0 73 100 100 100 162 0.0 0.000 -7.551 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3625 1175.0 8.5 scans 4.6% 281 m/z (83) 11% 0.000884% 2452 2.0 22 5153 74156 67338 1-1 5: 281 283 207 133 193 0.545 12.25 21.9 79 94 56 92 281 18.4 67.886 6.112 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN M4942-N1002 Pyranone 18.5089 1181.2 16.4 scans 90% 43 m/z 0.11% 0.516% 2477 0.3 421 516643 43331148 40833793 1-4 20: 43 144 101 44 72 73 55 45 115 42 145 58 71 53 56 74 54 85 59 113 0.985 20.04 -209.3 80 99 97 99 144 181.2 18.539 -1.533 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7037 1189.4 8.4 scans 38% 111 m/z (59) 8.4% 0.00621% 2510 1.2 62 7006 520817 470740 1-1 20: 111 82 98 69 55 93 43 125 84 80 70 94 112 41 126 97 79 95 107 96 0.849 18.71 138.6 69 97 84 96 153 4.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8277 1194.7 9.1 scans 61% 70 m/z (88) 2.5% 0.0289% 2531 0.9 124 23146 2425089 2161828 2-8 19: 70 41 55 83 69 43 57 39 84 81 42 56 67 98 93 97 72 68 58 0.946 18.83 142.0 67 87 90 99 122 8.5 0.464 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1234 1207.2 8.8 scans 34% 82 m/z 3.2% 0.00513% 2581 1.2 54 18383 430425 370362 1-9 4: 82 81 39 54 0.769 19.12 150.1 77 100 77 98 97 9.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2368 1211.9 9.2 scans 12% 91 m/z (115) 12% 0.00148% 2600 2.2 27 4745 124780 103363 6-1 2: 91 120 0.752 13.76 12.4 71 80 62 79 134 10.7 15.370 5.480 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8224 1236.7 13.5 scans 79% TIC 0.34% 0.105% 2699 0.8 212 172882 8842409 7913392 3-3 0.905 19.81 169.2 78 99 96 99 144 0.0 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1004 Dodecane 20.3230 1257.8 12.4 scans 50% 43 m/z (131) 2.3% 0.0151% 2784 0.9 76 25320 1268347 1156025 1-1 6: 43 41 70 72 98 44 0.759 20.32 0.1 89 98 78 95 170 8.4 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1034 ? Decanal 20.5225 1263.8 8.2 scans 77% 57 m/z (110) 1.0% 0.0629% 2818 1.1 191 55219 5275919 4721723 3-2 19: 57 41 55 43 70 82 68 71 44 67 56 83 81 112 69 96 42 84 39 0.960 20.57 -143.2 76 98 96 100 138 10.5 0.306 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1024 ? Hexadecane 20.7734 1271.3 >12 scans 48% TIC 1.0% 0.0269% 2861 1.0 124 56167 0.0541% 2262997 2070141 4537281 2-0 0.773 33.32 4.3 76 77 86 82 226 0.0 0.000 -12.546 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9871 1277.7 9.2 scans 60% 137 m/z (94) 1.2% 0.0412% 2897 1.0 149 47794 3457613 3166461 2-4 11: 137 152 109 123 81 67 91 153 110 124 121 0.865 21.00 192.4 61 84 69 83 155 0.0 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.0426 1279.4 9.2 scans 53% 94 m/z 0.38% 0.0354% 2906 1.0 141 155895 2973418 2647923 5-1 9: 94 138 77 66 45 50 148 76 139 0.875 20.98 194.4 77 97 79 96 152 4.0 0.000 0.060 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4541 1291.7 6.6 scans 4.3% 147 m/z 11% 0.000878% 2975 1.1 27 5228 73612 68300 1-2 3: 147 281 283 0.464 21.56 -147.0 62 95 42 91 369 9.2 0.000 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.4771 1292.4 20.2 scans 44% 55 m/z (97) 2.3% 0.0244% 2980 0.9 81 24793 2050208 1822568 2-2 7: 55 67 101 65 106 96 77 0.735 20.03 221.7 67 88 81 94 122 35.6 19.416 1.448 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0078 1308.4 8.3 scans 65% 175 m/z 0.11% 0.115% 3070 1.0 267 532086 9672382 8706371 4-4 19: 175 57 190 176 91 147 115 117 105 191 80 128 77 131 129 159 58 145 103 0.931 22.01 208.0 79 99 86 99 190 75.7 8.038 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9193 1335.7 15.4 scans 50% 43 m/z (71) 0.43% 0.109% 3224 1.2 189 136098 9150263 8308231 3-3 10: 43 170 58 88 59 82 128 54 44 119 0.687 22.91 222.1 66 93 81 93 127 24.3 1.640 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1016 ? Nicotine 24.0385 1369.9 16.7 scans 77% 60 m/z (85 99) 0.14% 0.375% 3414 0.1 387 401869 0.492% 31488536 30806891 41263259 1-0 20: 60 73 57 41 55 115 129 43 61 98 69 87 45 39 56 83 42 74 70 96 0.993 25.35 220.7 70 93 93 96 162 0.0 0.000 -1.315 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1040 ? Nonanoic acid 24.0385 1369.9 16.7 scans 79% 60 m/z 0.15% 0.333% 3414 0.1 391 389824 0.437% 27976939 27371311 36650496 1-0 20: 60 73 57 41 55 115 129 43 61 98 69 87 45 39 56 83 42 74 70 96 0.969 22.70 -105.4 77 97 95 99 158 27.8 0.507 1.343 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1011 1372.0 8.3 scans 78% TIC 0.19% 0.132% 3424 1.1 296 301868 11097168 10097445 1-3 0.949 24.17 -151.8 80 100 95 100 429 88.4 8.896 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.5763 1387.9 8.3 scans 65% 71 m/z 0.79% 0.0357% 3505 1.0 154 74755 2998852 2669792 2-10 18: 71 57 85 43 41 70 84 113 127 99 55 155 56 169 112 42 72 141 0.903 24.54 250.6 77 99 90 98 169 18.2 0.000 0.034 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.5763 1387.9 8.3 scans 70% 71 m/z (125) 0.79% 0.0442% 3505 1.0 160 74523 3710074 3302972 2-10 18: 71 57 85 43 41 70 84 113 127 99 55 155 56 169 112 42 72 141 0.962 23.86 23.9 77 82 92 82 184 0.0 0.000 0.714 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.8443 1396.8 11.8 scans 47% 83 m/z (87) 1.9% 0.0259% 3550 1.3 102 30927 2172362 1887142 3-4 9: 83 142 82 58 56 89 100 128 132 0.941 24.70 257.2 65 86 89 95 170 4.3 0.000 0.148 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1032 ?? Dodecane 24.9276 1399.6 26.2 scans 50% 57 m/z (83) 2.2% 0.0250% 3564 1.6 97 25970 0.0362% 2099804 2020934 3036037 0-1 18: 57 85 71 84 99 155 127 72 97 74 136 98 113 42 112 41 70 192 0.853 20.36 -0.6 61 60 78 80 170 0.0 0.000 4.570 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1004 Nicotine 25.5675 1421.0 >26 scans 94% TIC 0.0085% 10.9% 3673 0.4 1565 6911025 916560345 875488598 0-2 0.999 25.89 264.0 80 99 99 99 162 450.6 8.290 -0.325 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN GLAU_R~1-N1080 ? Solanone 25.7847 1428.2 7.5 scans 74% 93 m/z 0.19% 0.121% 3710 1.0 296 298363 10148919 9588481 2-1 20: 93 121 43 136 91 79 77 81 194 94 41 95 123 71 107 108 67 137 55 122 0.936 25.78 272.9 77 98 91 98 194 44.3 2.252 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0911 1471.9 6.5 scans 52% 221 m/z 1.6% 0.0132% 3931 0.9 104 36882 1112538 1064181 2-1 20: 221 73 147 281 222 267 355 223 148 131 283 282 443 444 268 356 207 74 357 149 0.857 27.12 297.0 76 97 81 96 355 20.9 3.993 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1679 1474.4 8.0 scans 69% 57 m/z (132) 0.89% 0.0315% 3944 1.1 139 66548 0.0457% 2645877 2532375 3832786 1-0 18: 57 71 85 43 41 56 99 70 55 113 112 141 98 42 127 83 126 169 0.965 27.21 -1.4 94 98 95 97 198 17.3 1.531 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1032 ? Myosmine 27.9453 1503.5 9.6 scans 69% 118 m/z (114) 0.23% 0.157% 4075 2.0 262 249737 13178925 11931004 1-2 20: 118 146 145 105 78 119 91 161 51 41 147 77 65 104 204 39 63 42 79 50 0.908 27.93 316.8 76 99 96 99 146 109.9 17.643 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6573 1530.2 7.7 scans 62% 43 m/z (163) 0.46% 0.0644% 4196 0.9 202 127230 5402323 4819553 9-2 20: 43 69 41 136 151 107 93 67 125 109 121 68 53 194 83 81 39 108 176 161 0.960 28.67 332.8 75 98 96 98 194 11.9 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0888 1546.5 7.6 scans 70% 71 m/z (118) 0.36% 0.0987% 4269 1.2 254 164045 0.143% 8283020 7957407 11993183 1-0 19: 71 57 43 85 41 70 55 113 141 56 112 99 179 183 97 84 69 42 177 0.977 29.10 342.6 71 94 95 94 227 4.8 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5168 1562.6 7.3 scans 69% 73 m/z 0.18% 0.144% 4341 0.9 324 316417 12154518 11580645 2-2 20: 73 281 147 327 282 415 341 503 283 328 221 399 416 148 504 74 342 505 325 417 0.950 29.61 -150.5 79 99 94 99 503 55.5 2.921 -0.097 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6662 1568.2 7.6 scans 53% 177 m/z (43) 0.060% 0.573% 4367 0.7 603 986311 48069058 43396723 3-2 15: 177 178 91 133 149 192 162 144 193 147 179 150 191 148 197 0.932 29.68 355.7 76 98 87 98 192 56.5 0.879 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7606 1571.7 7.9 scans 66% 123 m/z (85) 0.11% 0.113% 4383 1.0 269 523652 9484158 8940778 1-6 10: 123 135 124 107 91 109 95 79 193 108 0.974 29.77 357.7 77 98 98 98 193 22.3 0.684 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9371 1578.4 8.4 scans 76% TIC 0.20% 0.146% 4413 0.7 318 288224 12324541 10921605 2-1 0.937 30.38 -16.5 78 80 86 80 212 0.0 0.000 -0.440 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9371 1578.4 8.6 scans 74% 71 m/z 0.20% 0.163% 4413 0.7 315 294380 13721144 12885746 1-4 20: 71 85 57 43 99 41 113 69 55 127 70 84 155 56 83 169 126 86 72 42 0.926 29.94 362.0 76 96 91 97 254 8.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5003 1600.1 8.1 scans 89% 191 m/z 0.029% 0.461% 4508 1.1 552 2043956 38721244 37203221 1-3 20: 191 206 192 57 163 74 175 41 115 107 207 73 77 88 147 128 161 105 117 121 0.984 30.50 375.3 80 100 98 100 206 146.7 7.074 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8214 1613.6 8.1 scans 59% 124 m/z (71) 0.61% 0.0486% 4563 0.9 173 97049 4080260 3793733 2-2 9: 124 137 180 125 138 54 82 181 59 0.971 30.81 384.2 76 98 95 99 180 43.7 6.382 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8881 1616.4 9.5 scans 35% 162 m/z (169) 1.2% 0.0285% 4574 1.2 121 48289 2392913 2160804 4-2 15: 162 147 161 78 104 91 51 77 119 149 115 131 145 89 116 0.636 30.88 0.4 88 94 63 94 204 13.4 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9336 1618.3 9.1 scans 16% 171 m/z (162 57) 2.7% 0.00872% 4582 1.3 66 21543 731592 655503 3-5 4: 171 172 173 170 0.587 30.93 0.3 88 94 73 98 171 37.5 32.612 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2051 1629.7 10.5 scans 76% TIC 0.12% 0.308% 4628 0.9 393 492384 25898298 23241021 2-3 0.903 31.18 394.7 78 97 87 98 180 87.9 5.017 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5086 1642.5 9.2 scans 64% 43 m/z (165) 0.66% 0.0528% 4679 1.0 171 89353 4435170 4092546 2-2 20: 43 98 111 166 55 85 127 71 57 99 82 41 68 123 83 151 67 39 69 107 0.970 31.52 -0.2 95 97 96 98 166 32.7 3.653 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9200 1659.7 8.3 scans 51% 71 m/z (87) 1.7% 0.0268% 4748 0.9 130 33886 2255808 2189394 1-0 20: 71 57 83 82 55 99 97 84 56 112 169 210 98 44 68 86 110 117 142 141 0.858 31.92 0.0 76 84 89 89 219 3.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0765 1666.3 7.0 scans 34% 221 m/z (163) 1.7% 0.0127% 4775 1.1 95 34760 1070269 975529 3-6 19: 221 73 147 295 222 207 355 223 281 325 297 148 74 208 282 356 209 296 343 0.876 32.08 -0.1 95 99 86 98 355 17.2 3.288 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2323 1672.9 8.5 scans 51% 57 m/z 0.82% 0.0346% 4802 1.0 157 72228 2908646 2563246 2-1 19: 57 71 43 85 41 183 56 99 113 55 182 70 69 42 127 83 136 105 141 0.828 32.24 -0.2 85 89 81 91 226 7.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4348 1681.4 11.3 scans 34% 57 m/z 1.3% 0.0190% 4836 1.1 108 42683 1601354 1421960 1-2 20: 57 85 56 71 197 43 41 168 55 128 113 196 97 123 99 160 83 84 111 69 0.665 32.44 -0.3 84 90 66 87 226 4.3 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6674 1691.1 8.3 scans 49% 119 m/z (191) 4.2% 0.0280% 4875 1.2 131 14096 2351935 2197729 1-1 20: 119 91 159 93 107 79 133 131 43 135 120 187 106 81 92 77 146 117 67 206 0.934 32.67 -0.4 93 97 90 96 220 8.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9289 1702.1 8.0 scans 47% 71 m/z 0.24% 0.0451% 4919 1.0 176 245070 3785563 3500143 2-6 12: 71 43 111 159 243 56 72 155 143 73 98 244 0.854 32.93 -0.2 94 97 90 98 243 27.5 2.442 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0842 1708.7 7.6 scans 41% 83 m/z (123) 4.3% 0.0170% 4946 0.9 106 13568 1426320 1309613 1-1 18: 83 97 57 55 69 41 70 56 43 111 84 85 98 82 125 68 112 151 0.860 33.09 -0.0 82 84 93 98 224 5.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3044 1717.9 7.4 scans 69% 57 m/z (79) 0.40% 0.0740% 4983 0.8 221 148101 6213085 5864279 4-1 14: 57 71 43 85 99 56 70 113 226 42 84 98 112 72 0.966 33.37 -2.9 94 98 97 99 226 24.8 1.250 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8894 1728.2 7.4 scans 32% 71 m/z 1.6% 0.0122% 5082 1.3 107 36590 1025741 949541 1-1 19: 71 57 43 70 85 41 197 196 55 99 56 83 113 42 96 127 141 82 140 0.733 33.90 -0.1 84 91 78 89 197 21.8 4.125 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2654 1733.6 9.0 scans 22% 57 m/z (173) 2.4% 0.0158% 5146 1.1 94 24517 1331293 1205383 0-3 17: 57 71 85 41 161 210 196 182 98 189 141 86 127 183 58 130 142 0.619 34.27 -0.0 72 89 69 91 211 15.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.3941 1735.4 8.2 scans 95% 355 m/z 0.020% 1.90% 5168 0.8 1109 2943380 159866850 151347780 2-2 20: 355 73 221 147 281 356 415 327 267 403 207 223 385 416 325 341 339 417 328 399 0.996 34.39 452.4 81 100 99 100 415 133.3 1.446 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8274 1741.6 14.7 scans 88% 91 m/z 0.037% 0.993% 5241 0.3 609 1572031 83286008 76425472 1-2 20: 91 155 199 90 65 184 92 89 120 44 63 137 106 39 77 64 51 156 134 109 0.983 34.79 452.6 80 100 98 99 199 172.7 8.039 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9000 1742.6 7.8 scans 28% 68 m/z (71) 2.1% 0.0213% 5253 1.2 115 27935 1790412 1649328 2-3 2: 68 224 0.891 34.90 -0.1 87 91 91 93 224 15.2 1.763 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6946 1754.0 8.8 scans 49% 123 m/z (57) 0.52% 0.0595% 5389 1.2 184 113629 4992638 4677049 1-3 17: 123 193 209 124 195 224 105 121 175 181 77 91 210 165 125 167 133 0.957 35.70 451.3 75 97 92 98 224 23.1 1.581 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1186 ?? Cotinine 36.1740 1760.9 9.7 scans 26% 98 m/z (71) 0.86% 0.0298% 5469 1.4 118 68236 2505016 2186528 6-4 14: 98 176 118 175 119 78 104 51 232 177 63 80 52 64 0.775 36.19 -88.9 65 88 77 91 176 41.9 12.542 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1988 1775.5 8.1 scans 23% 209 m/z 0.90% 0.0181% 5643 0.9 112 65173 1523933 1420079 3-2 15: 209 224 165 210 167 105 103 178 181 166 179 194 193 225 152 0.735 37.20 449.2 73 96 71 95 224 39.7 12.673 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1016 Octadecane 37.3027 1777.0 9.2 scans 56% 71 m/z (91) 0.80% 0.0644% 5661 1.4 184 73723 5405171 4967231 0-3 20: 71 85 57 43 99 113 84 169 127 41 55 69 70 56 155 97 111 154 210 126 0.959 38.91 -23.0 81 88 94 87 254 3.6 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0677 1788.0 8.1 scans 55% TIC 0.57% 0.0359% 5790 1.1 188 103756 3015357 2757002 1-2 0.916 38.06 448.3 76 97 91 97 225 36.5 3.771 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5843 1795.3 8.6 scans 93% 73 m/z 0.019% 2.03% 5878 0.9 1112 2967639 171066908 159208292 3-2 20: 73 429 147 221 355 430 281 341 431 207 356 401 222 357 148 342 295 267 325 223 0.994 38.59 447.2 80 99 98 99 429 331.7 8.915 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N406_R~1-N1108 ? Solavetivone 38.9355 1803.2 13.8 scans 92% TIC 0.059% 3.25% 5937 0.3 1150 1000579 273330725 259514183 1-1 0.991 38.84 451.2 77 96 97 96 272 0.0 0.000 0.093 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N407_R~1-N1122 ?? Longipinocarvone 38.9361 1803.2 13.8 scans 76% 108 m/z (203) 0.056% 2.88% 5937 0.3 1050 1051417 242175821 229643989 1-1 20: 108 91 147 161 93 109 107 67 137 121 175 120 176 77 68 105 218 148 119 95 0.966 32.60 547.0 60 83 80 82 218 12.8 0.000 6.340 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4585 1868.0 8.5 scans 33% 74 m/z (133) 1.1% 0.0284% 6026 1.0 130 50680 2387430 2238233 1-3 12: 74 87 75 213 102 256 225 101 60 59 73 61 0.928 39.45 506.5 69 92 90 98 256 17.6 1.851 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8765 1919.8 17.3 scans 94% 95 m/z 0.022% 6.67% 6097 0.2 1510 2690971 559567501 524091203 0-10 20: 95 82 123 81 57 55 69 43 67 41 97 96 71 124 111 79 110 85 70 56 0.999 39.94 550.7 81 100 100 100 278 96.7 0.410 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9338 1926.9 6.6 scans 64% TIC 0.39% 0.0709% 6106 1.5 284 151466 5949491 5089338 1-2 0.953 39.88 558.6 76 97 95 97 250 29.1 1.045 0.051 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3311 1976.2 8.0 scans 37% 149 m/z 0.16% 0.0511% 6173 1.0 184 366912 4288126 3918041 3-3 8: 149 150 223 104 76 167 205 50 0.850 40.31 601.3 77 98 78 97 223 42.1 5.218 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N406_R~1-N1110 ? Phytol 40.3984 1984.5 5.8 scans 10% TIC 3.1% 0.00141% 6185 1.1 82 18604 118471 110783 0-1 0.542 40.66 -32.7 72 85 46 82 278 13.5 2.697 -0.264 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6156 2011.5 7.0 scans 13% 221 m/z (241) 2.4% 0.00996% 6222 1.1 84 24285 836071 766951 1-4 14: 221 73 295 281 207 222 296 341 370 297 282 369 279 265 0.863 40.63 631.4 70 97 84 96 369 15.5 3.388 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1254 ? Phytol 40.8647 2042.3 9.1 scans 20% 82 m/z (97) 2.0% 0.0284% 6264 0.9 115 28800 2382389 2166289 3-2 13: 82 68 95 81 123 278 109 96 124 176 137 80 110 0.722 40.87 -0.4 71 79 49 82 278 19.3 2.813 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BQLD_R~1-N1056 ? Homosalate 41.0129 2060.7 8.4 scans 36% 138 m/z 0.57% 0.0548% 6289 1.0 200 103793 4600194 4326511 1-1 18: 138 109 120 69 121 124 195 83 139 65 82 262 266 92 223 93 68 39 0.771 41.00 674.9 75 99 90 99 262 26.3 1.743 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N407_R~1-N1144 ? Sclareoloxide 41.1127 2073.1 9.2 scans 60% 109 m/z 0.38% 0.198% 6306 1.0 357 153374 16627805 16021425 1-1 20: 109 191 81 262 95 123 43 121 177 107 229 69 93 137 79 41 135 55 136 91 0.834 41.13 685.3 79 99 82 98 262 74.3 4.336 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2650 2092.0 8.2 scans 82% 79 m/z (155) 0.13% 0.443% 6332 0.8 525 451746 37182869 35095193 2-2 20: 79 67 93 95 80 91 108 121 55 41 81 94 77 107 87 135 59 122 105 66 0.980 41.26 1.0 97 98 98 100 264 36.3 0.476 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4509 2115.0 8.3 scans 59% 205 m/z (268) 0.71% 0.115% 6363 1.0 266 83010 9651975 9042126 2-2 15: 205 217 175 189 220 177 232 261 191 203 206 192 161 117 222 0.957 41.49 -81.6 82 99 96 99 276 16.9 0.401 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6605 2129.0 8.7 scans 34% 69 m/z (105) 0.71% 0.0508% 6399 0.7 166 82925 0.0570% 4266494 3914065 4780499 0-3 14: 69 93 81 41 133 67 120 79 68 107 121 134 53 161 0.826 41.75 731.5 66 95 89 93 272 7.0 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.1871 2158.5 8.0 scans 53% TIC 1.1% 0.0618% 6488 1.1 250 49956 5183307 4776907 1-2 0.925 42.05 7.9 76 76 74 76 272 14.8 0.349 0.142 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3394 2167.1 8.4 scans 48% 73 m/z (182) 0.13% 0.239% 6514 1.0 378 440437 20091547 18902355 2-3 19: 73 281 221 355 429 503 207 341 282 356 222 430 283 504 74 415 505 461 357 0.978 42.37 758.1 71 91 91 97 503 62.5 2.731 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 42.3771 2169.2 >5 scans 0.48% 182 m/z 2.3% 0.00231% 6520 0.0 55 25256 0.00401% 193979 138079 336312 9-0 13: 182 242 89 259 142 218 255 241 271 228 125 99 126 0.008 42.99 -34.4 74 88 2 80 272 44.2 0.000 -0.613 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3996 2170.5 9.2 scans 87% 161 m/z (182) 0.069% 1.35% 6524 0.7 864 859335 113328821 104563923 3-1 20: 161 91 79 93 105 81 77 119 107 133 67 229 41 95 121 55 162 109 69 120 0.976 42.40 0.1 97 99 98 99 272 65.2 0.569 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 43.5436 2234.7 8.9 scans 2.4% 70 m/z (105) 3.2% 0.0141% 6717 0.9 83 18453 1188705 983712 10-3 12: 70 257 272 216 217 163 190 258 177 273 230 286 0.254 43.55 -0.5 64 83 11 72 272 22.3 7.212 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.8624 2252.6 8.9 scans 51% 121 m/z (156) 0.36% 0.152% 6772 0.8 284 163732 12784959 11627295 3-3 10: 121 136 93 91 77 68 161 122 94 92 0.745 43.15 39.8 70 80 59 79 272 60.4 4.529 0.708 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1238 Trachylobane 44.1399 2268.4 >6 scans 18% TIC 2.8% 0.00205% 6819 999.0 110 21070 0.0198% 172682 172682 1660595 0-0 0.671 44.15 -0.9 80 86 51 84 272 19.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N419_R~1-N1158 ? Manool oxide 44.2881 2277.0 8.9 scans 39% 275 m/z (221) 1.1% 0.0735% 6843 0.8 202 53661 6168368 5649804 3-3 10: 275 257 192 177 137 191 276 258 82 68 0.963 43.83 839.4 72 95 89 94 275 55.0 7.456 0.461 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1234 Thunbergol 44.9097 2312.7 10.3 scans 76% 43 m/z (259) 0.25% 0.599% 6949 1.0 544 233684 50255168 45059899 2-1 20: 43 81 109 67 121 107 93 69 97 55 71 123 41 229 136 149 189 79 135 147 0.997 44.90 0.5 96 97 97 98 272 37.7 0.479 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N6_REP1-N1180 ? UNK Alkene structure 2 45.0100 2318.5 10.2 scans 64% 105 m/z 0.12% 0.864% 6966 0.7 738 480844 1.25% 72513092 72513092 104835515 0-0 20: 105 131 145 91 119 133 159 134 171 143 129 77 93 227 79 81 117 147 128 115 0.843 44.99 858.1 79 100 88 100 270 120.8 2.682 0.021 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BQLD_R~1-N1054 ?? Manool 45.2072 2329.9 10.9 scans 62% 137 m/z (107) 0.098% 0.946% 7000 0.8 680 600950 1.47% 79360734 75744094 123286566 1-0 20: 137 95 257 81 93 69 123 109 121 55 67 80 177 136 41 71 189 119 91 134 0.939 45.16 866.2 65 88 74 89 272 59.5 0.766 0.048 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5106 2347.3 9.5 scans 87% 81 m/z 0.043% 1.75% 7051 0.6 997 1367286 2.03% 147238906 139844858 170252877 2-0 20: 81 43 71 79 107 95 93 41 109 55 135 67 53 69 149 97 133 94 121 137 0.980 45.47 877.4 79 99 99 100 288 42.6 0.183 0.037 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7940 2363.6 8.0 scans 4.8% 73 m/z (183) 0.79% 0.0368% 7099 1.1 152 74898 3092640 2870908 2-3 20: 73 355 221 281 356 357 207 429 295 325 222 282 430 267 283 415 74 503 327 401 0.861 45.78 1.0 91 96 76 95 503 15.3 1.021 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1305 2383.0 9.2 scans 80% 79 m/z (159) 0.063% 1.05% 7156 0.7 751 940568 88560447 79963456 2-3 19: 79 95 67 93 108 80 81 55 94 41 77 135 69 59 149 109 78 136 68 0.988 46.13 -0.2 92 94 96 97 292 57.0 0.576 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7680 2419.7 13.8 scans 46% TIC 0.50% 0.0683% 7264 0.9 186 116918 5730096 4811624 2-3 0.800 46.76 924.6 75 96 78 94 298 36.3 3.817 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.0573 2436.3 11.2 scans 42% 93 m/z (82) 3.4% 0.0545% 7313 1.8 155 16990 0.0606% 4575117 4172117 5082426 1-0 20: 93 159 107 81 67 59 201 121 79 55 123 164 95 91 109 69 53 41 273 83 0.901 47.36 -17.2 60 64 69 72 272 12.8 0.684 -0.299 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5006 2461.9 7.3 scans 10% TIC 3.2% 0.00147% 7388 1.2 59 18160 123452 110046 1-1 0.395 47.50 949.1 69 96 42 93 168 8.4 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6889 2472.7 7.4 scans 15% 221 m/z (131) 4.5% 0.00611% 7420 1.0 65 13025 512450 463234 1-4 14: 221 73 295 369 222 296 281 279 370 355 356 297 357 371 0.786 44.32 1025.4 69 97 89 97 369 14.8 5.204 3.369 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N419_R~1-N1164 ? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8519 2539.6 11.6 scans 52% 177 m/z (73) 2.3% 0.0574% 7618 0.9 158 24946 4817032 4414864 2-1 8: 177 71 137 191 82 192 195 113 0.908 48.96 988.8 73 97 87 95 290 13.9 0.768 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9292 2544.1 7.7 scans 42% 73 m/z (246) 1.0% 0.0294% 7630 1.1 135 56523 2471819 2194903 5-5 19: 73 355 221 429 281 356 430 357 431 222 207 295 341 74 282 415 267 432 223 0.874 48.95 993.7 70 94 88 98 429 36.8 7.423 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN N419_R~1-N1166 ?? Pimara-7,15-dien-3-one 49.9393 2602.2 9.4 scans 35% 151 m/z (105) 7.8% 0.0117% 7801 1.1 80 7532 981382 947683 1-1 14: 151 120 107 93 160 123 80 258 133 137 94 135 121 173 0.692 49.99 1024.8 63 94 67 89 286 4.6 0.000 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8455 2711.8 8.2 scans 49% 73 m/z 1.5% 0.0174% 8124 1.2 104 37840 1464478 1303228 3-4 20: 73 147 221 429 355 281 222 295 503 430 356 505 207 282 343 369 358 504 74 339 0.755 51.86 1080.9 75 98 76 96 503 16.3 2.455 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1030 ?? Pentacosane 54.6613 2873.9 9.3 scans 21% 57 m/z (73) 11% 0.00341% 8601 1.7 40 5147 286768 267329 2-3 11: 57 85 71 43 69 113 141 55 56 99 111 0.687 54.79 -7.4 62 72 62 67 352 0.0 0.000 -0.129 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP3.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7748 3168.0 12.1 scans 43% 99 m/z (56) 7.1% 0.00585% 9467 1.9 48 8347 491231 460823 2-0 4: 99 41 83 86 0.708 59.97 -11.1 64 72 63 67 380 0.0 0.000 -0.192 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2863 775.8 28.5 scans 39% 62 m/z (45) 0.80% 0.0311% 67 0.7 81 72624 2645922 2305766 0-6 5: 62 79 92 47 61 0.874 4.37 21.8 95 98 96 99 77 67.0 68.620 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5874 835.8 21.0 scans 64% 207 m/z 0.55% 0.0349% 458 2.9 104 105068 2971813 2767558 1-2 15: 207 209 191 192 133 193 177 210 39 161 165 115 176 67 105 0.770 6.53 -141.0 79 100 83 99 207 80.6 60.260 0.059 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6854 864.3 8.8 scans 86% 55 m/z 0.77% 0.0788% 643 2.2 196 75841 6703866 6175145 1-3 20: 55 41 69 83 39 42 57 98 70 97 80 56 43 53 54 40 79 68 65 51 0.964 7.71 9.0 100 99 96 99 98 41.4 4.473 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7540 996.3 11.4 scans 52% TIC 0.57% 0.0398% 1502 2.0 131 101595 3389374 3104911 1-3 0.654 12.22 50.0 87 96 59 97 281 79.3 36.700 0.534 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1022 ?? Octanal 13.3934 1013.5 8.4 scans 56% 41 m/z (83 103) 3.6% 0.0222% 1611 1.4 107 16294 1890669 1689173 0-4 18: 41 57 84 56 55 69 42 82 100 53 39 81 67 71 54 95 70 40 0.825 12.96 -161.3 69 95 94 98 110 12.2 0.000 0.438 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.6814 1021.3 12.3 scans 83% 81 m/z 0.20% 0.119% 1659 2.0 211 287371 10120562 9201993 2-2 19: 81 110 53 39 67 79 41 68 77 65 82 51 50 55 109 66 40 52 111 0.955 13.22 57.7 89 98 96 98 110 58.2 7.635 0.459 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1016 Limonene 14.3054 1038.2 8.3 scans 72% 68 m/z 0.64% 0.0679% 1765 1.3 196 91077 0.0749% 5775536 5123440 6368555 2-4 16: 68 93 67 79 94 121 136 92 124 107 91 53 77 81 80 95 0.919 13.89 62.9 81 90 89 98 136 38.3 3.795 0.413 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.6088 1046.4 19.8 scans 47% 79 m/z (91) 3.4% 0.0169% 1816 0.8 65 17013 1443867 1265886 2-2 4: 79 108 97 89 0.910 14.11 67.4 81 97 87 97 108 32.4 24.559 0.500 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8137 1052.0 10.5 scans 92% TIC 0.075% 0.232% 1851 1.8 316 775354 19800276 18119030 2-3 0.983 14.44 67.2 89 100 99 100 120 102.4 10.538 0.372 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.3391 1066.2 10.0 scans 53% 70 m/z (95) 4.7% 0.0101% 1940 1.1 73 12243 862730 794981 2-0 18: 70 83 41 55 57 69 39 84 67 97 93 68 54 108 53 58 71 56 0.861 18.83 13.5 76 80 79 82 122 0.0 0.000 -3.491 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.5097 1070.8 >11 scans 66% TIC 0.13% 0.148% 1969 0.6 272 430105 0.475% 12603134 11827803 40388031 4-0 0.981 15.17 73.4 87 100 97 99 123 92.7 11.656 0.340 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.5652 1072.3 >11 scans 6.8% 95 m/z (105) 1.2% 0.0254% 1978 0.0 108 47748 0.0494% 2165473 2112901 4200355 1-0 5: 95 96 103 85 87 0.646 16.11 -197.9 65 89 75 90 109 47.3 19.113 -0.544 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN 98-86-2 ? Acetophenone 15.5876 1072.9 10.5 scans 54% 105 m/z 0.084% 0.239% 1982 1.1 353 693239 0.293% 20398489 18583871 24913038 0-3 20: 105 77 120 51 43 50 78 106 63 121 74 76 65 52 75 53 62 91 37 80 0.679 15.29 -172.8 79 98 96 99 120 125.5 12.636 0.295 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.5988 1100.5 11.6 scans 47% 95 m/z 1.0% 0.0200% 2154 1.6 97 56837 1708770 1562965 2-3 15: 95 81 124 79 43 65 53 55 109 96 41 115 66 123 97 0.818 15.43 98.8 72 95 82 94 124 28.2 8.454 1.166 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1002 Undecane 16.8497 1111.1 >8 scans 71% TIC 2.9% 0.00771% 2196 0.7 83 19886 655704 630535 1-0 0.936 16.59 11.1 96 97 93 97 156 9.8 1.388 0.263 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0115 1117.9 8.5 scans 89% 57 m/z (139) 0.27% 0.209% 2223 1.3 333 215759 17834459 16041261 4-4 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 42 71 54 45 0.991 16.82 -173.5 78 99 99 99 124 21.7 0.423 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1016 ? Nonanal 17.0115 1117.9 8.5 scans 87% 57 m/z 0.27% 0.190% 2223 1.3 328 216652 16167519 14541926 4-4 20: 57 41 56 55 43 98 70 44 82 69 68 81 95 96 67 39 42 71 54 45 0.975 16.82 95.5 79 98 96 97 124 21.4 0.000 0.196 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1008 ?? Maltol 17.2022 1126.0 9.7 scans 58% 71 m/z (267) 0.73% 0.0523% 2255 1.6 156 80333 4447863 4198924 1-3 18: 71 126 95 43 110 58 128 55 41 85 69 84 78 97 57 72 70 56 0.817 16.96 101.4 67 95 78 96 156 9.2 0.347 0.244 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.2022 1126.0 9.7 scans 55% 71 m/z (127) 0.73% 0.0502% 2255 1.6 153 80002 4273604 4034418 1-3 18: 71 126 95 43 110 58 128 55 41 85 69 84 78 97 57 72 70 56 0.803 16.97 101.3 71 94 88 98 128 32.2 4.415 0.234 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.3745 1133.3 11.1 scans 28% 91 m/z (115) 4.2% 0.00482% 2284 0.7 42 13770 410396 369084 2-2 3: 91 92 122 0.809 17.05 107.3 69 97 82 96 122 16.2 14.547 0.323 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN M4942-N1008 ?? Phenylethyl Alcohol 17.3745 1133.3 11.1 scans 25% 91 m/z 4.2% 0.00383% 2284 0.7 40 13727 325892 293087 2-2 3: 91 92 122 0.890 17.89 -190.9 63 89 72 88 122 16.2 16.214 -0.514 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2512 1170.3 10.8 scans 61% 73 m/z 0.91% 0.0302% 2433 1.5 121 63838 2574662 2463286 1-2 19: 73 355 267 356 357 268 269 270 249 154 358 162 193 251 177 252 59 179 339 0.873 18.13 -161.4 79 99 83 98 355 54.8 20.413 0.120 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 18.5741 1183.9 8.9 scans 8.0% 110 m/z (81) 16% 0.000574% 2488 3.0 22 3631 0.000892% 48829 40525 75844 0-3 3: 110 281 282 0.408 12.25 30.8 73 91 41 89 281 15.0 46.622 6.323 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN M4942-N1002 ? Pyranone 18.7648 1192.0 15.1 scans 80% 144 m/z 0.20% 0.258% 2520 0.8 300 289282 21985189 20701762 2-3 18: 144 43 101 44 72 73 55 45 115 53 87 74 59 56 126 129 113 58 0.942 20.04 -198.5 79 99 92 99 144 131.1 19.127 -1.277 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.8757 1196.7 7.1 scans 31% 111 m/z (113) 7.7% 0.00553% 2539 1.0 63 7555 470895 444905 1-1 20: 111 98 69 82 107 41 125 96 55 108 67 126 39 112 123 70 83 97 95 79 0.890 18.71 145.9 67 93 77 94 153 2.7 0.000 0.170 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.2701 1213.3 9.7 scans 39% TIC 3.1% 0.00217% 2606 1.0 56 18491 184878 184878 0-0 0.871 19.12 156.2 75 98 84 97 97 8.1 0.000 0.149 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1024 ?? p-Cymene 19.8994 1239.9 10.8 scans 21% 119 m/z (105) 2.4% 0.00816% 2712 1.0 60 24146 694123 639389 3-2 4: 119 91 128 65 0.929 13.76 40.4 67 73 62 79 134 21.0 12.467 6.142 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9779 1243.2 9.6 scans 77% 57 m/z 0.30% 0.102% 2726 0.7 225 192727 8717186 8018911 2-5 19: 57 45 41 75 87 56 89 101 59 72 100 85 73 55 44 58 71 62 132 0.908 19.81 175.7 76 96 88 99 144 5.6 0.000 0.164 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 20.2335 1254.0 >22 scans 27% 83 m/z (93) 14% 0.00662% 2769 0.8 43 4139 562933 481015 3-2 5: 83 73 69 82 86 0.771 22.03 -55.1 69 85 69 96 175 0.0 0.000 -1.801 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4236 1260.8 11.0 scans 28% 57 m/z (107) 5.2% 0.00467% 2802 1.5 45 11204 397074 374722 1-1 4: 57 84 71 85 0.818 20.32 3.1 84 92 75 89 170 4.9 0.000 0.104 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1034 ? Decanal 20.6355 1267.2 8.3 scans 91% TIC 0.41% 0.157% 2837 1.0 313 142178 13425045 12502734 3-2 0.985 20.57 -139.8 72 87 93 99 138 15.7 0.253 0.067 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1025 1281.2 10.3 scans 69% TIC 0.96% 0.0543% 2916 1.0 174 60590 4618090 4292916 1-1 0.845 21.00 195.9 69 90 74 90 155 0.0 0.000 0.101 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N407_R~1-N1120 ?? Caryophyllene oxide 21.1237 1281.8 >11 scans 4.1% 70 m/z (60) 4.6% 0.00250% 2920 0.6 36 12635 0.00579% 212767 212767 492309 0-0 2: 70 102 0.049 32.87 21.5 66 79 6 70 206 0.0 0.000 -11.749 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.8752 1304.4 >9 scans 38% 122 m/z (41) 1.9% 0.0116% 3047 11.8 79 30200 0.0265% 991543 991543 2253227 0-0 7: 122 191 105 77 76 74 109 0.591 20.03 233.7 61 82 75 96 122 33.2 17.765 1.846 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.1391 1312.3 9.0 scans 75% 138 m/z (135) 1.1% 0.0452% 3092 1.2 154 50717 3845441 3592201 1-2 17: 138 95 67 109 43 123 39 65 41 83 79 139 66 88 156 74 63 0.970 17.80 -9.1 61 60 64 71 128 2.6 0.000 4.344 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9980 1338.1 11.1 scans 58% 43 m/z (66 136) 0.47% 0.0786% 3238 0.7 178 122982 6690644 5816262 4-9 16: 43 69 109 86 41 127 110 95 58 67 170 72 108 112 44 59 0.854 22.91 224.5 71 98 86 98 127 25.2 1.996 0.085 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1006 Tridecane 23.8894 1364.9 9.5 scans 46% 57 m/z (108) 2.5% 0.0160% 3389 1.2 87 22808 1365405 1235795 1-1 14: 57 71 43 56 84 55 184 69 113 98 83 42 58 99 0.743 23.86 0.9 82 93 87 93 184 9.8 0.000 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1557 1373.8 >13 scans 38% TIC 0.15% 0.143% 3433 0.6 244 367001 0.208% 12226611 11232955 17685706 3-0 0.928 24.17 -150.0 79 98 90 99 429 58.8 5.835 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1016 ? Nicotine 24.2100 1375.6 18.8 scans 90% TIC 0.16% 0.230% 3443 0.6 376 359461 0.481% 19632428 17434235 40898195 0-7 0.986 25.35 226.4 77 95 95 99 162 0.0 0.000 -1.144 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1032 ? Dodecane 24.6226 1389.4 9.0 scans 29% TIC 2.1% 0.00669% 3513 0.9 74 27077 569541 510162 2-1 0.509 20.36 -10.8 70 86 55 82 170 4.1 0.000 4.265 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.6244 1389.5 8.5 scans 51% 71 m/z 1.7% 0.0145% 3513 1.1 98 33157 1235876 1161806 3-2 15: 71 57 85 43 84 113 127 169 70 150 55 56 72 42 112 0.866 24.54 252.2 76 98 85 95 169 11.9 0.000 0.082 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.9290 1399.6 11.3 scans 39% 83 m/z (71) 2.5% 0.0174% 3565 1.6 81 22844 1482290 1385580 4-1 8: 83 142 58 82 113 128 127 100 0.823 24.70 260.0 61 90 79 91 170 3.2 0.000 0.233 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1004 Nicotine 25.6504 1423.7 >25 scans 94% 133 m/z 0.0083% 10.6% 3687 0.3 1555 7064807 907283519 893039703 0-1 20: 133 161 119 42 92 82 65 78 51 77 39 130 93 132 52 64 106 50 90 105 1.000 25.89 266.7 80 99 99 99 162 449.3 8.346 -0.242 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8275 1429.7 7.5 scans 83% 93 m/z 0.094% 0.255% 3717 0.9 418 618742 21739773 20285680 2-3 20: 93 121 136 43 91 79 77 194 94 81 41 95 123 107 108 67 71 137 122 55 0.958 25.78 274.4 75 95 93 96 194 64.2 2.353 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1040 ?? Nonanoic acid 26.0483 1437.0 8.5 scans 31% 73 m/z (81 145) 4.1% 0.0111% 3755 0.7 77 14233 947342 829819 3-1 9: 73 60 129 87 172 61 143 45 90 0.711 22.70 -38.3 62 73 72 89 158 2.8 0.000 3.352 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1049 1472.3 6.4 scans 27% 221 m/z 3.8% 0.00445% 3933 1.0 60 15387 378440 367604 2-2 14: 221 73 147 267 222 355 443 223 281 356 283 268 207 444 0.738 27.12 297.4 72 94 68 92 355 13.1 4.874 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1923 1475.2 8.0 scans 68% TIC 0.91% 0.0200% 3948 1.2 131 63929 0.0410% 1703023 1632554 3486125 1-0 0.918 27.21 -0.6 96 97 88 95 198 16.2 1.536 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1032 Myosmine 27.9633 1504.2 9.4 scans 80% 118 m/z 0.17% 0.153% 4078 1.3 286 330343 13064906 11367564 2-7 20: 118 146 145 105 78 51 119 104 147 41 63 50 65 91 117 77 42 39 64 89 0.975 27.93 317.5 80 99 96 99 146 124.3 18.893 0.032 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6746 1530.9 8.0 scans 69% 43 m/z (166) 0.30% 0.101% 4199 1.1 238 191919 8648493 7341901 2-11 20: 43 69 41 151 136 107 67 125 93 53 109 83 121 68 39 55 81 108 77 161 0.976 28.67 333.5 77 99 99 99 194 15.7 0.432 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1038 1547.0 7.7 scans 72% 71 m/z (205) 0.32% 0.104% 4272 1.2 254 182493 0.150% 8899557 8378566 12754115 1-0 20: 71 57 43 85 41 70 55 141 56 113 112 99 84 183 69 97 42 127 72 140 0.977 29.10 343.1 72 94 95 95 227 5.4 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5241 1562.8 7.6 scans 82% TIC 0.24% 0.0997% 4343 1.0 277 235825 8479012 8147968 1-0 0.972 29.61 -150.3 79 99 96 99 503 47.1 2.889 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1022 ? Nicotyrine 29.6664 1568.2 12.8 scans 34% 158 m/z (177) 0.029% 1.03% 4367 0.8 628 1962110 87743668 80726063 3-3 20: 158 157 130 159 116 117 89 156 63 90 131 104 78 143 103 51 142 42 80 62 0.972 29.68 355.6 77 99 97 99 158 348.4 30.828 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7862 1572.7 8.1 scans 62% 123 m/z (85) 0.085% 0.143% 4387 1.1 296 688805 12215595 11487084 0-3 15: 123 135 124 107 91 79 109 77 39 193 165 105 53 125 65 0.978 29.77 358.7 73 93 93 98 193 24.7 0.697 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9498 1578.8 8.6 scans 74% 71 m/z 0.19% 0.161% 4415 0.7 311 293646 13710983 12609418 2-2 20: 71 57 85 43 99 113 41 69 55 127 70 84 56 83 155 169 111 126 86 42 0.926 29.94 362.4 76 97 93 98 254 8.2 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.1788 1587.4 7.9 scans 58% 57 m/z 0.64% 0.0421% 4454 0.9 183 91043 3581500 3240155 1-1 20: 57 85 71 43 41 99 113 84 56 55 127 70 69 183 98 155 83 154 86 197 0.892 30.38 -7.5 80 84 89 83 212 0.0 0.000 -0.198 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5141 1600.7 7.9 scans 72% 191 m/z 0.093% 0.127% 4510 0.9 287 627543 10863312 9967549 2-2 18: 191 206 192 163 175 74 91 115 207 107 73 77 128 147 88 135 161 133 0.936 30.50 375.9 80 99 93 99 206 78.3 7.427 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8352 1614.2 8.5 scans 49% 124 m/z (71) 0.88% 0.0326% 4565 1.0 136 66641 2777989 2613209 4-3 8: 124 137 180 125 138 54 59 181 0.978 30.81 384.8 73 95 91 98 180 34.4 6.404 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8890 1616.4 9.5 scans 46% 162 m/z (171) 1.4% 0.0388% 4574 1.1 140 39348 3300522 3021281 3-2 15: 162 147 161 105 148 106 51 165 119 145 133 118 176 204 78 0.922 30.88 0.4 90 94 88 96 204 12.8 0.834 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9321 1618.2 10.2 scans 16% 171 m/z (162) 2.5% 0.00846% 4582 1.1 63 23005 0.00998% 719507 670735 848574 2-0 6: 171 172 130 173 156 179 0.708 30.93 0.2 88 92 77 94 171 37.7 36.183 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2314 1630.8 9.5 scans 78% 111 m/z (71) 0.10% 0.366% 4632 0.7 428 574962 31191136 28689922 2-10 18: 111 109 137 180 67 110 124 152 95 79 77 81 39 112 93 65 91 165 0.957 31.18 395.8 76 97 97 99 180 93.5 4.766 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5147 1642.7 9.4 scans 53% 43 m/z (137) 1.0% 0.0344% 4680 1.3 136 54992 2931383 2749906 1-1 19: 43 71 85 98 111 151 166 127 55 82 84 41 99 83 59 68 126 81 123 0.911 31.52 0.0 84 90 85 90 166 21.2 2.423 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9215 1659.8 8.0 scans 38% 71 m/z 1.4% 0.0174% 4749 1.0 119 41789 1485305 1343671 1-1 19: 71 57 85 43 83 69 99 55 84 70 142 155 127 111 141 87 112 126 56 0.749 31.92 0.1 73 82 62 80 219 2.5 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0726 1666.2 6.6 scans 49% 221 m/z 0.72% 0.0273% 4774 1.0 144 81438 2321857 2162667 2-5 20: 221 73 147 295 207 222 223 341 355 325 296 281 148 297 267 342 279 74 208 343 0.921 32.08 -0.2 97 98 90 98 355 25.4 3.097 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2361 1673.0 8.8 scans 54% 57 m/z 0.62% 0.0450% 4802 1.4 165 94418 0.0574% 3831136 3707319 4880575 1-0 20: 57 71 43 85 41 183 56 113 99 69 182 55 70 42 141 58 105 83 149 184 0.866 32.24 -0.1 87 90 81 88 226 7.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4439 1681.8 12.8 scans 20% TIC 1.3% 0.00946% 4837 0.9 83 43493 805007 743211 1-2 0.401 32.44 0.1 82 90 41 84 226 4.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6783 1691.6 8.4 scans 57% 205 m/z (171) 3.4% 0.0333% 4878 1.0 140 16829 2833184 2759066 0-3 12: 205 119 105 121 162 79 150 187 131 106 177 134 0.888 32.67 0.1 91 95 86 97 220 7.0 0.250 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9362 1702.4 7.8 scans 69% 71 m/z 0.10% 0.113% 4921 0.9 274 585439 9631414 8933587 4-2 15: 71 43 111 56 243 41 155 72 173 159 83 143 98 89 73 0.943 32.93 0.1 94 94 85 99 243 42.5 2.414 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0909 1708.9 7.4 scans 40% 83 m/z (179) 3.7% 0.0170% 4947 0.9 107 15583 1446261 1338940 0-1 19: 83 55 97 57 43 70 69 41 56 84 111 85 71 125 112 126 82 98 68 0.888 33.09 0.2 89 94 95 98 224 6.2 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3087 1718.1 7.8 scans 61% 57 m/z (79) 0.38% 0.0814% 4984 0.7 219 153737 6924073 6338872 1-1 13: 57 71 43 99 56 70 226 113 112 141 72 58 155 0.970 33.37 -2.7 96 99 97 99 226 24.9 1.294 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8932 1728.2 7.4 scans 55% 71 m/z (96) 1.1% 0.0297% 5083 1.1 140 49502 2526701 2365259 1-1 18: 71 57 43 85 70 197 99 41 55 196 127 113 56 141 72 42 167 39 0.910 33.90 -0.1 89 95 92 98 197 25.6 3.364 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 34.2745 1733.7 8.7 scans 33% 59 m/z (173) 1.3% 0.0186% 5147 0.8 103 44965 1585482 1521394 0-1 20: 59 57 55 72 44 210 71 211 58 39 98 141 42 100 182 189 123 183 161 49 0.865 34.27 0.1 66 68 48 89 211 14.3 1.907 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.3955 1735.4 9.0 scans 95% 355 m/z 0.015% 2.56% 5168 0.6 1219 3841730 218010994 208699289 2-1 20: 355 73 221 147 281 356 401 282 222 402 415 327 207 283 74 223 385 416 325 75 0.996 34.39 452.4 81 100 99 100 415 149.9 1.513 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7710 1740.8 11.3 scans 80% 91 m/z 0.063% 0.435% 5231 0.4 445 917249 37057749 35388472 2-2 19: 91 155 199 90 65 184 92 44 89 120 137 63 106 77 39 200 156 51 109 0.964 34.79 451.8 80 99 95 99 199 127.1 8.176 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8979 1742.6 8.0 scans 40% 68 m/z (169) 2.0% 0.0278% 5253 1.5 128 28950 2366743 2171674 4-1 1: 68 0.911 34.90 -0.1 90 91 86 99 224 14.4 1.271 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3471 1749.0 8.8 scans 59% 57 m/z (99) 0.74% 0.101% 5329 0.6 228 78407 8601613 7824372 2-1 20: 57 43 69 55 41 56 95 126 81 70 111 82 83 96 67 84 137 97 109 112 0.937 35.35 451.6 71 96 91 96 196 22.8 0.995 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6878 1753.9 9.0 scans 45% 123 m/z (71) 0.45% 0.0659% 5387 1.1 186 129777 5605157 5033627 2-3 15: 123 193 124 105 151 125 77 210 175 91 79 121 194 131 133 0.877 35.70 451.2 74 97 85 98 224 26.2 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9316 1757.4 9.5 scans 26% 97 m/z (72) 1.7% 0.0459% 5428 1.8 144 33706 3904117 3579182 2-1 17: 97 148 83 184 155 111 105 159 121 199 92 82 96 133 220 109 44 0.557 35.94 451.0 64 92 49 90 238 8.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5083 1765.6 6.9 scans 19% 221 m/z 0.75% 0.0294% 5526 1.1 147 78027 2505175 2361372 1-3 16: 221 73 147 281 295 369 341 223 148 327 282 297 355 342 74 370 0.663 36.58 449.1 73 98 74 96 369 25.8 3.085 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2014 1775.6 8.3 scans 32% 209 m/z 0.46% 0.0407% 5644 0.8 158 125806 3468559 3130545 3-2 18: 209 224 181 165 167 210 105 166 179 194 225 103 182 152 115 193 119 89 0.844 37.20 449.3 76 98 80 97 224 54.0 11.612 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0585 1787.8 8.4 scans 55% 57 m/z 0.48% 0.0505% 5788 1.0 193 121292 4296345 4083697 2-1 20: 57 71 85 43 56 225 41 99 55 224 69 70 127 141 155 83 86 42 98 68 0.887 38.06 448.1 75 96 87 95 225 37.6 3.777 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.5898 1795.4 10.1 scans 81% 429 m/z 0.023% 2.72% 5879 0.6 1189 2468038 231512122 220368775 2-2 20: 429 221 147 355 430 341 207 222 295 267 325 223 327 402 475 75 205 131 358 415 0.851 38.59 447.3 80 99 78 99 429 390.8 10.809 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1016 Octadecane 38.8254 1798.8 11.2 scans 11% 57 m/z (108) 0.61% 0.0624% 5919 1.0 164 95159 5312393 4922120 1-2 18: 57 71 85 43 99 113 70 86 84 98 140 225 72 196 183 154 182 224 0.754 38.91 -1.2 84 94 78 90 254 12.0 0.000 -0.085 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N406_R~1-N1108 ? Solavetivone 38.8626 1799.3 9.0 scans 81% 108 m/z 0.20% 0.596% 5925 0.7 576 282185 50679868 46838437 3-1 20: 108 133 91 79 147 93 109 161 67 121 107 120 137 190 77 68 175 176 105 218 0.944 38.84 447.3 76 96 90 96 272 0.0 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4535 1867.4 8.3 scans 53% 74 m/z (133) 0.51% 0.0644% 6025 1.1 193 114030 5476566 5052072 2-4 12: 74 87 143 75 213 102 59 228 101 60 88 73 0.953 39.45 505.9 71 95 90 98 256 26.5 1.885 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8832 1920.7 19.4 scans 93% 95 m/z 0.022% 7.03% 6098 0.1 1463 2655960 598585227 564535174 0-9 20: 95 68 123 82 81 55 69 43 67 83 41 109 97 96 71 124 111 79 137 110 0.999 39.94 551.6 81 100 100 100 278 96.0 0.430 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9393 1927.6 5.8 scans 52% 58 m/z 0.36% 0.0764% 6107 1.2 271 159400 6496645 6081967 0-2 9: 58 43 59 109 110 95 124 250 125 0.911 39.88 559.3 73 95 87 94 250 30.9 1.303 0.056 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3313 1976.2 7.5 scans 49% 149 m/z (168) 0.11% 0.0792% 6173 1.0 225 498092 6735598 6336347 2-2 7: 149 150 104 76 167 205 50 0.989 40.31 601.3 77 98 97 99 223 45.2 4.038 0.026 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N406_R~1-N1110 ? Phytol 40.4039 1985.2 7.0 scans 26% 81 m/z (215) 1.8% 0.0273% 6186 1.1 134 32132 0.0451% 2322452 2158843 3834737 1-0 20: 81 82 95 124 138 109 79 68 67 96 110 57 55 77 43 120 69 71 41 53 0.883 40.66 -32.0 79 91 86 89 278 16.6 1.518 -0.258 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1254 Phytol 40.8602 2041.8 8.5 scans 27% 82 m/z (97) 1.0% 0.0460% 6263 1.1 151 56421 3911934 3589250 3-1 11: 82 81 95 123 68 278 124 109 137 96 138 0.730 40.87 -0.9 81 90 58 87 278 26.5 3.093 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BQLD_R~1-N1056 ? Homosalate 41.0108 2060.5 8.3 scans 35% 138 m/z 0.68% 0.0401% 6289 0.8 172 85811 3413507 3239083 1-1 16: 138 120 109 69 121 124 83 139 65 92 82 262 251 223 68 263 0.819 41.00 674.7 75 99 88 99 262 24.2 1.982 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2705 2092.7 8.8 scans 84% TIC 0.058% 0.880% 6333 0.6 732 1011409 74900435 69061969 2-2 0.943 41.26 1.7 98 98 91 98 264 54.8 0.560 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4606 2116.2 8.4 scans 59% 205 m/z (184) 0.70% 0.127% 6365 0.7 273 83127 10839401 10128823 2-2 15: 205 217 175 189 177 232 261 203 191 115 192 233 161 135 176 0.940 41.49 -80.4 82 99 95 99 276 17.1 0.395 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0344 2150.0 10.1 scans 31% 93 m/z (87) 0.10% 1.07% 6462 0.9 718 542122 91449601 87036562 2-2 20: 93 105 107 91 81 119 121 79 229 133 77 161 147 109 135 134 159 189 148 136 0.876 42.05 -0.6 96 99 89 98 272 91.9 1.639 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0633 2151.6 11.0 scans 78% 87 m/z (93) 0.014% 3.04% 6467 0.4 1194 4147893 258735320 244441052 2-2 20: 87 143 270 227 43 75 239 185 83 171 199 97 59 101 88 241 157 271 56 213 0.985 42.01 749.6 75 96 96 97 272 17.4 0.000 0.052 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3189 2165.9 9.4 scans 76% 73 m/z 0.069% 0.538% 6510 1.2 528 845337 45783953 41859534 2-5 20: 73 147 221 281 355 429 503 207 341 282 504 222 356 283 430 415 74 295 505 431 0.982 42.37 756.9 72 89 89 97 503 91.7 3.019 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3957 2170.2 9.9 scans 93% TIC 0.074% 1.13% 6523 0.8 818 790897 1.56% 96575116 90927686 132642796 0-2 0.990 42.40 -0.2 99 98 98 98 272 60.6 0.549 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.1968 2215.2 12.0 scans 22% 133 m/z (71) 5.1% 0.0309% 6659 0.7 116 11374 2632984 2355091 3-0 20: 133 95 79 119 106 243 92 255 107 148 256 98 91 189 105 187 227 128 162 223 0.876 42.99 11.6 61 67 59 71 272 8.4 0.519 0.207 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1262 ?? Diterpene 43.6min 43.5569 2235.4 8.3 scans 20% 74 m/z (143) 2.9% 0.0355% 6720 0.8 138 19852 3024864 2640558 2-6 4: 74 87 191 273 0.652 43.55 0.2 68 83 61 78 272 13.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 43.8615 2252.5 8.9 scans 65% 121 m/z (205) 0.45% 0.157% 6771 1.0 288 130150 13361443 12025434 2-4 20: 121 136 93 272 91 57 107 71 85 77 68 79 67 41 105 43 55 161 137 127 0.978 43.15 39.7 69 76 76 79 272 52.0 3.258 0.707 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2948 2277.3 6.6 scans 18% 221 m/z (199) 2.2% 0.0109% 6845 0.9 90 25643 929742 886905 1-1 14: 221 73 295 222 281 207 147 282 355 296 283 208 297 341 0.744 44.32 830.0 74 98 94 99 369 16.5 3.395 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 44.2948 2277.3 6.6 scans 15% 221 m/z 2.2% 0.00791% 6845 0.9 82 25678 672692 641698 1-1 14: 221 73 295 222 281 207 147 282 355 296 283 208 297 341 0.775 40.63 897.2 70 96 73 94 369 16.8 4.217 3.662 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1234 Thunbergol 44.9046 2312.4 9.5 scans 80% 43 m/z (221) 0.22% 0.614% 6948 1.1 560 257890 52210638 49300464 2-0 20: 43 81 95 109 121 67 107 69 97 41 123 79 71 149 189 135 229 147 161 108 0.993 44.90 0.2 97 98 98 99 272 38.7 0.478 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N6_REP1-N1180 UNK Alkene structure 2 45.0020 2318.0 9.5 scans 69% 105 m/z 0.15% 0.689% 6965 0.7 663 381476 1.05% 58588954 57118487 89278805 2-0 20: 105 131 91 119 133 157 159 134 171 143 129 77 93 79 227 147 81 117 128 132 0.876 44.99 857.6 80 100 95 100 270 103.2 2.422 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN N6_REP1-N1178 UNK Alkene structure 45.4878 2346.0 8.9 scans 85% TIC 0.060% 1.08% 7047 0.8 808 967190 1.32% 92200044 87017468 112236212 2-0 0.978 45.47 876.1 80 100 98 99 288 34.1 0.178 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7830 2363.0 8.0 scans 7.7% 73 m/z (91) 0.66% 0.0514% 7097 1.2 175 88547 4374357 4004633 2-3 20: 73 355 221 281 356 357 429 295 283 341 222 282 503 74 223 401 430 267 342 431 0.716 45.78 0.4 93 98 86 97 503 17.4 0.992 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1342 2383.2 10.4 scans 86% TIC 0.047% 1.50% 7157 0.6 830 1226180 127967260 110787728 2-6 0.951 46.13 -0.0 92 92 91 95 292 65.0 0.614 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7612 2419.3 8.0 scans 67% 74 m/z 0.20% 0.124% 7263 1.0 284 279898 10617834 9936467 4-2 20: 74 87 75 143 43 298 55 255 41 57 69 199 83 59 101 129 97 88 299 144 0.947 46.76 924.2 77 96 91 96 298 54.2 3.652 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2417 2446.9 8.0 scans 55% 84 m/z (106) 1.4% 0.0538% 7344 1.3 181 40025 4581749 4245865 1-1 20: 84 81 69 93 67 68 135 79 95 83 121 107 41 137 53 109 55 124 123 91 0.954 47.36 -6.6 60 64 72 67 272 0.0 0.000 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5015 2461.9 7.8 scans 41% 138 m/z 0.90% 0.0263% 7388 1.1 138 64581 2239967 2032739 1-7 13: 138 120 121 57 139 85 111 70 306 56 168 65 92 0.871 47.50 949.1 76 96 83 96 168 18.4 1.787 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3474 2625.7 7.8 scans 32% 74 m/z (39) 3.5% 0.00736% 7870 1.2 67 16752 626564 564996 3-6 7: 74 87 75 283 143 199 101 0.723 50.36 1038.7 63 95 79 92 326 13.1 3.827 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8451 2711.8 7.7 scans 49% 73 m/z (82) 2.6% 0.0116% 8124 1.1 83 21855 987704 890661 3-5 19: 73 147 221 281 355 429 430 149 503 341 148 295 357 401 415 282 504 74 222 0.834 51.86 1080.9 73 98 84 96 503 12.8 2.396 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6197 2871.5 8.9 scans 41% 73 m/z (148) 3.9% 0.00824% 8594 1.1 65 14791 700891 627914 2-7 17: 73 147 221 355 281 295 74 223 430 356 415 431 282 327 267 357 342 0.708 45.81 1395.0 62 94 77 91 503 8.3 0.000 8.808 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1030 ?? Pentacosane 54.6568 2873.6 8.7 scans 23% 71 m/z (73) 9.5% 0.00347% 8600 0.9 43 6161 295153 266643 3-2 3: 71 85 99 0.751 54.79 -7.7 69 79 69 73 352 3.0 0.000 -0.133 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN BLKEND~1-N1018 ?? Contamination 48.95min 57.8966 3060.0 12.1 scans 35% 281 m/z (133) 8.3% 0.00447% 9149 1.2 42 7010 380241 346999 4-4 11: 281 147 73 431 355 430 221 356 223 148 209 0.560 48.95 1509.6 63 95 57 90 429 13.3 0.000 8.948 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP4.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7833 3168.5 13.1 scans 36% TIC 6.3% 0.00395% 9469 1.2 44 9217 336436 299881 2-4 0.623 59.97 -10.6 63 68 52 63 380 0.0 0.000 -0.184 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1362 771.9 >24 scans 49% 77 m/z (55) 0.67% 0.0305% 42 3.3 86 86282 0.0351% 2542466 2542466 2924785 0-0 8: 77 78 75 62 46 79 92 60 0.962 4.37 17.9 97 99 98 99 77 73.0 71.911 -0.235 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.1699 824.9 11.7 scans 49% 57 m/z (72) 2.6% 0.00629% 387 0.5 51 22037 0.0131% 524726 477664 1091586 2-0 7: 57 41 83 39 59 102 45 0.868 6.03 -136.7 73 97 90 98 102 6.9 1.811 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5914 835.9 17.3 scans 63% 207 m/z 0.60% 0.0278% 458 2.6 97 95252 2321888 2231646 1-0 20: 207 208 209 191 133 177 97 193 192 163 147 161 119 115 149 73 82 211 59 105 0.756 6.53 -140.9 79 100 80 99 207 76.7 62.782 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6894 864.4 8.8 scans 72% 41 m/z 2.3% 0.0250% 644 2.1 110 25167 2089654 1729911 2-6 19: 41 69 55 83 39 57 42 98 97 70 80 56 53 43 51 79 54 50 38 0.882 7.71 9.1 99 99 88 98 98 25.5 5.430 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2385 982.9 10.8 scans 54% 281 m/z 0.65% 0.0356% 1415 2.3 118 89182 2971611 2676077 2-3 20: 281 43 282 283 99 71 205 41 133 55 193 191 119 39 73 179 285 142 284 265 0.685 12.22 36.6 90 97 50 98 281 74.2 39.804 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6836 994.5 10.4 scans 85% 81 m/z (121) 0.38% 0.0687% 1490 2.1 164 152181 5728735 5310859 2-2 19: 81 110 53 39 79 41 67 68 77 65 82 51 95 66 50 109 111 54 40 0.978 13.22 30.9 93 96 96 99 110 48.8 8.898 -0.538 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9398 1001.2 7.9 scans 44% 84 m/z (109) 5.6% 0.0102% 1533 1.4 76 10305 857327 793258 1-2 12: 84 56 57 55 41 44 69 82 68 110 95 100 0.879 12.96 -173.6 64 90 86 89 110 3.8 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1016 Limonene 13.9150 1027.6 8.6 scans 51% 68 m/z (73) 1.8% 0.0295% 1699 1.1 123 30602 2460765 2170819 2-2 18: 68 93 124 67 123 94 121 136 53 43 107 91 81 125 80 95 77 82 0.900 13.89 52.3 84 94 92 97 136 22.3 3.284 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1068 ? a-Toluenol 14.2415 1036.5 16.0 scans 50% 108 m/z (97) 3.9% 0.0116% 1754 1.0 64 14748 967944 885928 0-3 16: 108 55 79 107 111 89 77 71 53 41 85 63 39 109 69 80 0.815 14.11 57.5 79 93 75 96 108 28.9 20.461 0.132 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4546 1042.2 10.0 scans 92% TIC 0.092% 0.182% 1790 1.6 283 629869 15169590 13801216 2-4 0.980 14.44 57.4 91 100 99 100 120 92.7 10.713 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1878 1062.1 >11 scans 70% TIC 0.11% 0.184% 1914 0.8 291 492392 15341228 14662504 3-0 0.974 15.17 64.7 89 100 97 100 123 103.0 12.489 0.018 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN 98-86-2 ? Acetophenone 15.2769 1064.5 10.9 scans 52% 105 m/z 0.11% 0.189% 1929 1.1 305 521825 0.276% 15826299 15002432 22998308 0-2 20: 105 77 120 51 106 50 39 43 78 121 74 38 63 76 65 53 95 107 49 75 0.652 15.29 -181.2 79 98 96 99 120 106.3 12.172 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4392 1068.9 9.4 scans 71% 95 m/z (99) 0.21% 0.141% 1957 1.7 251 270968 11805125 10681508 2-3 16: 95 81 124 79 43 53 109 39 82 65 96 66 67 54 63 125 0.902 15.43 67.2 86 99 97 100 124 74.8 8.876 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1002 Undecane 16.6099 1101.0 8.9 scans 56% TIC 3.8% 0.00471% 2155 1.2 64 15093 392928 366738 2-0 0.826 16.59 1.0 94 97 84 96 156 8.8 1.879 0.023 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1016 Nonanal 16.7840 1108.3 8.3 scans 87% 57 m/z (209) 0.40% 0.142% 2185 1.3 269 141981 11847264 10266996 7-5 20: 57 41 56 55 43 70 98 44 82 69 68 95 81 96 67 39 42 71 83 54 0.990 16.82 85.9 80 99 98 99 124 17.6 0.431 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9682 1116.1 9.0 scans 63% 71 m/z (251) 0.79% 0.0462% 2216 1.5 150 73382 3850721 3591816 1-4 15: 71 95 43 58 128 41 85 57 84 110 39 72 70 113 106 0.860 16.97 91.4 78 97 95 99 128 36.2 5.774 0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.1353 1123.2 >9 scans 30% TIC 4.1% 0.00167% 2244 8.7 43 13923 139459 130789 0-2 0.724 17.05 97.2 73 97 83 96 122 16.0 14.132 0.083 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0845 1163.3 10.0 scans 67% 73 m/z 0.90% 0.0304% 2406 1.7 124 64254 2538377 2407078 3-3 20: 73 267 357 268 339 356 269 75 223 192 162 359 237 108 179 281 252 250 59 325 0.875 18.13 -168.4 79 99 83 98 355 56.7 20.727 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN M4942-N1002 ? Pyranone 18.5981 1185.0 14.6 scans 76% 144 m/z 0.27% 0.180% 2492 0.8 252 207799 15037482 14027213 2-3 19: 144 43 101 44 72 55 45 73 42 116 58 71 88 74 145 56 54 123 87 0.930 20.04 -205.5 79 99 91 98 144 113.3 20.182 -1.444 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7043 1189.4 7.9 scans 37% 69 m/z (124) 7.3% 0.00660% 2511 1.0 64 7938 550280 508603 0-1 17: 69 98 82 111 126 55 107 125 41 70 112 67 108 91 79 93 95 0.885 18.71 138.6 68 93 78 94 153 3.1 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8336 1194.9 8.8 scans 73% 70 m/z 1.4% 0.0426% 2532 1.1 156 40627 3550350 3168240 2-3 20: 70 55 41 83 43 69 57 39 96 84 56 81 67 42 98 72 93 53 54 68 0.901 18.83 142.2 74 95 95 100 122 11.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1253 1207.2 8.6 scans 39% 82 m/z 1.7% 0.00963% 2582 1.3 75 33875 802698 724194 1-7 5: 82 81 39 54 97 0.711 19.12 150.1 73 100 84 99 97 12.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.2587 1212.9 9.9 scans 22% 119 m/z (115) 7.0% 0.00278% 2604 0.9 36 8261 232420 211516 4-1 3: 119 120 134 0.859 13.76 13.4 76 82 66 81 134 14.3 15.857 5.502 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8490 1237.8 9.9 scans 80% TIC 0.38% 0.0831% 2704 0.5 193 149786 6926293 6156286 2-4 0.921 19.81 170.3 77 98 93 99 144 0.0 0.000 0.035 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 11.1 scans 34% 85 m/z (91) 5.6% 0.00570% 2783 0.9 48 10329 475639 460533 1-1 11: 85 57 71 43 70 56 98 41 42 83 97 0.877 20.32 -0.2 84 93 81 90 170 6.0 1.533 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1034 ? Decanal 20.5279 1263.9 8.2 scans 83% TIC 0.54% 0.114% 2819 0.9 261 107176 9563764 8625218 4-2 0.920 20.57 -143.1 77 99 98 99 138 14.0 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9942 1277.9 9.2 scans 57% 137 m/z 0.91% 0.0419% 2898 1.0 153 63447 3492076 3190755 2-1 20: 137 152 109 123 67 91 77 79 95 93 119 41 107 39 53 153 65 55 138 92 0.694 21.00 192.6 69 90 59 89 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1006 ? Arosol 21.1153 1281.6 11.2 scans 48% TIC 0.74% 0.0172% 2918 1.0 111 77841 1438518 1438518 0-0 0.762 20.98 196.6 77 98 93 99 152 2.0 0.000 0.132 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.8213 1302.8 10.4 scans 16% 119 m/z (41) 7.5% 0.00482% 3038 1.6 39 7662 402332 251772 4-3 1: 119 0.435 20.03 232.1 63 89 79 94 122 21.8 31.391 1.792 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.8626 1304.0 9.8 scans 22% 281 m/z (325) 2.8% 0.00777% 3045 1.4 58 20083 648189 561731 4-3 9: 281 282 283 249 191 265 251 207 284 0.464 12.25 150.9 67 94 46 96 281 35.2 37.263 9.612 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1024 ?? Hexadecane 22.1873 1313.7 8.4 scans 18% 71 m/z (104) 9.0% 0.00243% 3100 0.9 35 6388 203166 174291 1-2 10: 71 113 57 127 85 43 115 99 155 143 0.709 33.32 46.7 61 82 68 79 226 0.0 0.000 -11.132 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9323 1336.1 11.6 scans 59% 43 m/z (99) 0.47% 0.0736% 3226 0.7 174 123155 6137661 5791240 2-1 15: 43 69 109 86 41 110 127 128 39 58 87 53 111 100 59 0.872 22.91 222.5 71 95 80 93 127 24.9 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1006 Tridecane 23.8426 1363.4 8.5 scans 42% 57 m/z (81) 2.6% 0.0135% 3381 1.0 82 22001 1126847 975045 3-1 15: 57 71 43 85 55 69 115 56 99 70 84 184 113 83 42 0.725 23.86 -0.6 86 95 87 93 184 9.9 1.451 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1002 Contamination 24.17min 24.1100 1372.3 9.5 scans 70% TIC 0.37% 0.0701% 3426 0.8 207 154000 5847224 5297513 2-1 0.940 24.17 -151.5 80 99 94 99 429 63.2 9.274 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 24.2021 1375.4 >18 scans 80% TIC 0.51% 0.107% 3441 1.2 204 112296 0.167% 8964263 8455418 13915643 0-2 0.949 22.70 -99.9 75 95 92 97 158 15.0 0.540 1.506 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1032 ? Dodecane 24.5840 1388.1 8.7 scans 47% 71 m/z 1.8% 0.0140% 3506 1.0 93 31379 1168866 1067777 4-1 11: 71 57 85 43 84 113 70 155 127 56 86 0.817 20.36 -12.1 72 79 75 82 170 4.0 0.000 4.226 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5840 1388.1 8.7 scans 54% 71 m/z (83) 1.8% 0.0184% 3506 1.0 100 31730 1535657 1402846 4-1 11: 71 57 85 43 84 113 70 155 127 56 86 0.903 24.54 250.8 73 100 94 99 169 11.7 1.383 0.042 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2700 1411.0 8.0 scans 30% 43 m/z 1.1% 0.00690% 3622 1.0 67 48737 575516 515803 9-0 9: 43 103 145 115 116 113 101 155 61 0.702 25.24 -148.9 63 93 84 93 145 24.7 13.367 0.028 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1004 Nicotine 25.6089 1422.4 >23 scans 95% TIC 0.0080% 10.6% 3680 0.1 1575 7193572 886213108 857783939 0-2 0.999 25.89 265.4 80 99 99 99 162 458.3 8.466 -0.283 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.7919 1428.5 7.6 scans 83% 93 m/z 0.10% 0.240% 3711 0.9 399 565666 20045732 18386653 2-3 20: 93 121 43 136 91 79 77 81 94 194 41 123 107 95 108 137 105 67 71 92 0.970 25.78 273.2 75 95 94 96 194 62.0 2.412 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0363 1436.6 8.2 scans 6.2% 145 m/z (60) 9.9% 0.00147% 3751 1.2 29 5852 122683 107588 2-1 2: 145 146 0.572 27.08 -186.2 62 94 65 92 160 12.6 18.524 -1.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0870 1471.7 6.6 scans 31% 221 m/z 3.7% 0.00473% 3930 1.1 61 15617 394724 385875 1-1 16: 221 73 147 222 355 281 267 223 443 282 283 268 207 149 357 444 0.776 27.12 296.8 72 94 71 92 355 13.0 4.594 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 7.8 scans 68% 57 m/z (92) 0.97% 0.0277% 3944 1.1 129 59347 0.0442% 2308318 2249611 3683062 1-0 18: 57 71 43 85 41 55 56 99 198 70 69 98 112 127 126 113 72 86 0.967 27.21 -1.4 94 98 96 98 198 16.7 1.687 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9300 1502.9 9.4 scans 88% TIC 0.10% 0.230% 4073 1.0 361 532649 0.257% 19167331 17900802 21415091 0-7 0.987 27.93 316.2 79 99 97 99 146 158.0 19.115 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6573 1530.2 7.8 scans 63% 43 m/z (150) 0.38% 0.0819% 4196 1.0 212 152324 6830234 5728143 10-11 20: 43 69 41 151 136 107 125 67 93 53 109 39 83 68 161 81 79 108 121 77 0.931 28.67 332.8 76 99 95 99 194 14.2 0.446 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0936 1546.6 7.6 scans 72% 71 m/z (180) 0.31% 0.108% 4270 1.2 256 183349 0.156% 9074336 8324274 12999044 2-0 20: 71 57 43 85 41 70 55 141 113 56 112 99 84 183 69 97 42 72 127 155 0.976 29.10 342.7 72 95 94 95 227 5.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5080 1562.2 7.3 scans 91% TIC 0.097% 0.307% 4340 1.1 462 594201 25625980 23987197 1-1 0.985 29.61 -150.9 79 99 97 99 503 78.0 2.854 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6414 1567.2 12.0 scans 38% 158 m/z (177) 0.030% 0.963% 4363 0.9 614 1895850 80314172 72990247 3-2 20: 158 157 130 116 117 89 156 90 63 104 143 78 142 103 62 76 50 102 64 128 0.969 29.68 354.6 77 99 97 99 158 342.2 31.094 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1044 ?? b-Ionone 29.6709 1568.4 7.9 scans 10% 177 m/z (43) 0.046% 0.210% 4368 0.9 351 1243396 17521854 16095122 3-2 7: 177 178 149 133 192 162 147 0.361 29.68 355.9 65 97 25 89 192 61.9 3.097 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7719 1572.2 7.9 scans 64% 123 m/z (85) 0.085% 0.142% 4385 1.0 294 681986 11843787 11296883 0-2 15: 123 135 124 91 107 79 109 77 193 105 53 165 125 65 147 0.976 29.77 358.2 75 97 95 99 193 24.9 0.716 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.1650 1586.9 7.8 scans 64% 57 m/z (181) 0.64% 0.0590% 4452 1.1 192 90150 4917169 4776874 1-0 20: 57 71 85 43 99 41 55 127 84 56 70 183 69 155 98 141 83 169 97 112 0.942 30.38 -8.0 81 84 94 85 212 2.3 0.000 -0.212 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5062 1600.3 8.4 scans 71% TIC 0.11% 0.0911% 4509 1.1 254 498171 7598367 6593400 1-6 0.935 30.50 375.5 80 99 91 99 206 70.7 7.778 0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8244 1613.7 8.5 scans 30% 124 m/z (71) 1.9% 0.0147% 4563 1.0 89 29119 1227119 1103250 1-5 5: 124 137 180 138 168 0.931 30.81 384.3 67 90 76 93 180 24.1 7.309 0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8799 1616.0 9.4 scans 39% 162 m/z (172) 1.1% 0.0341% 4572 1.3 131 48785 2846693 2650392 1-1 19: 162 147 161 51 131 195 119 77 103 163 79 71 134 42 118 145 80 132 204 0.738 30.88 0.0 89 92 66 96 204 12.3 0.876 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9136 1617.4 9.6 scans 14% 172 m/z (162) 2.3% 0.00971% 4578 1.4 65 24425 809468 670204 4-9 5: 172 171 173 130 156 0.706 30.93 -0.6 89 94 80 96 171 38.8 35.861 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2194 1630.3 9.7 scans 68% 111 m/z 0.10% 0.306% 4630 0.6 392 553801 25516148 22988946 3-11 18: 111 109 137 180 67 110 124 95 152 79 81 77 39 73 112 91 165 93 0.860 31.18 395.3 75 96 83 97 180 92.9 5.628 0.041 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2194 1630.3 9.7 scans 79% 111 m/z (57) 0.10% 0.376% 4630 0.6 421 559246 31335761 28232165 3-11 18: 111 109 137 180 67 110 124 95 152 79 81 77 39 73 112 91 165 93 0.965 31.20 394.9 74 98 94 96 180 92.6 4.832 0.014 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5098 1642.5 9.2 scans 66% 43 m/z (149) 0.51% 0.0664% 4679 1.1 185 112752 5537164 5220170 1-1 20: 43 98 111 166 85 71 57 55 127 82 41 151 99 83 68 126 69 59 67 84 0.950 31.52 -0.2 95 98 96 98 166 36.0 3.782 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9130 1659.4 8.7 scans 47% TIC 1.2% 0.0194% 4748 1.0 128 46204 1619754 1486269 1-1 0.779 31.92 -0.3 77 86 65 83 219 3.9 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0736 1666.2 6.8 scans 36% 221 m/z (71) 1.5% 0.0144% 4774 0.9 98 37200 1205253 1088358 3-5 17: 221 73 147 222 267 355 223 325 356 295 281 207 342 297 326 74 208 0.836 32.08 -0.2 95 99 90 98 355 17.6 3.204 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2312 1672.8 8.6 scans 61% 57 m/z (157) 0.64% 0.0698% 4802 1.6 174 89924 5824034 5179339 2-1 19: 57 71 43 85 41 183 99 56 55 113 182 70 42 69 141 226 83 111 211 0.942 32.24 -0.3 89 93 93 94 226 9.3 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4313 1681.2 14.2 scans 24% TIC 1.4% 0.0112% 4835 1.2 88 39327 936132 882249 0-1 0.470 32.44 -0.5 87 96 54 90 226 3.7 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6710 1691.3 8.4 scans 41% 205 m/z (123) 4.6% 0.0203% 4876 1.1 106 12433 1695981 1545910 2-4 7: 205 187 147 162 105 146 149 0.860 32.67 -0.2 91 95 80 94 220 7.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9301 1702.2 7.7 scans 67% 71 m/z 0.11% 0.100% 4920 0.9 259 512386 8381492 7855504 2-2 18: 71 43 159 111 56 41 243 155 69 72 173 83 143 98 89 73 156 44 0.935 32.93 -0.1 94 94 85 99 243 40.8 2.491 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0836 1708.6 7.7 scans 28% 83 m/z 4.2% 0.00685% 4946 0.9 84 13732 571279 539324 1-1 19: 83 85 57 97 55 111 125 69 56 70 43 41 152 84 179 155 98 82 126 0.710 33.09 -0.1 82 93 76 90 224 2.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3068 1718.0 7.4 scans 66% 57 m/z (109) 0.47% 0.0587% 4984 0.8 193 122566 4898044 4615165 3-1 16: 57 71 43 85 41 56 99 70 226 113 69 84 42 98 97 112 0.977 33.37 -2.8 95 98 96 98 226 22.5 1.360 -0.066 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8930 1728.2 7.7 scans 46% 71 m/z 1.0% 0.0231% 5083 1.0 132 52839 1926638 1840519 1-1 19: 71 57 43 85 70 197 41 55 99 140 56 113 196 69 168 72 127 42 170 0.787 33.90 -0.1 91 97 84 95 197 26.9 4.146 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4012 1735.5 9.9 scans 96% 73 m/z 0.013% 3.24% 5169 0.5 1293 4270297 270490462 255765902 2-2 20: 73 221 147 356 281 357 282 415 267 207 74 149 341 75 417 191 133 59 329 251 0.997 34.39 452.5 80 99 99 100 415 162.3 1.577 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7690 1740.8 11.6 scans 79% 91 m/z 0.064% 0.454% 5231 0.4 443 897511 37859253 34623926 3-2 20: 91 155 199 90 65 184 92 89 120 44 63 137 106 77 39 200 156 51 134 185 0.969 34.79 451.8 80 99 95 99 199 127.6 8.315 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9024 1742.7 8.1 scans 32% 68 m/z (71) 2.5% 0.0218% 5253 1.4 110 23140 1817827 1705503 1-3 2: 68 224 0.886 34.90 -0.0 92 94 91 98 224 12.9 1.377 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1216 ?? Hydrocarbon 34.3min RI1734 35.2749 1748.0 >7 scans 30% 85 m/z (160) 2.2% 0.0113% 5317 0.0 89 26026 0.0758% 942865 942865 6316202 0-0 13: 85 57 71 43 127 126 211 183 97 70 84 169 98 0.931 34.27 14.4 66 69 79 73 211 13.3 2.201 1.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1042 ?? Phytol 35.3458 1749.0 8.7 scans 66% 57 m/z (45 195) 0.57% 0.0935% 5329 0.6 219 100465 7791745 7315053 1-0 20: 57 69 70 55 41 56 126 95 81 111 82 83 97 96 67 137 109 112 98 42 0.869 35.35 451.6 66 92 92 97 196 14.2 0.424 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6888 1753.9 8.6 scans 49% 123 m/z (71) 0.41% 0.0703% 5387 1.1 196 140117 5861232 5352179 2-4 19: 123 193 209 124 175 105 125 181 165 77 109 167 91 195 79 95 210 121 194 0.899 35.70 451.2 73 96 87 98 224 26.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9314 1757.4 9.4 scans 36% 91 m/z (137) 0.84% 0.0563% 5428 1.4 162 68444 4699502 4183739 3-2 12: 91 155 148 65 199 92 105 184 82 133 119 108 0.849 35.94 451.0 68 92 76 93 238 5.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1067 1759.9 8.8 scans 60% 71 m/z 0.21% 0.138% 5458 1.2 302 274202 11501433 10644330 1-2 20: 71 85 57 43 99 113 127 69 155 55 84 41 70 83 141 56 111 169 112 126 0.857 29.94 543.5 70 92 84 96 254 0.0 0.000 6.166 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5111 1765.7 6.8 scans 19% 221 m/z 0.96% 0.0223% 5527 1.0 128 59929 1863812 1729943 2-3 15: 221 73 147 295 281 222 369 341 223 296 148 282 297 327 74 0.720 36.58 449.2 75 98 75 96 369 22.6 3.127 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1994 1775.5 8.3 scans 36% 209 m/z 0.43% 0.0436% 5643 1.0 162 133182 3633700 3374570 3-2 17: 209 224 181 167 178 105 210 166 179 225 165 103 194 77 152 115 182 0.854 37.20 449.2 76 97 79 97 224 56.2 11.991 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1016 Octadecane 37.2986 1777.0 9.0 scans 61% 71 m/z (91) 0.55% 0.0909% 5660 1.0 209 105059 0.127% 7574773 6837222 10582555 0-5 20: 71 85 57 43 99 113 127 155 41 169 55 69 84 70 111 141 126 83 86 100 0.962 38.91 -23.0 81 87 93 86 254 4.0 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0554 1787.8 8.4 scans 58% 57 m/z (195) 0.68% 0.0555% 5788 1.0 176 84457 4631250 4241596 2-2 19: 57 71 85 43 56 225 41 55 224 127 69 70 141 83 155 226 169 97 197 0.960 38.06 448.1 75 99 98 98 225 32.3 3.380 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.5867 1795.4 9.5 scans 95% 73 m/z 0.016% 2.91% 5878 0.6 1242 3616726 243114813 231517409 2-2 20: 73 147 221 281 341 431 207 356 357 342 295 148 267 325 432 283 402 149 208 403 0.996 38.59 447.3 80 99 98 99 429 374.1 9.080 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8341 1914.6 >9 scans 10% 278 m/z 0.13% 0.355% 6090 0.0 434 435041 0.537% 29660572 28467350 44746708 1-0 11: 278 279 127 280 221 106 177 182 181 155 38 0.242 40.66 534.1 69 93 25 90 278 81.9 3.563 -0.828 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8571 1917.4 15.0 scans 94% 82 m/z 0.023% 5.39% 6093 0.2 1388 2419630 449725215 420539043 1-11 20: 82 123 69 81 57 55 67 41 97 71 96 109 111 79 56 137 70 94 53 125 0.999 39.94 548.3 81 100 100 100 278 87.0 0.393 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9226 1925.5 6.4 scans 56% 58 m/z 0.45% 0.0726% 6104 1.2 251 126387 6057181 5429528 1-2 12: 58 43 71 59 109 55 95 110 124 250 81 123 0.920 39.88 557.2 75 97 93 96 250 27.9 1.231 0.040 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3270 1975.7 7.9 scans 44% 149 m/z 0.12% 0.0681% 6173 0.9 206 468525 5678142 5379312 2-3 8: 149 150 223 104 76 167 205 50 0.880 40.31 600.8 77 98 83 97 223 45.6 4.881 0.022 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N406_R~1-N1110 ?? Phytol 40.3996 1984.7 7.9 scans 24% 81 m/z (355) 1.8% 0.0291% 6185 1.4 126 31668 2426170 2186503 3-1 13: 81 82 95 123 109 124 79 67 96 278 110 179 137 0.766 40.66 -32.5 69 82 65 86 278 17.7 1.984 -0.262 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5997 2009.5 7.3 scans 40% 221 m/z 0.47% 0.0553% 6219 0.9 192 122217 4613737 4184463 5-4 19: 221 73 147 295 281 207 222 369 223 282 370 297 355 74 283 341 208 401 356 0.918 40.63 629.4 72 93 88 98 369 34.2 3.180 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1254 ? Phytol 40.8654 2042.4 10.4 scans 16% 95 m/z (83 119) 2.1% 0.0330% 6264 0.7 108 27614 2755720 2471142 2-1 13: 95 81 278 109 124 79 279 137 80 179 207 114 263 0.722 40.87 -0.3 70 80 50 79 278 20.0 3.399 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BQLD_R~1-N1056 ? Homosalate 41.0059 2059.8 8.3 scans 31% 138 m/z 0.70% 0.0382% 6288 1.1 161 82838 3186135 3065048 1-1 13: 138 120 109 121 69 124 139 262 65 92 266 223 63 0.757 41.00 674.0 73 99 81 98 262 24.2 2.270 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2585 2091.2 8.3 scans 50% 79 m/z (155) 0.65% 0.103% 6330 0.8 238 88022 8609889 7861218 2-2 18: 79 67 93 95 80 108 91 55 121 41 94 81 107 135 59 87 122 78 0.958 41.26 0.2 94 98 95 97 264 16.4 0.477 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4421 2113.9 8.2 scans 51% 205 m/z (85) 0.95% 0.0829% 6361 1.1 217 60708 6913584 6222301 3-3 15: 205 217 175 189 220 177 232 204 261 191 233 206 203 221 192 0.960 41.49 -82.7 81 99 94 99 276 14.9 0.470 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1018 ? Nonadecane 41.4775 2118.3 15.1 scans 15% 85 m/z (205 95) 3.0% 0.0211% 6368 0.3 88 19110 1762284 1744025 2-0 19: 85 99 113 140 84 182 183 86 155 138 70 186 169 114 225 253 256 236 237 0.807 41.48 -0.7 70 88 77 84 268 4.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6576 2128.8 9.1 scans 28% 69 m/z (71 105) 0.76% 0.0498% 6398 0.8 156 76388 0.0561% 4155549 3747749 4674656 0-5 14: 69 93 41 81 133 120 67 94 68 111 126 53 161 121 0.918 41.75 731.3 65 95 88 94 272 4.5 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0224 2149.3 8.1 scans 35% 74 m/z (93) 0.042% 0.684% 6460 0.9 626 1380739 57014738 53508174 2-4 15: 74 87 143 75 57 239 83 59 97 101 185 88 199 241 56 0.948 42.01 747.3 75 98 93 97 272 9.7 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0448 2150.5 10.0 scans 71% 93 m/z (74) 0.074% 1.74% 6464 0.7 908 781462 145661667 134480132 3-3 20: 93 105 107 91 119 81 121 79 229 133 77 161 95 67 147 272 135 120 134 149 0.932 42.05 -0.1 97 99 96 100 272 109.5 1.454 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3347 2166.8 >6 scans 68% TIC 0.082% 0.296% 6513 0.3 500 701256 1.53% 24728731 23659875 127490620 2-0 0.985 42.37 757.8 73 89 91 98 503 84.4 2.855 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4008 2170.5 9.5 scans 93% TIC 0.053% 1.60% 6524 0.6 946 1082102 1.89% 134124950 123432963 157488413 0-2 0.991 42.40 0.1 99 98 98 98 272 73.7 0.606 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.8595 2252.4 9.0 scans 63% 121 m/z (271) 0.31% 0.190% 6771 1.0 313 182433 15848381 14567665 4-3 17: 121 136 93 272 91 107 79 68 77 67 105 161 137 119 122 85 94 0.883 43.15 39.6 73 81 78 81 272 63.2 4.081 0.706 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2840 2276.7 7.2 scans 38% 221 m/z 0.61% 0.0413% 6843 1.1 172 94593 3442607 3310821 2-1 19: 221 73 147 295 281 207 222 369 296 223 297 148 355 283 267 370 282 341 401 0.840 44.32 829.4 72 92 90 98 369 32.9 3.663 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1234 Thunbergol 44.9174 2313.2 9.7 scans 82% 43 m/z (290) 0.15% 1.01% 6950 0.8 698 377584 84845025 77913651 2-1 20: 43 81 109 95 67 121 107 93 69 97 123 55 79 41 71 135 149 189 229 147 0.992 44.90 1.0 97 98 98 99 272 46.7 0.448 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N6_REP1-N1180 UNK Alkene structure 2 45.0160 2318.8 10.1 scans 75% 145 m/z 0.10% 1.17% 6967 0.6 833 558157 1.84% 97493065 94321627 153322053 2-0 20: 145 119 159 171 134 270 143 129 77 227 79 81 117 147 115 128 132 107 41 185 0.926 44.99 858.4 80 99 97 100 270 129.0 2.400 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5119 2347.4 9.7 scans 84% 81 m/z 0.043% 1.73% 7051 0.6 956 1319855 2.15% 144804855 132200317 179153486 3-0 20: 81 43 71 79 107 95 93 41 55 109 67 53 135 149 97 133 94 123 137 68 0.976 45.47 877.5 79 99 99 99 288 41.8 0.192 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7822 2362.9 7.8 scans 4.5% 73 m/z 0.84% 0.0304% 7097 1.1 139 68567 2536453 2328986 2-4 20: 73 355 221 281 356 207 283 357 222 265 401 341 267 74 385 430 358 327 282 325 0.883 45.78 0.3 91 93 71 92 503 15.2 1.196 0.006 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1057 2381.6 9.8 scans 25% 79 m/z (159) 0.25% 0.220% 7152 0.7 310 228698 18345921 16882385 1-3 18: 79 93 95 67 108 80 55 94 109 135 59 149 136 87 66 74 292 82 0.832 46.13 -1.6 82 89 76 87 292 24.3 0.612 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7634 2419.4 7.9 scans 22% 74 m/z (135) 1.1% 0.0180% 7263 1.1 104 49985 1501510 1400174 3-2 10: 74 87 298 75 255 88 101 299 59 256 0.903 46.76 924.3 63 89 68 89 298 23.5 5.152 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2409 2446.9 8.9 scans 61% 84 m/z (141) 0.96% 0.0935% 7344 1.0 223 60098 7792034 7306734 2-1 18: 84 81 69 136 93 67 68 135 83 121 107 41 137 79 123 109 53 77 0.967 47.36 -6.6 62 65 76 69 272 2.2 0.000 -0.115 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5060 2462.2 7.6 scans 33% 138 m/z (73) 1.5% 0.0211% 7389 1.0 113 36729 1763467 1580881 1-8 13: 138 120 121 57 139 70 56 92 168 111 98 65 306 0.862 47.50 949.4 74 99 92 98 168 12.7 1.255 0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8361 2711.3 8.2 scans 41% 73 m/z 2.2% 0.0116% 8123 1.4 84 25740 973603 868974 3-5 19: 73 147 355 221 429 281 282 208 356 503 207 222 431 341 279 296 295 148 369 0.741 51.86 1080.4 73 97 73 95 503 13.5 2.586 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1030 ? Pentacosane 54.6649 2874.1 8.7 scans 31% 85 m/z (73) 6.2% 0.00582% 8601 1.3 54 9264 485459 428648 3-5 6: 85 43 83 113 99 56 0.708 54.79 -7.2 70 85 67 79 352 4.1 0.000 -0.125 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8917 3059.7 12.2 scans 42% 429 m/z (503) 5.5% 0.00773% 9148 1.2 53 10487 644486 573563 4-2 17: 429 222 355 73 430 356 221 267 341 357 223 148 369 296 283 415 131 0.634 45.81 1583.2 63 93 68 91 503 4.2 0.000 12.080 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN HCMIX_~1-N1034 ? Heptacosane 59.7908 3169.0 12.8 scans 33% 57 m/z 5.3% 0.00541% 9470 1.0 46 10904 451469 406774 4-4 16: 57 71 83 43 99 69 183 113 55 41 112 72 85 82 58 42 0.511 59.97 -10.1 74 81 46 74 380 4.5 0.000 -0.176 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP5.FIN BLKEND~1-N1018 ?? Contamination 48.95min 61.6621 3277.9 12.9 scans 31% 147 m/z (356) 9.4% 0.00429% 9787 1.2 39 6157 357807 318293 1-2 9: 147 357 295 282 429 223 369 431 222 0.570 48.95 1727.5 64 97 62 92 429 12.5 10.426 12.713 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1645 772.7 >24 scans 52% 45 m/z 0.74% 0.0188% 47 0.8 83 70716 1290784 1290784 0-0 6: 45 76 62 63 75 92 0.942 4.37 18.7 98 99 91 98 77 73.2 78.432 -0.206 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5908 835.8 19.7 scans 66% 207 m/z 0.64% 0.0320% 458 3.0 100 81370 2193257 2042616 2-1 20: 207 208 191 209 115 133 97 177 193 147 192 119 210 163 176 75 117 178 134 103 0.751 6.53 -141.0 79 100 81 99 207 78.5 61.807 0.063 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6864 864.4 8.8 scans 84% 55 m/z 1.2% 0.0527% 644 2.2 161 41671 3606949 3320828 2-3 20: 55 69 41 83 39 42 57 98 70 97 53 56 80 79 54 40 68 51 38 81 0.954 7.71 9.1 99 99 95 99 98 35.2 4.805 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKSTART-N1002 Contamination 12.22min 13.1128 1005.9 11.6 scans 46% 281 m/z 0.67% 0.0308% 1562 2.5 110 77919 2111123 2018835 1-1 20: 281 43 283 282 71 99 207 193 249 41 55 191 163 266 133 73 69 205 177 284 0.560 12.22 59.6 86 99 75 99 281 76.8 49.166 0.893 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.5047 1016.5 10.2 scans 85% TIC 0.41% 0.0587% 1629 2.0 162 125754 4017130 3689793 5-2 0.953 13.22 52.9 88 96 92 99 110 48.6 8.936 0.283 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1016 ?? Limonene 14.5856 1045.8 8.3 scans 72% 68 m/z 1.5% 0.0339% 1812 1.2 143 34027 0.0412% 2322264 2058607 2817374 3-2 20: 68 93 67 124 136 123 79 94 92 121 53 107 43 91 39 77 81 95 41 69 0.900 13.89 70.5 69 76 78 97 136 26.5 3.441 0.694 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1068 ? a-Toluenol 14.9038 1054.4 >19 scans 22% 108 m/z (111) 7.2% 0.00774% 1866 0.8 49 7275 529790 520252 0-1 10: 108 79 90 107 77 95 110 53 109 65 0.798 14.11 75.4 74 94 81 97 108 22.1 19.975 0.795 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 15.0691 1058.9 9.7 scans 89% 91 m/z 0.10% 0.177% 1894 1.6 286 521240 12164128 10787191 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 38 66 74 61 52 41 0.977 14.44 74.1 87 100 99 100 120 93.4 10.669 0.627 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.5656 1072.3 8.5 scans 52% 55 m/z (95) 6.4% 0.00825% 1978 1.6 67 8074 564766 502492 2-1 17: 55 70 83 41 69 57 39 98 97 84 68 67 93 56 81 79 77 0.895 18.83 19.6 76 81 77 83 122 0.0 0.000 -3.264 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.7309 1076.8 >13 scans 63% TIC 0.15% 0.188% 2006 1.1 275 346454 0.333% 12918597 12376128 22771494 2-0 0.897 15.17 79.4 85 100 98 100 123 94.4 11.769 0.561 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN M4942-N1006 ? 2-Acetylpyrrole 15.8118 1079.0 20.9 scans 45% 94 m/z 0.21% 0.183% 2020 0.5 229 243419 12574262 11764828 0-2 20: 94 109 120 66 39 95 40 110 38 78 53 67 49 65 52 63 91 37 76 80 0.928 16.11 -191.2 78 99 91 99 109 125.6 30.022 -0.297 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.9428 1082.5 9.0 scans 56% 95 m/z 0.32% 0.0720% 2042 1.6 202 159547 4926647 4573089 1-3 18: 95 81 124 79 91 119 53 120 109 39 65 82 96 51 66 67 63 125 0.798 15.43 80.8 71 86 76 95 124 62.9 9.737 0.510 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1002 Undecane 17.0154 1118.1 8.7 scans 40% 57 m/z 5.9% 0.00314% 2224 0.9 49 8834 214862 203449 1-0 12: 57 43 71 156 41 56 98 99 69 55 39 97 0.751 16.59 18.1 90 94 71 90 156 7.6 0.000 0.428 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1725 1124.7 8.4 scans 84% 57 m/z (207) 0.44% 0.142% 2251 1.3 271 118506 9745850 8689003 4-6 20: 57 41 56 55 43 70 98 44 69 82 68 95 81 96 67 39 42 71 45 54 0.990 16.82 -166.7 77 99 98 99 124 16.8 0.384 0.357 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.3661 1132.9 9.5 scans 55% 71 m/z (126) 1.0% 0.0421% 2283 1.5 142 49315 2879063 2585149 1-3 20: 71 95 43 110 58 128 41 55 85 84 127 57 39 72 53 69 42 70 113 252 0.725 16.97 108.2 73 95 91 99 128 32.9 5.364 0.398 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1074 ?? Benzeneethanol 17.5532 1140.8 11.5 scans 30% 91 m/z (126 130) 5.6% 0.00409% 2315 0.5 38 9370 279929 269674 1-1 6: 91 92 122 65 129 78 0.822 17.05 114.8 69 97 82 95 122 13.9 13.209 0.501 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3673 1175.2 10.2 scans 54% 73 m/z 0.88% 0.0304% 2453 1.5 124 59519 2082937 1993860 1-3 20: 73 355 267 269 192 74 251 253 268 179 138 205 357 323 358 154 249 252 237 45 0.869 18.13 -156.5 79 99 84 98 355 52.2 17.740 0.236 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1036 ? Contamination 18.09min 18.3673 1175.2 10.2 scans 55% 73 m/z (191) 0.93% 0.0317% 2453 1.5 125 55909 2172748 2079830 1-3 20: 73 355 267 269 192 74 251 253 268 179 138 205 357 323 358 154 249 252 237 45 0.650 18.09 133.6 74 98 91 99 355 49.3 15.671 0.275 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN M4942-N1002 ? Pyranone 18.9328 1199.1 15.4 scans 89% TIC 0.18% 0.325% 2549 0.7 330 277260 22227751 20668081 1-2 0.966 20.04 -191.4 79 99 96 99 144 143.3 18.866 -1.109 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.3761 1217.8 8.8 scans 41% 82 m/z (88) 2.5% 0.00984% 2624 1.1 71 20233 673203 601123 1-8 4: 82 81 39 54 0.908 19.12 160.7 75 97 97 100 97 10.6 2.196 0.255 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.5066 1223.3 10.3 scans 14% 119 m/z (70) 10% 0.00199% 2647 1.1 30 4977 136277 122952 5-1 3: 119 91 134 0.830 13.76 23.8 74 81 67 80 134 11.9 15.610 5.750 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1034 ? Decanal 20.7103 1269.4 8.1 scans 79% 57 m/z 0.63% 0.107% 2850 1.0 252 82573 7330596 6519213 4-3 20: 57 41 55 43 70 82 68 71 44 83 56 81 112 67 69 96 84 42 39 54 0.956 20.57 -137.6 78 99 97 99 138 13.3 0.000 0.141 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1779 1283.4 9.1 scans 59% 137 m/z 1.0% 0.0424% 2929 1.0 156 48941 2905562 2652768 2-2 18: 137 152 123 109 67 91 93 95 77 107 119 39 53 138 65 124 51 78 0.765 21.00 198.1 69 90 64 89 155 0.0 0.000 0.177 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 21.2776 1286.4 15.3 scans 31% 87 m/z (94 137) 3.0% 0.0245% 2946 1.6 89 17098 1676822 1561306 1-0 14: 87 129 85 43 61 144 69 148 98 88 102 141 116 59 0.773 22.03 -22.7 66 74 72 79 175 0.0 0.000 -0.756 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.3018 1287.2 8.9 scans 23% 94 m/z 1.1% 0.0117% 2950 1.3 83 44342 806744 759586 1-5 5: 94 138 77 95 139 0.547 20.98 202.2 71 95 80 94 152 2.1 0.000 0.319 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 21.9860 1307.7 10.4 scans 17% 281 m/z 1.9% 0.00773% 3066 1.4 58 27314 528923 486736 2-3 14: 281 282 283 265 223 193 207 249 251 284 148 266 252 250 0.640 12.25 154.6 75 97 60 96 281 45.5 61.802 9.735 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1064 ?? Benzoic acid 22.0149 1308.6 19.3 scans 36% 105 m/z (281) 1.9% 0.0262% 3071 1.3 85 26929 1795345 1772181 0-1 17: 105 73 343 50 341 123 51 100 251 49 74 326 163 253 327 103 164 0.743 20.03 237.9 66 89 78 94 122 43.7 26.287 1.986 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0504 1339.6 10.9 scans 66% 43 m/z (115) 0.48% 0.0830% 3247 0.7 189 107266 5681126 5353541 2-1 16: 43 69 109 71 86 41 127 110 99 56 72 58 155 44 59 100 0.926 22.91 226.0 74 98 94 98 127 27.3 2.081 0.137 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1006 Tridecane 23.9318 1366.3 10.3 scans 34% TIC 3.7% 0.00688% 3396 0.9 69 13904 471010 424113 2-1 0.746 23.86 2.3 81 86 74 84 184 8.0 1.368 0.070 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1803 1374.6 7.3 scans 65% 73 m/z 0.44% 0.0536% 3437 1.1 189 118381 3670220 3432903 1-2 20: 73 341 429 342 147 325 343 430 431 326 207 344 74 432 75 193 59 209 267 263 0.929 24.17 -149.2 79 99 92 99 429 52.2 7.612 0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1016 ? Nicotine 24.3243 1379.4 15.5 scans 81% 60 m/z (281) 0.30% 0.254% 3462 0.6 275 174151 17414676 16151105 1-3 20: 60 73 57 41 55 115 129 43 98 69 56 45 39 42 74 101 83 70 84 53 0.984 25.35 230.2 74 95 93 98 162 0.0 0.000 -1.030 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 24.3255 1379.5 15.5 scans 81% TIC 0.32% 0.213% 3462 0.7 275 161313 14597124 13584410 2-2 0.958 22.70 -95.8 78 96 94 99 158 18.9 0.472 1.629 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1032 ? Dodecane 24.6579 1390.6 8.7 scans 46% 71 m/z 2.4% 0.0125% 3519 1.0 89 21767 861477 765364 5-2 16: 71 57 85 43 41 55 99 84 126 127 113 121 155 72 56 98 0.783 20.36 -9.6 72 80 81 85 170 3.7 0.000 4.300 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.3521 1413.8 8.4 scans 36% 43 m/z 1.0% 0.00945% 3636 1.0 77 50556 646204 578749 7-0 9: 43 145 103 115 116 112 86 99 101 0.841 25.24 -146.1 72 94 90 93 145 27.1 12.341 0.110 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1004 Nicotine 25.6921 1425.1 >26 scans 96% TIC 0.0067% 12.9% 3694 0.3 1658 7729113 887280983 878092038 0-1 1.000 25.89 268.1 80 99 99 99 162 467.3 7.941 -0.200 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8568 1430.6 7.5 scans 87% TIC 0.081% 0.322% 3722 0.9 472 645279 22056392 20606634 2-9 0.981 25.78 275.3 75 95 93 96 194 71.7 2.309 0.080 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1172 1472.7 6.9 scans 24% 221 m/z 4.7% 0.00437% 3935 0.9 57 10961 299029 275097 1-2 15: 221 147 73 281 267 222 223 268 355 148 149 283 443 357 269 0.771 27.12 297.8 70 93 72 91 355 11.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2075 1475.7 >11 scans 62% TIC 1.4% 0.0152% 3950 1.2 112 35102 0.0334% 1040622 1006852 2283988 1-0 0.915 27.21 -0.1 94 97 89 95 198 13.3 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1032 ? Myosmine 27.9808 1504.8 9.4 scans 79% 118 m/z 0.17% 0.167% 4082 1.2 302 305721 11461227 10932208 1-3 20: 118 146 145 105 78 51 119 147 104 63 65 41 42 117 91 50 77 64 76 89 0.953 27.93 318.1 79 99 95 99 146 131.7 19.025 0.050 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6833 1531.2 8.0 scans 63% 43 m/z (202) 0.48% 0.0736% 4200 1.2 198 107481 5036706 4204856 8-10 20: 43 69 41 136 107 151 125 67 109 83 39 121 68 108 81 161 82 105 194 133 0.951 28.67 333.8 76 99 97 99 194 12.8 0.415 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1125 1547.4 7.6 scans 66% 71 m/z (184) 0.41% 0.0912% 4273 1.2 238 125781 0.128% 6238792 5975540 8753007 1-0 20: 71 57 43 85 41 55 70 141 56 113 99 112 84 183 97 69 42 226 72 155 0.844 29.10 343.5 70 97 91 96 227 3.8 0.026 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN GLAU_R~1-N1084 ?? Pentadecane 29.3923 1557.9 8.7 scans 18% 71 m/z 1.8% 0.00875% 4321 0.7 73 28487 598789 534633 1-4 10: 71 57 85 155 113 70 112 42 56 86 0.533 24.54 420.6 62 89 50 85 169 5.1 0.000 4.850 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5222 1562.8 7.2 scans 90% 73 m/z 0.077% 0.367% 4343 0.9 503 675623 25141523 23769646 2-2 20: 73 281 147 327 282 341 415 283 221 503 148 399 74 416 325 207 504 149 505 343 0.979 29.61 -150.3 80 99 97 99 503 70.9 1.982 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1022 ? Nicotyrine 29.6721 1568.4 12.4 scans 32% 158 m/z (43) 0.036% 0.852% 4368 0.9 573 1430591 58296188 53102276 3-2 20: 158 157 130 116 117 89 90 63 104 143 42 142 156 80 62 50 76 128 155 75 0.863 29.68 355.8 76 100 89 99 158 329.2 32.948 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7955 1573.0 7.9 scans 48% 123 m/z 0.10% 0.0973% 4389 0.9 252 500766 6658586 5997700 1-3 14: 123 135 124 107 91 79 109 77 125 53 105 193 165 65 0.802 29.77 359.0 77 97 77 97 193 23.6 0.875 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1810 1587.5 8.0 scans 65% 57 m/z (163) 0.85% 0.0534% 4454 1.1 174 61277 0.0822% 3658061 3266240 5621071 1-1 20: 57 71 85 43 41 99 113 55 56 84 70 69 127 98 169 155 183 141 197 83 0.965 30.38 -7.4 80 82 94 84 212 0.0 0.000 -0.196 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5175 1600.8 8.0 scans 52% 191 m/z 0.17% 0.0708% 4511 0.9 212 304660 4843237 4539226 2-1 17: 191 206 192 163 175 74 91 115 207 107 60 77 147 64 161 193 105 0.855 30.50 376.0 79 98 84 98 206 60.1 8.034 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8445 1614.5 8.4 scans 39% 124 m/z (71) 2.0% 0.0163% 4566 0.8 95 26163 1117159 1025485 2-4 5: 124 137 180 138 181 0.925 30.81 385.1 69 92 83 94 180 20.8 4.837 0.038 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8988 1616.8 9.5 scans 58% 162 m/z (195) 1.2% 0.0483% 4576 1.2 153 40515 3303429 3041319 3-2 19: 162 147 161 105 106 148 104 204 133 77 51 119 163 91 78 79 103 118 65 0.956 30.88 0.8 90 91 81 96 204 11.1 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9466 1618.8 10.6 scans 13% 171 m/z (71) 3.3% 0.00716% 4583 1.1 55 15471 489766 457096 2-3 2: 171 172 0.816 30.93 0.8 88 94 67 96 171 34.2 38.549 0.020 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2353 1631.0 9.4 scans 67% 111 m/z 0.13% 0.263% 4633 0.7 368 385386 17988750 16275079 3-11 18: 111 109 137 180 67 110 124 95 152 79 77 81 39 401 112 93 91 53 0.853 31.18 396.0 76 96 86 97 180 84.7 5.292 0.057 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5275 1643.2 9.3 scans 70% 43 m/z (110) 0.53% 0.0689% 4683 0.9 190 97909 4716534 4525216 1-1 20: 43 98 111 166 55 71 41 151 82 127 83 68 123 67 99 39 107 58 81 69 0.972 31.52 0.5 94 97 96 98 166 35.8 3.553 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9225 1659.8 7.9 scans 47% TIC 1.9% 0.0109% 4749 1.0 111 27510 748296 748296 0-0 0.863 31.92 0.1 79 86 76 84 219 5.9 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0718 1666.1 6.6 scans 25% 221 m/z 1.9% 0.00883% 4774 1.2 80 26612 0.00969% 604162 535608 662630 2-2 17: 221 73 147 207 222 296 355 341 223 342 282 208 356 148 297 281 191 0.734 32.08 -0.3 93 96 70 94 355 15.2 3.655 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2371 1673.1 8.9 scans 55% 57 m/z 0.93% 0.0314% 4803 1.0 150 56184 2147823 1986997 1-1 19: 57 71 43 85 41 113 183 99 55 42 182 70 69 141 127 155 149 83 97 0.828 32.24 -0.0 85 91 87 90 226 7.4 0.240 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4413 1681.6 >12 scans 24% 57 m/z 2.0% 0.0114% 4837 1.4 84 25976 782141 739506 0-1 19: 57 56 197 113 55 70 81 141 123 99 42 196 41 95 198 125 149 101 79 0.513 32.44 -0.1 75 89 56 84 226 2.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6899 1692.1 8.7 scans 32% 205 m/z (165) 5.9% 0.0124% 4879 0.8 83 8782 851092 776127 3-2 6: 205 177 159 162 120 146 0.746 32.67 0.6 81 90 66 87 220 4.6 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9372 1702.5 7.9 scans 45% 71 m/z 0.37% 0.0317% 4921 1.0 147 141344 2169510 2045479 2-5 14: 71 43 159 111 243 56 179 173 72 155 244 143 89 98 0.836 32.93 0.2 90 94 85 98 243 22.7 2.382 0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3103 1718.2 7.4 scans 54% 57 m/z 0.74% 0.0293% 4984 0.8 151 70480 2007935 1833295 4-1 15: 57 71 85 43 99 70 56 113 226 42 84 98 112 126 169 0.895 33.37 -2.6 93 96 84 94 226 18.1 1.426 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8393 1727.5 8.1 scans 27% 217 m/z (71) 2.6% 0.00809% 5074 0.9 67 19902 553328 497402 3-2 6: 217 232 218 157 233 87 0.711 33.83 452.8 60 83 54 96 232 24.1 12.741 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8965 1728.3 7.7 scans 39% 71 m/z 1.7% 0.0145% 5084 1.0 110 29888 994350 960534 1-1 19: 71 43 57 70 85 197 41 55 99 56 113 127 69 141 72 194 42 84 80 0.780 33.90 -0.0 88 95 83 93 197 22.1 4.064 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1212 ? Hexadecene 34.3540 1734.8 16.0 scans 0.63% 187 m/z (173) 10% 0.00693% 5161 1.7 53 4777 474178 448741 1-0 4: 187 97 83 140 0.872 33.09 26.1 76 90 81 87 224 5.3 0.000 1.269 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3995 1735.5 9.3 scans 96% 355 m/z 0.016% 2.65% 5169 0.6 1211 3091934 181381064 175379587 2-1 20: 355 73 221 147 281 356 401 222 402 267 74 207 148 283 403 223 385 325 416 341 0.998 34.39 452.5 81 100 99 100 415 137.3 1.287 0.010 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7708 1740.8 10.9 scans 82% 91 m/z 0.082% 0.372% 5232 0.4 414 635954 25464814 24163250 2-2 18: 91 155 199 90 65 184 92 89 44 120 63 137 77 106 39 156 51 78 0.974 34.79 451.8 80 99 96 99 199 117.1 8.014 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9024 1742.7 8.3 scans 20% 68 m/z (71) 4.6% 0.0115% 5254 1.1 78 11296 788180 695746 3-2 1: 68 0.843 34.90 -0.0 83 95 83 94 224 10.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3458 1749.0 8.7 scans 66% 43 m/z (59) 0.76% 0.0802% 5329 0.7 201 68425 5489855 4926092 2-1 20: 43 69 55 41 56 126 81 95 70 111 83 82 84 137 96 97 67 112 196 100 0.915 35.35 451.6 72 96 95 97 196 14.4 0.512 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6876 1753.9 8.7 scans 49% 123 m/z (70) 0.70% 0.0520% 5387 1.3 168 74333 3561118 3407981 2-3 13: 123 193 124 79 109 77 91 194 166 115 181 131 65 0.898 35.70 451.2 72 96 89 96 224 27.4 2.657 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9278 1757.3 16.8 scans 35% 55 m/z (73) 2.6% 0.0424% 5428 1.5 135 19886 0.0527% 2901868 2771342 3603777 1-0 19: 55 97 83 147 111 157 109 159 67 82 133 89 204 54 149 70 185 107 110 0.874 35.94 450.9 62 89 78 89 238 4.8 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 36.1061 1759.9 8.4 scans 60% 71 m/z 0.29% 0.107% 5458 1.2 268 175885 7371016 6622280 1-3 20: 71 85 57 43 99 113 69 127 55 41 155 70 84 141 83 56 111 112 169 86 0.863 29.94 543.5 71 92 86 97 254 0.0 0.000 6.165 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5176 1765.8 6.8 scans 13% 221 m/z (91) 2.5% 0.0137% 5527 0.8 99 20563 942519 871843 2-3 5: 221 73 295 282 341 0.575 36.58 449.3 64 93 45 95 369 12.3 0.000 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1982 1775.5 8.2 scans 40% 209 m/z 0.54% 0.0371% 5643 1.0 155 96180 2542227 2393546 2-1 19: 209 224 181 210 165 167 105 178 103 179 166 77 225 191 152 194 91 193 115 0.878 37.20 449.2 77 97 82 97 224 51.9 11.213 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0548 1787.8 8.3 scans 50% 57 m/z (132) 1.1% 0.0349% 5788 1.1 140 45053 2390811 2208899 2-2 19: 57 71 85 43 56 41 99 55 224 97 113 127 70 69 196 141 83 225 58 0.936 38.06 448.1 73 98 95 97 225 25.4 3.270 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.5743 1795.2 8.4 scans 93% 73 m/z 0.024% 1.41% 5876 0.9 912 2145063 97036242 91736478 2-3 20: 73 147 429 281 430 341 207 431 222 401 148 295 343 208 133 205 358 59 403 45 0.993 38.59 447.1 80 99 99 99 429 242.3 7.075 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1016 Octadecane 38.8222 1798.7 10.8 scans 9.5% 57 m/z (108) 1.3% 0.0281% 5918 1.0 110 38422 1922649 1748013 2-1 11: 57 71 85 155 196 98 225 211 183 100 126 0.727 38.91 -1.3 81 93 73 89 254 8.2 0.000 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N406_R~1-N1108 ? Solavetivone 38.8577 1799.3 8.9 scans 81% 108 m/z 0.36% 0.389% 5924 0.7 466 144055 26635437 24261408 3-2 20: 108 133 79 91 147 93 161 67 107 109 190 77 137 121 120 68 175 176 119 148 0.952 38.84 447.3 76 96 92 96 272 0.0 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8382 1915.1 12.3 scans 93% 68 m/z 0.026% 4.57% 6090 0.3 1389 2001388 313046701 287097772 2-2 20: 68 95 82 123 57 69 81 55 43 67 83 41 97 71 109 96 124 111 79 56 0.998 39.94 546.0 80 100 100 100 278 76.7 0.305 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9102 1924.0 6.9 scans 56% 43 m/z 0.66% 0.0526% 6102 1.2 210 79472 3597721 3286212 0-3 20: 43 58 71 59 85 109 55 57 41 95 110 69 124 250 83 56 70 81 96 126 0.912 39.88 555.7 75 97 91 95 250 21.8 1.074 0.027 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3181 1974.6 8.0 scans 32% 149 m/z (183) 0.35% 0.0313% 6171 1.1 137 148674 2141622 1985423 2-4 6: 149 150 104 76 205 50 0.952 40.31 599.7 74 96 92 98 223 30.3 4.882 0.013 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6027 2009.9 6.9 scans 7.0% 221 m/z 4.1% 0.00428% 6220 1.0 57 12684 292826 267512 1-5 12: 221 73 295 281 222 267 207 297 369 296 370 282 0.807 40.63 629.8 63 87 61 84 369 11.3 3.972 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1254 ? Phytol 40.8601 2041.8 10.1 scans 6.4% 82 m/z (83) 4.3% 0.00732% 6264 1.1 53 12052 501123 430736 2-1 6: 82 96 68 278 110 86 0.302 40.87 -0.9 78 90 26 84 278 13.6 6.591 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2544 2090.7 9.1 scans 40% 79 m/z (155) 1.2% 0.0667% 6330 0.9 181 41069 4565759 4122035 2-4 13: 79 67 93 80 95 108 107 121 94 87 59 78 122 0.936 41.26 -0.3 92 98 93 96 264 11.0 0.372 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.5065 2120.3 10.8 scans 87% 205 m/z 0.10% 0.955% 6373 0.3 676 493297 65311555 63182147 2-1 20: 205 217 57 175 189 220 177 55 232 91 41 261 203 191 161 206 135 109 77 163 0.978 41.49 -76.3 86 100 97 100 276 44.3 0.429 0.016 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0159 2148.9 8.0 scans 25% 74 m/z (93) 0.076% 0.386% 6459 1.0 472 687089 26404507 24014519 3-4 15: 74 87 43 143 75 57 239 59 97 101 88 199 241 56 42 0.872 42.01 746.9 74 98 87 97 272 14.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0377 2150.1 9.8 scans 75% 93 m/z (74) 0.095% 1.46% 6463 0.7 836 548935 100406036 93156694 3-3 20: 93 107 105 119 81 91 121 79 229 133 77 95 109 147 135 120 272 149 134 106 0.936 42.05 -0.5 97 99 94 100 272 92.6 1.226 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3347 2166.8 8.2 scans 38% 73 m/z (161) 0.20% 0.158% 6513 1.0 301 260606 10832651 10007488 2-4 19: 73 281 221 355 207 429 341 282 503 222 283 356 430 295 415 504 357 342 223 0.905 42.37 757.8 74 95 94 99 503 40.9 1.846 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3920 2170.0 9.0 scans 87% 161 m/z 0.072% 1.30% 6523 0.7 859 727147 89150382 81270889 3-2 20: 161 91 79 93 105 81 77 119 107 133 67 41 229 95 121 55 162 69 109 120 0.990 42.40 -0.4 99 98 98 98 272 61.2 0.509 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1252 Contamination 43.31min 43.3459 2223.6 9.4 scans 10% 263 m/z (211) 0.27% 0.0754% 6684 1.0 185 194064 5156707 4577202 2-6 18: 263 278 264 219 57 279 203 235 87 220 265 221 247 217 45 58 205 233 0.158 43.31 2.2 87 99 21 91 278 60.4 10.672 0.039 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1250 ? Kaurene 43.2min RI2212 43.8536 2252.1 8.9 scans 62% 121 m/z (198) 0.41% 0.170% 6771 1.0 297 125567 11633391 10448196 4-4 15: 121 136 93 272 91 107 79 68 77 67 161 122 53 134 92 0.948 43.15 39.3 71 78 77 80 272 52.7 3.153 0.700 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2881 2277.0 7.3 scans 8.5% 221 m/z (176) 5.9% 0.00629% 6844 1.0 64 8878 430325 402679 2-1 9: 221 73 295 257 222 275 281 296 207 0.611 44.32 829.7 62 92 64 98 369 8.7 1.821 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1234 Thunbergol 44.9133 2312.9 10.3 scans 74% 43 m/z (226) 0.23% 0.690% 6950 0.9 564 225862 47251115 42010441 3-1 20: 43 81 109 67 95 107 121 93 69 97 55 71 123 41 149 229 189 135 79 136 0.997 44.90 0.7 95 96 97 97 272 38.3 0.462 0.012 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N6_REP1-N1180 UNK Alkene structure 2 45.0178 2318.9 10.6 scans 72% 105 m/z 0.10% 1.43% 6967 0.6 865 522019 1.79% 97891045 92089490 122405326 8-0 20: 105 131 91 145 119 133 157 159 134 77 129 227 117 147 81 128 115 132 185 120 0.890 44.99 858.5 80 100 97 100 270 130.7 2.283 0.029 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN N6_REP1-N1178 UNK Alkene structure 45.5266 2348.2 10.7 scans 87% 81 m/z 0.037% 2.42% 7054 0.5 1089 1405560 2.79% 165507384 156429673 190788190 2-0 20: 81 43 71 79 93 41 53 109 135 69 149 97 133 121 137 123 77 91 139 245 0.983 45.47 878.3 80 100 99 99 288 44.8 0.169 0.053 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7828 2363.0 8.0 scans 2.1% 73 m/z 1.4% 0.0131% 7097 1.1 91 36318 897107 851864 2-5 14: 73 355 221 281 356 222 357 325 295 358 415 343 265 416 0.741 45.78 0.4 86 90 56 87 503 9.4 1.059 0.007 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN HCMIX_~1-N1022 ?? Henicosane 46.2067 2387.4 7.7 scans 24% 71 m/z (96) 1.9% 0.0173% 7169 0.8 107 27114 1186717 1163563 1-0 17: 71 43 55 127 41 100 83 109 97 94 72 69 296 185 246 112 123 0.882 46.28 -4.3 65 72 84 76 296 8.3 0.608 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7604 2419.2 7.9 scans 16% 74 m/z (259) 2.1% 0.0114% 7263 1.1 82 23852 785997 707659 2-3 8: 74 87 75 255 88 298 101 267 0.865 46.76 924.1 67 93 80 91 298 16.8 4.185 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN TAB_REP1-N1224 ?? Sclareol 47.35min 47.2415 2446.9 8.9 scans 57% 84 m/z (249) 1.5% 0.0695% 7344 1.3 191 34632 4756745 4246154 2-3 20: 84 69 93 136 68 135 67 137 107 41 79 121 55 109 53 123 134 149 91 124 0.966 47.36 -6.6 64 69 77 70 272 0.0 0.000 -0.114 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8337 2711.2 9.2 scans 42% TIC 2.3% 0.00953% 8122 1.0 78 22445 0.0127% 651784 591316 868462 2-0 0.698 51.86 1080.3 74 96 68 94 503 10.6 1.887 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6083 2870.8 9.7 scans 54% 73 m/z (71) 3.2% 0.0114% 8592 1.1 73 16072 779767 702670 2-3 19: 73 221 355 430 429 357 222 281 327 341 149 503 295 283 191 148 145 265 342 0.807 45.81 1394.3 70 97 84 95 503 8.1 0.000 8.796 G:\GCMS data\Nicotiana diversity panel SPME\N6_REP6.FIN BLKEND~1-N1018 ?? Contamination 48.95min 57.8710 3058.5 13.4 scans 37% TIC 7.0% 0.00395% 9145 1.7 44 7435 270159 251734 2-2 0.624 48.95 1508.1 69 95 58 91 429 11.5 6.998 8.922 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1002 Contamination 4.37min 4.2649 775.3 >26 scans 50% 45 m/z (44) 0.56% 0.0295% 64 1.6 81 64336 2290782 2070223 0-3 5: 45 155 75 39 59 0.930 4.37 21.3 95 98 96 99 77 69.5 73.417 -0.106 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5860 835.7 20.0 scans 72% 207 m/z 0.35% 0.0383% 457 2.9 114 101166 2976335 2666525 2-2 20: 207 208 97 209 191 96 192 133 135 177 103 176 119 121 115 59 178 73 194 75 0.857 6.53 -141.1 80 100 85 99 207 87.2 58.848 0.058 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6805 864.2 8.6 scans 91% 55 m/z 0.22% 0.182% 643 2.3 314 160479 14142656 12277287 2-3 20: 55 41 69 83 39 42 57 98 70 56 43 97 80 53 54 79 68 40 51 38 0.992 7.71 8.9 100 100 99 100 98 59.9 3.634 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2674 983.6 >11 scans 29% 134 m/z (125) 0.95% 0.0109% 1419 11.2 86 37796 0.0391% 849844 767966 3032486 0-1 10: 134 282 192 250 266 179 265 165 193 100 0.488 12.22 37.3 89 97 79 97 281 53.3 38.538 0.047 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6871 994.6 11.7 scans 86% 81 m/z (94) 0.45% 0.0418% 1491 1.9 131 79246 3249174 2985053 1-4 18: 81 110 53 41 68 82 51 91 66 52 95 50 63 109 111 80 78 62 0.975 13.22 31.0 93 97 96 99 110 37.6 8.220 -0.535 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1022 ?? Octanal 12.9415 1001.2 7.2 scans 35% 84 m/z (55) 10% 0.00305% 1534 0.9 47 3530 236640 214017 1-2 9: 84 57 56 41 67 42 72 54 99 0.804 12.96 -173.6 67 98 84 95 110 3.1 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKSTART-N1004 ?? Contamination 12.42min 12.9415 1001.2 7.2 scans 11% 84 m/z 10% 0.000679% 1534 0.9 27 3580 52683 47646 1-2 9: 84 57 56 41 67 42 72 54 99 0.327 12.42 51.5 65 89 76 88 281 2.4 0.000 0.523 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1016 Limonene 13.9108 1027.5 8.1 scans 67% 68 m/z 1.1% 0.0191% 1698 1.1 115 32421 1481796 1330251 3-4 19: 68 93 67 79 91 107 77 53 41 39 80 81 105 69 95 92 121 52 65 0.849 13.89 52.2 89 98 85 97 136 23.8 4.301 0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.1700 1034.5 >17 scans 78% 53 m/z 0.10% 0.310% 1743 0.0 347 336483 0.702% 24095929 22200735 54445143 1-0 2: 53 105 0.994 14.11 55.5 92 100 99 100 108 151.3 18.967 0.061 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4534 1042.2 10.3 scans 78% 91 m/z 0.17% 0.0620% 1790 1.8 177 208240 4813831 4250282 2-4 19: 91 92 120 65 63 89 50 51 62 121 90 93 118 41 74 61 38 76 52 0.959 14.44 57.4 91 100 96 99 120 57.2 10.482 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0218 1057.6 7.9 scans 40% 70 m/z (98) 8.0% 0.00357% 1886 1.6 47 4486 277349 242075 1-3 15: 70 41 69 55 83 57 68 82 67 39 97 84 71 93 51 0.784 18.83 4.9 71 79 74 78 122 0.0 0.000 -3.808 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1871 1062.1 13.0 scans 91% TIC 0.071% 0.289% 1914 2.1 328 505533 22438131 20516272 2-1 0.985 15.17 64.7 90 100 99 100 123 115.3 12.367 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN 98-86-2 ? Acetophenone 15.2609 1064.1 >11 scans 69% 105 m/z 0.19% 0.0637% 1927 999.0 189 184836 0.214% 4947807 4567393 16597237 0-2 9: 105 121 38 51 78 62 98 297 86 0.967 15.29 -181.6 78 98 96 98 120 46.3 5.989 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.2609 1064.1 >11 scans 40% 105 m/z (77 120) 0.23% 0.0440% 1927 999.0 145 154664 0.148% 3419893 3156954 11478463 0-2 9: 105 121 38 51 78 62 98 297 86 0.872 20.03 -6.6 61 68 50 69 122 31.9 4.859 -4.768 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4492 1069.2 10.6 scans 47% 95 m/z 0.98% 0.0154% 1959 1.3 91 36703 0.0192% 1197878 979088 1489098 2-4 16: 95 81 124 79 43 65 53 41 96 39 125 109 66 94 123 54 0.872 15.43 67.5 84 96 80 95 124 29.6 10.636 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1002 Undecane 16.6022 1100.6 8.0 scans 66% 71 m/z (108) 2.3% 0.00787% 2154 1.9 70 15117 610601 553337 1-2 11: 71 41 99 55 84 127 156 69 95 93 80 0.908 16.59 0.6 94 99 92 97 156 9.5 1.839 0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1016 Nonanal 16.7875 1108.5 8.8 scans 84% 57 m/z (109) 0.74% 0.0532% 2185 1.4 171 48611 4131022 3660747 5-4 20: 57 41 56 43 98 44 70 82 69 68 96 42 39 67 114 71 83 54 45 99 0.984 16.82 86.1 80 99 99 99 124 11.2 0.427 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1072 ?? Cyclohexanol, 1,3-dimethyl- 16.9788 1116.6 9.2 scans 24% 71 m/z (267) 4.4% 0.00430% 2218 1.1 47 8061 334045 302742 0-8 7: 71 110 95 58 85 128 113 0.796 16.97 91.9 69 95 75 96 128 12.4 7.077 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1074 Benzeneethanol 17.1600 1124.2 10.5 scans 79% 91 m/z 0.14% 0.0989% 2249 0.6 211 244603 7670523 6828180 1-5 16: 91 92 122 65 77 89 63 51 39 93 78 62 90 50 52 74 0.948 17.05 98.2 80 99 93 99 122 71.5 11.498 0.108 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0957 1163.7 10.5 scans 75% 73 m/z 0.36% 0.0472% 2407 1.4 161 99302 3663926 3453370 2-2 17: 73 267 355 268 269 357 356 74 252 163 45 177 191 341 162 358 238 0.897 18.13 -168.0 79 99 88 99 355 67.2 17.407 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1018 ? Contamination 12.25min 18.4446 1178.5 7.0 scans 8.5% 282 m/z 26% 0.000192% 2466 0.6 16 1371 0.000297% 14872 14872 23034 0-0 2: 282 283 0.477 12.25 25.4 72 84 50 83 281 10.1 41.991 6.194 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1026 ?? Limonene 18.8224 1194.4 11.1 scans 14% 79 m/z (41) 10% 0.00259% 2530 0.7 35 3326 201092 175638 0-1 9: 79 80 67 68 95 82 40 107 77 0.609 13.94 -10.5 67 85 53 81 136 4.5 0.000 4.887 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1394 1207.8 8.3 scans 23% 82 m/z 6.4% 0.00146% 2583 1.5 31 5576 113644 79890 1-10 8: 82 39 81 54 43 97 95 124 0.656 19.12 150.7 72 99 68 96 97 6.5 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.7941 1235.5 >6 scans 5.8% 119 m/z 5.3% 0.00275% 2694 0.0 34 6722 0.00741% 213736 200483 574699 4-0 3: 119 88 39 0.889 13.76 36.0 70 80 62 79 134 13.4 15.545 6.037 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8667 1238.6 9.1 scans 91% 57 m/z 0.099% 0.212% 2707 0.7 344 364021 16466485 14999432 2-5 20: 57 45 41 75 87 56 89 72 59 100 101 43 85 60 71 44 73 55 58 132 0.981 19.81 171.1 78 97 94 100 144 7.5 0.000 0.053 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3224 1257.8 9.6 scans 22% 57 m/z (59) 6.3% 0.00220% 2784 1.4 34 5657 171064 156497 1-6 7: 57 142 85 99 98 84 70 0.629 20.32 0.1 83 95 61 91 170 4.8 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1034 ? Decanal 20.5285 1264.0 8.2 scans 73% 57 m/z (110) 1.8% 0.0240% 2819 0.8 119 19776 1867408 1676213 2-3 18: 57 41 55 71 70 68 82 44 83 56 112 81 69 84 67 42 54 72 0.971 20.57 -143.0 76 99 98 99 138 5.5 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9948 1278.0 8.5 scans 59% 152 m/z 2.2% 0.0124% 2898 1.1 93 15766 967616 874400 1-3 16: 152 137 109 123 81 67 91 77 95 39 79 153 65 107 78 53 0.832 21.00 192.7 65 86 67 85 155 0.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1006 ? Arosol 21.1625 1283.0 9.9 scans 83% 94 m/z 0.17% 0.0709% 2926 1.3 196 205888 5506427 5156482 2-4 18: 94 138 77 95 66 65 51 107 39 79 78 93 139 63 50 40 96 38 0.951 20.98 198.0 78 97 94 99 152 0.0 0.000 0.179 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1038 ? Contamination 21.56min 21.4789 1292.5 6.6 scans 22% 281 m/z 8.0% 0.00144% 2980 1.1 35 4502 112196 109726 3-0 9: 281 147 73 369 148 370 283 207 265 0.781 21.56 -146.2 72 95 72 94 369 9.4 7.313 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.9370 1336.2 11.3 scans 43% 69 m/z (57 136) 2.0% 0.0132% 3227 0.8 81 17833 1031353 984228 2-1 11: 69 109 86 148 41 99 127 126 128 95 50 0.888 22.91 222.6 64 90 87 95 127 8.4 1.088 0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.8455 1363.5 9.9 scans 28% 57 m/z (94) 4.9% 0.00534% 3381 1.4 51 7311 414133 354289 2-1 10: 57 71 43 85 41 84 105 56 83 86 0.519 23.86 -0.5 73 90 79 86 184 5.1 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.1171 1372.5 7.5 scans 85% 73 m/z 0.11% 0.121% 3427 0.9 303 314642 9459160 9067461 1-2 20: 73 341 429 342 325 147 343 430 431 74 326 207 327 75 59 45 432 251 311 193 0.949 24.17 -151.3 80 100 94 99 429 85.5 7.947 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1040 ? Nonanoic acid 24.3402 1380.0 15.3 scans 68% TIC 0.78% 0.0470% 3465 1.2 138 46194 3646790 3345411 2-2 0.856 22.70 -95.3 75 97 85 97 158 9.4 0.000 1.644 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2765 1411.2 >8 scans 39% 43 m/z (71) 1.1% 0.00592% 3623 1.1 65 32260 459670 436406 5-0 6: 43 103 145 115 86 149 0.894 25.24 -148.7 75 98 95 98 145 21.6 11.041 0.034 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1004 Nicotine 25.6224 1422.8 >22 scans 95% TIC 0.0050% 12.2% 3682 0.1 1836 7135347 949418848 926707945 0-2 1.000 25.89 265.8 80 99 99 100 162 542.4 8.731 -0.270 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0333 1436.5 8.4 scans 10% 145 m/z (67) 3.7% 0.00308% 3751 0.9 44 9731 239386 215784 2-1 8: 145 160 168 117 115 146 116 102 0.638 27.08 -186.3 60 86 58 89 160 18.9 18.411 -1.044 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1106 1472.5 >8 scans 62% TIC 0.88% 0.0106% 3934 1.3 117 40727 0.0246% 824170 785093 1907907 1-0 0.905 27.12 297.6 78 98 89 98 355 20.1 2.923 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1697 1474.5 7.7 scans 67% 57 m/z (158) 0.72% 0.0255% 3944 1.0 132 49570 0.0363% 1979652 1864538 2815326 2-0 18: 57 71 43 85 41 70 56 55 99 42 98 113 112 198 126 69 169 83 0.949 27.21 -1.3 94 98 94 97 198 14.9 1.278 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1032 Myosmine 27.9377 1503.2 10.8 scans 70% 118 m/z 0.29% 0.0627% 4074 1.5 191 121633 4868925 4385551 2-1 19: 118 146 145 105 78 119 51 147 50 117 104 42 41 63 64 65 91 39 77 0.965 27.93 316.5 80 99 95 99 146 81.5 18.245 0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3798 1519.8 8.8 scans 15% 80 m/z (141) 3.4% 0.00270% 4150 0.9 41 10420 210132 201001 1-2 4: 80 172 170 171 0.700 28.39 326.4 65 94 72 92 171 19.1 21.922 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6608 1530.4 7.9 scans 91% 43 m/z 0.052% 0.324% 4197 0.9 480 689644 25179754 23983533 2-4 20: 43 69 41 151 136 107 67 125 93 109 83 53 68 121 81 39 55 108 79 91 0.985 28.67 333.0 80 99 99 99 194 28.2 0.344 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BQLD_R~1-N1060 ? UNK Hydrocarbon with methyl chains 29.0930 1546.6 7.6 scans 60% 71 m/z (119) 0.56% 0.0509% 4270 1.2 186 64295 0.0638% 3950190 3617524 4948148 2-0 20: 71 57 43 85 177 41 70 55 141 220 113 99 56 112 84 135 97 149 67 207 0.870 29.09 342.9 70 93 84 96 220 26.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5269 1562.9 9.0 scans 75% TIC 0.096% 0.183% 4343 1.1 365 373661 14245300 13427731 2-0 0.933 29.61 -150.2 79 99 95 99 503 56.8 2.428 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1022 Nicotyrine 29.6408 1567.2 10.7 scans 81% 158 m/z 0.014% 1.19% 4363 0.7 786 2541311 92306376 87185844 2-5 20: 158 157 130 159 116 89 117 156 63 90 77 104 78 131 143 42 51 142 103 39 0.937 29.68 354.6 80 100 93 100 158 437.0 30.881 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6573 1567.8 6.6 scans 11% 177 m/z (127) 0.10% 0.0807% 4366 1.1 254 338555 6262744 5876494 4-1 13: 177 178 135 149 107 121 133 122 192 109 162 136 179 0.203 29.68 355.3 70 100 36 93 192 34.9 1.894 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7541 1571.5 7.9 scans 61% 123 m/z (57) 0.17% 0.0540% 4382 1.0 192 210396 4190484 3996488 1-2 8: 123 135 124 107 95 109 193 136 0.958 29.77 357.5 77 99 97 99 193 13.9 0.519 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9377 1578.4 9.2 scans 65% 71 m/z (167) 0.37% 0.0763% 4413 0.9 200 95953 5924123 5694293 1-1 13: 71 85 57 43 99 113 127 69 70 155 84 56 169 0.970 29.94 362.0 75 98 96 99 254 4.6 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3209 1592.8 7.7 scans 32% 57 m/z (141) 1.5% 0.0101% 4477 1.3 85 22737 789851 777414 0-2 19: 57 71 43 85 55 41 70 140 54 56 83 99 212 113 98 151 42 58 86 0.944 30.38 -2.1 84 89 87 88 212 11.3 1.765 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4844 1599.4 7.9 scans 79% 191 m/z 0.051% 0.160% 4506 0.9 341 697334 12467237 11506235 2-3 20: 191 206 57 192 163 74 41 91 175 115 107 88 73 77 207 147 128 60 117 105 0.952 30.50 374.6 80 99 94 99 206 90.7 7.058 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N406_R~1-N1098 ? Olivetol 30.8120 1613.2 8.8 scans 42% 124 m/z (162) 0.55% 0.0381% 4561 1.0 151 65280 2958012 2718454 2-6 13: 124 137 55 125 54 138 82 180 96 168 123 152 139 0.881 30.81 383.8 74 98 94 99 180 37.5 6.126 0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8516 1614.8 9.6 scans 59% 162 m/z (124) 0.26% 0.0731% 4568 1.2 199 135360 5671657 5151846 2-4 12: 162 147 161 163 77 145 115 131 103 144 63 66 0.917 30.88 -1.2 75 79 62 79 204 4.1 0.000 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9295 1618.1 8.7 scans 21% 171 m/z (143) 1.4% 0.00783% 4581 1.2 67 24547 607803 551098 3-5 4: 171 172 156 173 0.939 30.93 0.1 94 97 86 96 171 42.9 40.770 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1851 1628.9 9.3 scans 79% TIC 0.12% 0.179% 4624 0.9 343 291644 13896499 12628873 4-1 0.953 31.18 393.9 79 98 95 100 180 70.0 4.169 0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 31.3197 1634.5 9.8 scans 50% 71 m/z (168) 0.58% 0.0648% 4647 0.7 164 61804 5030080 4506637 1-3 18: 71 85 57 43 155 99 55 113 127 84 169 72 56 53 70 81 126 125 0.781 24.54 497.2 66 89 90 94 169 20.0 1.494 6.778 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5127 1642.6 8.9 scans 76% 43 m/z (113) 0.22% 0.0865% 4679 1.0 226 162841 6714063 6080726 2-2 20: 43 98 111 166 55 82 151 127 41 83 107 68 67 123 39 71 81 69 59 85 0.980 31.52 -0.1 97 99 98 99 166 45.7 4.095 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6385 1647.9 8.4 scans 41% 85 m/z (175) 1.5% 0.0188% 4701 1.0 107 23425 1465198 1310485 1-2 20: 85 73 237 99 223 341 127 207 429 69 251 55 147 355 41 113 84 267 326 239 0.764 31.63 0.2 74 96 85 91 429 12.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9206 1659.8 7.7 scans 44% 83 m/z (143) 1.0% 0.0203% 4748 0.9 117 33236 1579773 1521803 4-0 6: 83 82 71 55 210 126 0.947 31.92 0.1 78 83 90 83 219 2.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0824 1666.6 6.8 scans 48% 221 m/z 0.67% 0.0198% 4776 1.1 129 53671 1539643 1454847 4-2 19: 221 73 147 222 295 207 341 74 296 325 148 267 208 355 283 75 223 356 191 0.871 32.08 0.2 98 99 85 98 355 22.2 2.962 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2288 1672.7 8.5 scans 66% 57 m/z (157) 0.44% 0.0577% 4801 1.2 187 81148 4479075 4204550 1-3 20: 57 149 105 77 43 71 100 41 85 123 56 99 137 55 150 51 113 42 106 92 0.916 32.24 -0.4 70 75 75 80 226 5.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4390 1681.5 8.3 scans 62% 57 m/z (69) 0.52% 0.0429% 4837 0.9 163 68454 3333785 3057317 2-2 19: 57 71 85 56 43 41 197 55 196 99 113 70 168 83 84 97 169 42 58 0.966 32.44 -0.2 84 88 89 87 226 5.7 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6686 1691.2 8.2 scans 71% 205 m/z 0.85% 0.0856% 4875 0.9 251 42259 6639471 6090111 5-1 20: 205 119 91 105 43 159 79 107 41 162 81 146 77 147 131 187 69 67 121 145 0.909 32.67 -0.3 97 97 89 97 220 15.4 0.378 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8616 1699.3 7.9 scans 19% 70 m/z (149) 0.66% 0.0167% 4908 1.5 101 54433 1301620 1178517 8-2 3: 70 96 202 0.585 32.87 -0.2 73 85 50 82 186 6.0 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9301 1702.2 8.0 scans 52% 71 m/z 0.11% 0.0533% 4920 0.7 193 302116 4135279 3776930 3-2 12: 71 43 159 111 243 72 173 155 143 89 73 174 0.871 32.93 -0.1 95 96 89 96 243 30.9 2.563 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0877 1708.8 7.2 scans 37% 83 m/z (87) 3.1% 0.0135% 4946 1.1 98 11350 1050616 923719 8-1 19: 83 111 97 55 69 57 70 56 41 84 43 98 85 82 71 42 68 125 54 0.873 33.09 0.1 84 92 94 97 224 3.7 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3050 1717.9 7.7 scans 70% 57 m/z (168) 0.35% 0.0538% 4983 0.9 191 102151 0.0660% 4175477 3930612 5118774 0-1 20: 57 71 43 85 41 56 55 99 169 70 42 226 69 112 113 84 111 140 72 83 0.977 33.37 -2.9 89 92 96 93 226 19.6 1.056 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8929 1728.2 7.1 scans 30% 71 m/z (193) 2.0% 0.0100% 5083 1.0 87 17256 780055 705355 1-1 18: 71 57 43 70 85 197 208 113 196 99 41 140 141 56 55 165 69 155 0.838 33.90 -0.1 88 98 90 98 197 16.5 3.588 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2707 1733.6 8.2 scans 42% 57 m/z (173) 1.0% 0.0208% 5147 0.9 116 35818 1614118 1467722 1-1 15: 57 71 85 43 210 41 211 98 182 119 127 113 141 183 93 0.893 34.27 0.0 87 93 90 96 211 18.7 2.607 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.4142 1735.7 7.4 scans 91% 73 m/z 0.037% 0.492% 5171 1.0 611 977472 38224800 36031074 2-2 20: 73 355 147 281 356 401 357 282 222 74 415 327 148 283 223 75 149 416 59 133 0.979 34.39 452.7 81 100 97 100 415 68.8 1.271 0.025 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8156 1741.4 16.2 scans 90% 91 m/z 0.018% 1.40% 5239 0.3 726 1954156 108962198 100147451 1-2 20: 91 155 199 90 65 184 92 89 44 120 63 106 77 39 156 200 51 134 185 78 0.991 34.79 452.4 81 100 98 100 199 199.7 7.565 0.030 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9018 1742.7 8.3 scans 39% 68 m/z (71) 0.75% 0.0421% 5254 1.2 162 47676 3268151 3007772 1-2 6: 68 69 111 224 54 154 0.884 34.90 -0.0 89 94 95 98 224 19.1 1.397 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1042 ? Phytol 35.3487 1749.1 8.4 scans 70% 57 m/z (211) 0.39% 0.109% 5329 0.9 259 92452 8520953 7582352 6-1 20: 57 43 69 55 95 56 81 41 70 126 111 82 83 137 96 67 97 109 196 112 0.962 35.35 451.7 75 97 97 100 196 25.0 0.929 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6881 1753.9 8.7 scans 30% 123 m/z (100) 1.0% 0.0225% 5387 1.2 115 34922 1746378 1599941 3-2 16: 123 193 209 195 105 124 175 167 194 165 181 224 133 166 149 178 0.891 35.70 451.2 70 93 78 94 224 15.8 1.875 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9266 1757.3 9.1 scans 46% TIC 0.26% 0.0515% 5427 1.3 212 134318 0.0585% 3995900 3705321 4537095 1-0 0.697 35.94 450.9 71 94 65 92 238 7.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1186 ?? Cotinine 36.2076 1761.3 13.0 scans 15% 98 m/z (57) 1.1% 0.0141% 5475 2.1 74 32052 1093865 997267 7-1 7: 98 118 115 78 51 175 176 0.850 36.19 -88.5 69 93 78 91 176 28.5 14.775 0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5671 1766.5 6.8 scans 24% 221 m/z (71) 1.1% 0.0150% 5536 1.0 109 32746 1164603 1072052 4-2 14: 221 73 147 295 281 369 355 341 296 327 283 371 343 370 0.890 36.58 450.0 73 97 86 96 369 16.4 2.290 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1982 1775.5 8.4 scans 23% 209 m/z (99) 1.0% 0.0160% 5643 0.9 101 35639 1246692 1130220 3-2 17: 209 224 181 165 167 211 178 179 166 105 210 116 103 225 152 239 168 0.848 37.20 449.2 71 94 83 98 224 31.4 9.588 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3009 1777.0 10.2 scans 58% 71 m/z (216) 0.60% 0.0618% 5660 1.7 176 59948 4795377 4233636 1-4 19: 71 85 57 43 99 84 113 69 127 41 141 211 112 155 70 56 169 226 111 0.955 38.91 -23.0 78 83 93 82 254 0.0 0.000 -1.609 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0607 1787.9 8.7 scans 57% 57 m/z 0.36% 0.0444% 5789 1.1 188 98907 3448938 3202231 2-2 19: 57 71 85 43 56 41 99 225 55 224 113 70 69 127 83 98 141 84 97 0.862 38.06 448.2 77 99 87 97 225 34.5 3.372 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.6333 1796.0 8.8 scans 85% 73 m/z 0.057% 0.341% 5886 1.2 465 634408 26504935 24849264 2-3 20: 73 147 429 221 355 430 281 341 207 431 356 222 74 148 267 342 295 282 432 459 0.972 38.59 447.9 80 99 97 99 429 128.4 7.618 0.042 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4609 1868.3 13.5 scans 20% 143 m/z 1.3% 0.0120% 6026 2.3 73 25872 937435 859446 3-2 13: 143 228 88 214 227 75 213 211 225 129 101 185 117 0.544 39.45 506.8 70 96 53 91 256 12.6 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1018 ? Neophytadiene 39.8736 1919.5 >13 scans 96% 72 m/z 0.011% 5.19% 6096 0.1 1759 3277463 402942574 402942574 0-0 16: 72 250 238 249 196 279 235 178 167 233 206 62 73 189 191 147 0.999 39.94 550.4 79 98 99 98 278 64.0 0.132 -0.062 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4344 1989.0 7.7 scans 42% 149 m/z (81) 0.11% 0.0585% 6191 1.0 202 313755 4544452 4313349 2-3 11: 149 150 104 223 76 167 205 132 50 206 75 0.939 40.31 614.1 75 97 94 98 223 40.5 4.017 0.129 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N406_R~1-N1110 Phytol 40.4757 1994.1 6.9 scans 77% 81 m/z (176) 0.19% 0.215% 6198 0.9 411 187791 0.254% 16678581 16066560 19699524 4-2 18: 81 82 95 68 123 69 43 55 67 83 79 109 96 97 71 124 110 111 0.988 40.66 -23.1 93 96 97 96 278 41.7 1.030 -0.186 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6192 2011.9 7.1 scans 28% 221 m/z (156) 1.3% 0.0139% 6223 1.1 101 27234 1081135 984536 2-10 19: 221 73 147 295 207 281 222 369 223 282 327 370 74 401 357 191 297 209 283 0.878 40.63 631.8 72 98 87 98 369 17.0 2.840 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1254 Phytol 40.9007 2046.8 7.5 scans 89% 82 m/z 0.13% 0.310% 6270 0.9 493 273058 24077709 23140963 1-3 20: 82 81 95 68 123 57 43 69 83 55 79 67 71 41 96 97 109 124 111 56 0.985 40.87 4.1 99 99 98 99 278 57.9 1.379 0.034 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2786 2093.7 7.8 scans 54% 79 m/z 0.48% 0.0517% 6334 0.9 204 74568 4011633 3858403 2-1 20: 79 67 93 95 80 91 108 121 41 55 81 94 77 107 135 87 59 264 78 66 0.808 41.26 2.7 94 96 79 94 264 15.7 0.593 0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4745 2118.0 8.4 scans 75% 205 m/z 0.23% 0.215% 6367 0.8 386 156164 16683251 15515768 3-2 20: 205 57 217 189 220 177 55 232 41 91 261 191 203 192 77 115 161 109 206 135 0.897 41.49 -78.6 85 99 90 99 276 25.7 0.445 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6676 2129.4 11.1 scans 75% 69 m/z (141) 0.078% 0.337% 6400 0.9 409 463338 26162026 24700948 3-2 20: 69 81 41 67 95 68 121 55 77 109 70 82 92 80 53 160 189 39 162 106 0.935 41.75 731.9 76 99 96 98 272 16.9 0.000 -0.082 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1258 ?? Diterpene 42.0min 41.8034 2137.0 16.1 scans 38% 119 m/z (141) 1.6% 0.0231% 6423 1.2 123 21964 0.0396% 1793904 1718731 3071264 1-0 18: 119 93 132 109 69 95 105 91 147 107 77 133 120 159 161 145 94 187 0.915 42.05 -13.6 62 70 69 69 272 7.3 0.000 -0.242 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0419 2150.4 8.2 scans 95% 74 m/z 0.011% 1.67% 6463 0.7 1071 3156932 129883786 123588406 2-2 20: 74 87 143 43 55 75 227 41 270 69 57 83 129 239 59 97 101 185 88 171 0.995 42.01 748.4 81 100 99 100 272 24.0 0.050 0.031 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3583 2168.1 7.7 scans 62% 73 m/z 0.33% 0.0463% 6517 1.0 183 108039 3593541 3284180 2-3 20: 73 281 221 147 355 429 341 207 282 503 148 222 74 356 504 283 430 415 431 284 0.899 42.37 759.1 75 98 90 98 503 28.7 2.448 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0112 2204.8 7.8 scans 80% 82 m/z (214) 0.10% 0.106% 6627 1.0 265 339124 8234688 7379316 3-3 18: 82 81 95 43 83 41 109 55 69 96 292 53 94 137 67 108 293 138 0.976 43.03 782.7 69 93 95 94 292 28.6 1.168 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN N406_R~1-N1112 Phyllocladene 43.1859 2214.6 8.7 scans 19% 187 m/z (57) 5.4% 0.00647% 6658 0.8 64 6636 502375 466633 5-0 12: 187 161 159 134 119 105 92 140 188 204 93 133 0.785 43.24 -2.8 86 94 64 92 272 14.1 4.876 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1020 ?? Icosane 43.8689 2252.9 8.6 scans 44% 127 m/z (205) 2.1% 0.0136% 6773 0.7 89 17008 1057359 905675 2-4 9: 127 169 197 267 268 281 154 86 355 0.911 43.94 -3.8 63 65 81 83 282 4.2 0.000 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8058 2364.3 7.6 scans 58% 73 m/z (57) 0.81% 0.0208% 7101 1.0 120 44534 1617247 1519762 2-2 20: 73 355 147 281 356 207 357 221 222 341 399 148 415 358 327 74 325 416 149 205 0.829 45.78 1.7 93 96 81 95 503 11.1 0.847 0.030 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1081 2381.7 8.0 scans 89% 79 m/z 0.090% 0.398% 7152 1.0 530 401887 30894189 29250983 1-5 20: 79 67 95 93 80 108 81 55 41 91 94 107 77 121 69 135 78 59 68 87 0.963 46.13 -1.5 97 96 97 99 292 35.2 0.442 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN HCMIX_~1-N1022 ? Henicosane 46.1895 2386.4 10.7 scans 17% 71 m/z (98) 2.8% 0.00646% 7166 0.9 54 12713 0.0120% 501292 392195 930686 0-5 10: 71 57 85 100 113 127 168 183 72 154 0.770 46.28 -5.3 70 78 53 73 296 4.6 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7627 2419.4 7.7 scans 67% 74 m/z (246) 0.66% 0.0273% 7263 1.0 137 54271 2123498 1983507 4-3 17: 74 87 143 75 43 55 298 41 199 69 59 101 88 267 213 97 83 0.927 46.76 924.3 75 99 94 98 298 23.4 2.911 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6913 2472.8 6.1 scans 7.9% 369 m/z (115) 17% 0.000576% 7421 1.3 22 2111 44706 44395 1-0 3: 369 223 296 0.303 44.32 1025.5 62 95 30 90 369 8.1 13.181 3.371 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9416 2544.8 7.4 scans 65% 73 m/z (267) 1.2% 0.0142% 7632 1.2 101 29379 1101986 1021997 2-3 19: 73 147 429 355 221 341 281 356 430 207 222 399 282 357 325 283 223 358 205 0.856 48.95 994.4 71 96 89 97 429 27.4 7.443 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9416 2544.8 7.4 scans 58% 73 m/z 1.1% 0.0120% 7632 1.2 95 32189 931590 863970 2-3 19: 73 147 429 355 221 341 281 356 430 207 222 399 282 357 325 283 223 358 205 0.773 51.86 913.9 73 95 73 93 503 6.9 0.000 -2.916 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6324 2872.2 9.3 scans 39% 73 m/z (71) 4.4% 0.00431% 8596 1.4 50 8220 334774 307468 5-2 13: 73 356 355 281 295 222 341 431 223 342 430 149 282 0.722 45.81 1395.7 69 96 75 94 503 6.7 0.000 8.820 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 6.0484 821.7 >23 scans 50% 77 m/z (43) 1.0% 0.0136% 366 0.8 59 38779 1201464 970105 5-2 5: 77 75 62 92 63 0.929 4.37 67.7 84 99 92 99 77 52.8 79.623 1.677 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.5195 834.0 18.8 scans 75% 207 m/z 0.40% 0.0336% 446 2.9 112 96213 2969245 2646914 2-2 20: 207 208 209 177 191 133 75 211 193 119 135 147 163 162 134 103 115 87 176 161 0.897 6.53 -142.8 80 100 89 100 207 83.1 55.258 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6258 862.8 8.3 scans 94% 55 m/z (96) 0.18% 0.207% 633 2.1 350 205608 18337837 16904642 1-3 20: 55 41 69 83 39 42 57 98 70 43 56 97 80 53 54 68 40 79 51 50 0.989 7.71 7.5 99 100 100 100 98 67.6 3.741 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2215 982.4 13.1 scans 50% 281 m/z (43) 0.37% 0.0389% 1412 2.3 126 102693 3440352 3056172 2-3 20: 281 282 283 41 265 99 191 251 73 207 133 249 284 126 250 111 125 179 177 72 0.877 12.22 36.1 90 96 84 98 281 85.9 46.211 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6589 993.8 11.2 scans 82% 81 m/z 0.35% 0.0453% 1486 2.2 148 110013 4010592 3693843 2-3 20: 81 110 53 39 79 67 41 68 51 65 77 95 82 66 50 55 54 40 111 52 0.946 13.22 30.2 95 96 92 99 110 44.3 8.915 -0.563 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1022 ?? Octanal 12.8980 1000.1 9.1 scans 48% 100 m/z (112) 9.8% 0.00428% 1527 0.9 55 3975 378672 362581 2-0 5: 100 108 95 71 110 0.844 12.96 -174.7 60 84 80 98 110 6.8 1.485 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1016 Limonene 13.8903 1026.9 8.0 scans 40% 68 m/z (78) 4.4% 0.00550% 1695 1.2 62 8789 486301 460977 2-4 7: 68 93 67 136 107 91 137 0.806 13.89 51.6 84 96 82 96 136 12.9 4.354 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.1407 1033.7 >28 scans 64% 108 m/z 1.1% 0.0390% 1738 0.9 101 33854 3450971 3238479 2-0 12: 108 77 78 109 106 53 107 63 62 92 75 65 0.896 14.11 54.7 90 99 89 99 108 46.3 21.174 0.032 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4370 1041.8 10.5 scans 74% 91 m/z 0.092% 0.116% 1787 1.8 242 420278 10270864 9516541 2-2 15: 91 92 120 65 63 39 89 62 121 93 64 75 38 61 86 0.947 14.44 57.0 91 99 93 99 120 80.8 11.096 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0031 1057.1 8.2 scans 35% 83 m/z (95) 9.7% 0.00278% 1883 1.7 43 3992 246392 212897 1-3 9: 83 70 55 69 39 57 81 93 84 0.810 18.83 4.4 74 81 74 80 122 0.0 0.000 -3.827 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1684 1061.6 13.4 scans 92% TIC 0.098% 0.193% 1911 2.3 280 395966 17136185 15743312 2-1 0.981 15.17 64.2 89 99 97 99 123 98.5 12.412 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2151 1062.8 14.4 scans 3.0% 109 m/z (105) 6.0% 0.00340% 1920 1.0 36 6432 300810 272517 2-2 5: 109 94 66 122 110 0.522 16.11 -207.4 63 92 66 96 109 20.4 31.751 -0.894 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN 98-86-2 ? Acetophenone 15.2440 1063.6 >10 scans 50% 105 m/z 0.32% 0.0307% 1924 999.0 141 120772 0.120% 2719069 2454315 10601213 0-2 5: 105 89 37 50 64 0.948 15.29 -182.1 76 96 88 96 120 35.6 6.389 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4293 1068.6 9.6 scans 59% 95 m/z 0.30% 0.0476% 1955 1.7 173 128792 4207740 3738418 2-5 18: 95 81 124 43 79 53 109 39 41 65 82 96 125 51 66 67 77 123 0.864 15.43 66.9 87 99 85 99 124 54.7 10.002 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1002 Undecane 16.6029 1100.7 8.1 scans 41% 57 m/z (128) 4.0% 0.00449% 2154 1.1 54 9608 397314 330950 12-1 19: 57 43 71 114 41 85 56 70 156 58 67 99 83 84 44 98 96 93 127 0.849 16.59 0.7 88 92 83 96 156 7.2 1.764 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1016 ? Nonanal 16.7741 1107.9 8.7 scans 59% 57 m/z 1.2% 0.0197% 2183 1.2 116 30563 1741324 1496506 6-4 18: 57 56 41 98 70 55 43 44 82 96 45 95 67 71 42 54 114 83 0.794 16.82 85.5 76 94 76 92 124 3.4 0.000 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN M4942-N1008 ? Phenylethyl Alcohol 17.3473 1132.1 10.3 scans 57% 91 m/z (140) 0.72% 0.0179% 2280 1.2 98 53720 1585297 1398592 3-4 18: 91 92 122 65 77 89 283 51 251 39 62 120 63 104 93 66 268 50 0.888 17.89 -192.1 74 98 92 99 122 32.1 10.628 -0.542 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.3473 1132.1 10.3 scans 56% 91 m/z (43) 0.75% 0.0176% 2280 1.2 98 51851 1562546 1378521 3-4 18: 91 92 122 65 77 89 283 51 251 39 62 120 63 104 93 66 268 50 0.831 17.05 106.1 74 96 91 99 122 32.7 11.226 0.295 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1065 1164.2 10.5 scans 73% 73 m/z 0.50% 0.0338% 2409 1.6 141 76598 2988181 2796599 2-2 20: 73 355 267 356 268 357 251 250 74 154 59 179 75 205 323 340 193 203 147 237 0.879 18.13 -167.5 79 99 85 98 355 61.0 18.758 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN M4942-N1002 ? Pyranone 19.1018 1206.2 14.1 scans 78% 43 m/z 0.33% 0.0894% 2577 1.1 197 116808 7898487 7165302 3-3 16: 43 101 44 144 72 55 45 73 115 42 102 71 38 74 85 66 0.924 20.04 -184.3 79 99 90 98 144 86.1 19.018 -0.940 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1319 1207.5 8.5 scans 7.1% 82 m/z (144) 2.3% 0.00521% 2582 1.8 55 16865 460609 406400 2-3 3: 82 81 124 0.692 19.12 150.4 65 93 71 96 97 9.7 3.140 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7612 1234.1 12.1 scans 27% 119 m/z (131) 3.5% 0.00382% 2689 1.2 42 10935 337879 305992 1-3 4: 119 91 134 65 0.641 13.76 34.6 71 84 64 83 134 15.9 14.441 6.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9755 1243.1 9.2 scans 48% 57 m/z 1.2% 0.0116% 2725 1.0 86 31984 1028004 900278 6-4 14: 57 45 41 75 56 89 101 72 85 73 100 60 62 61 0.759 19.81 175.6 76 99 80 97 144 0.0 0.000 0.161 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3161 1257.5 11.3 scans 24% 57 m/z (88) 6.1% 0.00390% 2783 0.8 39 6376 345374 271276 6-2 6: 57 85 43 170 98 70 0.706 20.32 -0.2 82 96 75 90 170 5.4 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5274 1263.9 8.4 scans 64% 57 m/z (45) 2.0% 0.0221% 2819 0.9 116 19298 1952551 1751241 3-4 16: 57 41 55 70 71 82 44 68 83 112 56 69 81 42 84 96 0.757 20.56 185.2 72 98 88 98 128 10.6 0.829 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1034 ? Decanal 20.5274 1263.9 8.4 scans 50% 57 m/z 1.8% 0.0155% 2819 0.9 103 21495 1377040 1235066 3-4 16: 57 41 55 70 71 82 44 68 83 112 56 69 81 42 84 96 0.775 20.57 -143.1 73 94 71 92 138 6.3 0.000 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5552 1264.8 >4 scans 16% 45 m/z (125) 10% 0.00202% 2824 999.0 38 3669 0.00571% 178838 107412 504441 0-12 1: 45 0.428 16.82 -26.6 61 78 37 75 124 1.9 0.000 3.740 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9985 1278.1 9.0 scans 43% 152 m/z (126) 1.8% 0.0192% 2898 0.9 109 21396 1704703 1508802 2-4 13: 152 109 67 91 79 77 107 53 95 65 153 138 78 0.853 21.00 192.8 67 91 75 90 155 0.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1266 Octanoic acid 21.2955 1287.0 18.2 scans 64% 60 m/z (108) 1.9% 0.0357% 2949 1.4 108 20251 3158828 2965090 2-1 15: 60 69 41 85 55 56 73 57 43 97 88 87 82 83 125 0.894 22.03 -22.1 92 96 92 98 175 0.0 0.000 -0.739 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.3775 1289.4 >13 scans 57% TIC 0.69% 0.0159% 2963 1.2 103 56055 1405888 1378066 0-1 0.950 20.98 204.4 78 97 93 99 152 0.0 0.000 0.395 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0080 1308.4 8.7 scans 16% 175 m/z (41 113) 4.2% 0.00149% 3070 1.3 32 9122 131610 123192 2-1 3: 175 176 190 0.625 22.01 208.0 63 94 63 94 190 10.2 10.388 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0015 1338.2 >9 scans 50% TIC 1.5% 0.00606% 3238 2.3 82 25833 0.0137% 535356 535356 1210305 0-0 0.853 22.91 224.6 70 93 79 92 127 12.7 2.397 0.089 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1064 ? Benzoic acid 23.1426 1342.4 20.5 scans 66% 122 m/z 0.70% 0.0391% 3263 1.6 113 55537 3455593 3231285 2-1 12: 122 77 51 38 37 50 76 132 78 52 104 47 0.902 20.03 271.7 74 95 90 95 122 58.4 26.623 3.114 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1006 ? Tridecane 23.8404 1363.4 9.1 scans 24% 57 m/z (81) 6.2% 0.00328% 3380 1.5 42 6198 290172 256335 3-3 13: 57 71 137 85 43 70 41 69 42 84 184 76 127 0.733 23.86 -0.6 75 91 77 86 184 5.5 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.1420 1373.4 7.6 scans 79% TIC 0.21% 0.0696% 3431 1.4 228 182391 6149504 5332119 7-3 0.925 24.17 -150.4 80 99 90 99 429 67.9 8.882 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1040 Nonanoic acid 24.9089 1399.0 15.6 scans 91% TIC 0.054% 0.842% 3561 0.4 576 716019 74414954 68812175 1-4 0.982 22.70 -76.3 81 94 93 99 158 39.2 0.463 2.213 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1050 ?? UNK 24.70min 25.1267 1406.2 11.8 scans 62% 43 m/z (138) 1.2% 0.0243% 3598 1.3 108 30188 2146745 1950345 2-2 19: 43 142 108 83 82 55 113 69 41 111 58 56 85 39 70 68 67 71 53 0.952 24.70 266.6 68 88 87 97 170 4.2 0.000 0.431 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1004 Nicotine 25.7920 1428.5 >22 scans 92% 133 m/z 0.0055% 11.0% 3711 0.1 1813 7047472 975827066 937347182 0-2 20: 133 161 42 92 119 118 130 82 51 78 117 65 120 91 63 39 55 106 77 132 1.000 25.89 271.5 80 99 99 99 162 550.9 9.233 -0.100 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1025 1472.2 6.8 scans 29% 221 m/z 3.2% 0.00386% 3932 1.3 60 12155 341594 331446 0-2 16: 221 73 147 281 267 222 355 148 223 205 356 282 443 283 268 191 0.856 27.12 297.3 73 95 78 93 355 11.5 3.699 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1728 1474.6 7.6 scans 65% 57 m/z (128) 0.76% 0.0222% 3944 1.2 128 50956 0.0321% 1966188 1853421 2835824 1-0 18: 57 71 43 85 41 55 56 99 70 198 126 112 98 113 42 83 72 97 0.981 27.21 -1.2 93 97 95 96 198 16.1 1.590 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1032 Myosmine 27.9438 1503.4 9.7 scans 82% 118 m/z 0.10% 0.193% 4075 1.9 326 377922 17112075 16311405 1-2 20: 118 146 145 58 105 78 51 119 104 147 42 117 41 63 65 91 77 39 64 50 0.955 27.93 316.7 80 99 95 99 146 142.4 19.074 0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3871 1520.1 8.4 scans 17% 80 m/z (145) 2.6% 0.00336% 4150 1.4 49 14584 297272 267271 3-4 5: 80 171 104 172 165 0.725 28.39 326.7 65 95 76 93 171 23.0 22.362 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6675 1530.6 7.9 scans 91% TIC 0.048% 0.344% 4198 0.9 518 806963 30433346 28081523 3-10 0.985 28.67 333.2 80 99 98 99 194 32.1 0.385 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0943 1546.7 7.6 scans 60% 71 m/z (180) 0.45% 0.0479% 4270 1.2 188 86150 0.0652% 4237321 3975348 5759992 1-0 20: 71 57 43 85 70 41 113 141 55 99 56 179 112 183 86 84 97 69 42 140 0.933 29.10 342.8 72 96 93 95 227 3.2 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5093 1562.3 8.2 scans 94% 281 m/z 0.014% 1.70% 4340 0.9 1126 2762915 150272497 143326970 2-2 20: 281 73 147 282 415 283 221 328 148 329 74 325 505 149 343 45 59 265 222 249 0.989 29.61 -150.8 80 99 97 99 503 187.5 2.776 -0.105 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1022 Nicotyrine 29.6675 1568.2 11.4 scans 77% 158 m/z 0.011% 1.42% 4367 0.5 877 3316629 126007965 115877305 3-3 20: 158 157 130 159 116 117 89 156 63 90 131 78 143 104 142 42 62 50 76 64 0.926 29.68 355.6 80 100 92 100 158 488.0 30.948 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1038 5,6-Epoxy-?-ionone 29.7655 1571.9 7.5 scans 60% 123 m/z 0.10% 0.0646% 4384 1.0 232 377009 5712616 5199041 1-6 13: 123 135 124 91 107 95 79 109 77 67 81 53 125 0.915 29.77 357.9 80 100 92 99 193 19.1 0.675 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9403 1578.5 >8 scans 75% TIC 0.28% 0.0616% 4413 0.6 231 137822 5444090 4834703 1-1 0.959 29.94 362.1 75 96 94 97 254 5.9 0.066 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1010 Pentadecane 30.1687 1587.1 7.6 scans 39% 57 m/z (157) 1.1% 0.0218% 4452 1.3 126 35281 0.0319% 1926259 1731443 2818156 1-0 20: 57 71 85 43 113 99 41 55 155 70 56 84 127 183 112 141 98 69 83 178 0.914 30.38 -7.8 80 84 92 83 212 0.0 0.000 -0.208 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5022 1600.2 7.9 scans 73% 191 m/z 0.070% 0.108% 4508 1.0 292 554300 9568716 8828777 2-4 19: 191 206 192 57 74 163 175 91 115 41 107 207 73 77 88 128 147 161 105 0.950 30.50 375.4 79 99 93 98 206 79.5 7.406 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N406_R~1-N1098 ? Olivetol 30.8169 1613.4 8.5 scans 36% 124 m/z (71) 0.98% 0.0210% 4562 1.0 119 39479 1855663 1702761 2-3 6: 124 137 180 125 168 138 0.942 30.81 384.0 70 92 84 95 180 29.2 6.065 0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8712 1615.7 9.4 scans 74% 162 m/z (171) 0.19% 0.109% 4571 1.2 259 196121 9700441 9027412 2-3 20: 162 147 161 105 148 163 77 106 133 58 51 119 115 79 131 103 65 104 63 78 0.970 30.88 -0.3 87 89 85 90 204 4.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9249 1617.9 8.9 scans 34% 171 m/z (162) 0.74% 0.0191% 4580 1.2 111 52604 1687553 1540914 3-5 8: 171 172 173 156 130 94 170 142 0.781 30.93 -0.1 94 96 83 99 171 61.5 30.737 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2012 1629.5 9.2 scans 74% 111 m/z 0.091% 0.225% 4627 0.7 392 425799 19955610 18621531 2-2 20: 111 109 137 43 67 180 110 124 95 152 79 81 77 39 112 69 53 341 93 91 0.951 31.18 394.5 78 98 95 98 180 84.6 4.664 0.023 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2012 1629.5 9.2 scans 80% 111 m/z (58) 0.090% 0.262% 4627 0.7 408 430325 23227653 21674830 2-2 20: 111 109 137 43 67 180 110 124 95 152 79 81 77 39 112 69 53 341 93 91 0.962 31.20 394.1 75 98 96 99 180 85.2 4.355 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5035 1642.2 8.9 scans 67% 43 m/z (186) 0.39% 0.0491% 4679 1.2 179 99604 4338609 3990360 2-1 19: 43 98 55 151 127 82 85 71 67 41 83 68 69 107 81 123 99 39 59 0.972 31.52 -0.5 97 99 98 100 166 35.0 3.807 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6310 1647.6 7.6 scans 40% 71 m/z (129) 1.3% 0.0157% 4700 1.3 109 27955 1394014 1382780 0-2 17: 71 57 85 43 99 113 197 127 55 56 281 169 41 84 207 342 126 0.765 31.63 -0.1 75 96 77 88 429 10.2 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9167 1659.6 8.8 scans 38% 57 m/z (210) 1.7% 0.0205% 4748 0.6 110 21740 1811678 1593942 2-2 18: 57 71 85 82 55 43 41 113 69 99 87 70 112 111 86 127 45 141 0.833 31.92 -0.1 75 83 80 87 219 6.8 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0714 1666.1 7.0 scans 18% 221 m/z 1.5% 0.00683% 4774 1.2 78 24526 604020 554732 2-1 14: 221 73 147 295 297 207 223 341 296 168 267 355 325 342 0.642 32.08 -0.3 94 98 74 96 355 14.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1202 ? Hydrocarbon 32.3min RI1673 32.2331 1672.9 8.2 scans 64% 57 m/z (132) 0.57% 0.0445% 4802 1.1 167 67569 3935644 3382864 1-5 20: 57 149 105 71 43 85 77 41 100 123 99 56 183 51 113 182 55 42 70 58 0.957 32.24 -0.2 74 77 83 83 226 5.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4362 1681.4 9.5 scans 49% 57 m/z (69) 1.0% 0.0267% 4836 1.1 129 38575 2366282 2188394 1-2 20: 57 85 71 197 56 43 41 196 55 169 113 160 109 67 70 84 127 83 125 141 0.913 32.44 -0.3 91 97 91 96 226 4.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5613 1686.7 >13 scans 38% 71 m/z (69 159) 1.9% 0.0113% 4857 1.4 90 20078 998412 929013 0-1 9: 71 85 99 113 169 155 127 86 100 0.928 24.54 549.4 69 96 94 97 169 11.7 1.670 8.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6717 1691.3 8.2 scans 73% 205 m/z (188) 1.1% 0.0759% 4876 1.1 228 33455 6707575 5972340 2-9 18: 205 91 119 105 93 43 159 79 107 162 147 187 81 135 131 145 106 146 0.980 32.67 -0.2 94 96 93 98 220 13.3 0.343 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8895 1700.5 >9 scans 27% TIC 2.4% 0.00895% 4913 0.2 106 16163 0.0246% 791258 743912 2173249 1-0 0.666 32.87 1.0 71 82 65 84 186 8.0 0.575 0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9279 1702.1 17.5 scans 62% TIC 0.20% 0.0348% 4919 0.9 175 194114 0.0554% 3077382 3001239 4894227 0-1 0.946 32.93 -0.2 94 94 85 99 243 24.9 2.022 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0849 1708.7 8.4 scans 27% TIC 3.6% 0.00448% 4946 1.3 83 10542 396310 342903 7-1 0.699 33.09 -0.0 80 89 71 91 224 5.5 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3051 1717.9 7.5 scans 68% 57 m/z (167) 0.37% 0.0512% 4984 0.7 190 103754 4529324 4105796 2-2 16: 57 71 43 85 41 55 99 56 70 113 226 84 112 42 98 72 0.956 33.37 -2.9 90 94 95 97 226 21.4 1.265 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8925 1728.2 7.4 scans 43% 71 m/z (232) 1.4% 0.0147% 5083 1.0 109 26389 0.0155% 1298831 1217166 1369323 6-1 17: 71 43 57 85 70 197 55 41 99 127 196 168 113 86 56 211 198 0.878 33.90 -0.1 89 97 92 98 197 18.7 2.955 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2751 1733.7 9.2 scans 22% 57 m/z (59) 1.7% 0.0102% 5147 0.9 83 21736 902374 886030 0-1 16: 57 85 43 210 98 211 182 41 113 128 69 96 196 141 169 202 0.843 34.27 0.1 86 95 87 94 211 15.6 3.505 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4114 1735.7 8.4 scans 94% 355 m/z 0.011% 2.07% 5171 0.7 1233 3301894 183451677 170948434 2-2 20: 355 73 281 356 401 222 282 402 415 327 267 283 74 358 385 416 417 341 191 328 0.993 34.39 452.7 81 100 99 100 415 149.2 1.465 0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7945 1741.1 13.6 scans 90% 91 m/z 0.027% 0.784% 5236 0.3 602 1400867 69320960 65284940 1-2 20: 91 155 199 90 65 184 92 89 44 120 63 137 106 39 77 156 51 200 134 154 0.988 34.79 452.1 81 100 98 100 199 167.2 7.717 0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9085 1742.8 12.4 scans 36% 69 m/z (71 140) 1.2% 0.0357% 5255 1.5 134 31760 3156717 2960288 1-1 18: 69 83 97 55 41 111 82 123 67 95 224 56 84 54 98 66 125 70 0.847 34.90 0.1 83 90 91 98 224 14.7 1.200 0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1042 ?? Phytol 35.3500 1749.1 9.1 scans 33% 55 m/z (195) 1.7% 0.0341% 5329 0.9 142 22058 3012993 2631469 4-1 20: 55 69 70 81 41 56 95 126 111 83 82 96 137 67 109 196 112 97 68 98 0.707 35.35 451.7 61 92 63 94 196 20.6 2.106 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6871 1753.9 8.8 scans 50% 123 m/z (71) 0.32% 0.0517% 5387 1.1 182 119913 4569568 4066839 2-3 17: 123 193 124 210 109 175 125 121 95 79 77 91 181 194 208 131 149 0.932 35.70 451.2 73 95 87 96 224 13.6 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9268 1757.3 16.7 scans 52% TIC 0.32% 0.0545% 5427 1.3 222 121545 0.0764% 4819820 4443828 6749439 1-0 0.782 35.94 450.9 72 95 75 94 238 2.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1186 ?? Cotinine 36.1989 1761.2 >17 scans 30% 90 m/z (71) 0.59% 0.0301% 5472 1.6 116 65585 0.0334% 2665213 2529070 2950671 0-2 4: 90 115 175 63 0.907 36.19 -88.6 69 90 78 92 176 43.0 13.838 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1948 1775.5 8.1 scans 18% 209 m/z (57) 1.3% 0.0110% 5642 1.2 88 27841 976489 899062 3-0 13: 209 224 181 210 167 211 165 225 178 194 179 89 103 0.798 37.20 449.2 66 89 77 97 224 27.4 9.596 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1016 ? Octadecane 37.3035 1777.0 9.8 scans 59% 71 m/z (150) 0.53% 0.0647% 5661 0.9 188 73271 0.0895% 5717130 5197658 7906738 0-2 20: 71 85 57 43 99 113 84 55 69 41 127 70 169 56 155 111 211 83 125 42 0.947 38.91 -23.0 79 85 93 84 254 2.9 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0597 1787.8 8.6 scans 56% TIC 0.42% 0.0328% 5789 1.1 180 91316 2898739 2769208 1-1 0.877 38.06 448.1 76 97 87 96 225 33.5 3.480 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.6181 1795.8 8.5 scans 87% 73 m/z 0.054% 0.350% 5883 1.1 496 711317 30923280 29104878 2-2 20: 73 429 147 221 355 430 341 207 431 74 222 401 357 148 342 267 295 223 432 459 0.973 38.59 447.7 80 100 97 100 429 141.0 8.084 0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4717 1869.6 12.7 scans 29% 41 m/z (91) 2.2% 0.0159% 6028 1.1 85 17309 1412429 1292894 1-1 20: 41 256 143 228 211 43 229 129 213 214 59 71 102 161 42 75 83 115 86 44 0.828 39.45 508.1 67 95 74 97 256 10.6 0.000 0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9021 1923.0 >13 scans 68% 263 m/z 0.015% 2.93% 6101 0.2 1463 2451167 259378633 259378633 0-0 13: 263 278 236 244 243 196 280 213 224 62 144 184 251 0.997 39.94 553.9 80 99 99 99 278 97.7 0.446 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4115 1986.2 7.7 scans 41% 149 m/z (81) 0.12% 0.0499% 6187 0.9 195 309422 4413536 4217731 1-2 10: 149 150 104 223 76 167 205 132 178 50 0.950 40.31 611.3 73 95 92 98 223 39.3 4.054 0.107 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N406_R~1-N1110 Phytol 40.4535 1991.4 6.9 scans 71% 81 m/z (89) 0.26% 0.156% 6194 0.9 358 148321 0.176% 13838441 12607179 15548445 10-3 17: 81 82 95 68 123 69 43 79 83 55 67 109 96 124 97 110 278 0.993 40.66 -25.8 93 96 98 97 278 37.4 1.091 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6235 2012.4 7.0 scans 16% 221 m/z 2.1% 0.00591% 6223 0.8 73 17921 522270 492581 2-6 11: 221 73 295 147 207 356 370 222 371 297 265 0.740 40.63 632.3 67 94 75 92 369 13.4 3.366 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1254 Phytol 40.8879 2045.2 8.2 scans 81% 81 m/z (170) 0.25% 0.198% 6268 1.3 369 152598 17560167 15693006 2-4 19: 81 82 95 68 123 57 43 79 69 71 67 83 41 55 96 109 124 278 111 0.992 40.87 2.5 97 99 99 100 278 45.5 1.524 0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BQLD_R~1-N1056 ? Homosalate 41.0662 2067.3 11.5 scans 41% TIC 0.68% 0.0314% 6298 1.3 162 57160 0.0371% 2782180 2606923 3277542 1-0 0.850 41.00 681.5 75 97 89 96 262 20.8 1.649 0.065 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2622 2091.6 9.3 scans 11% TIC 1.7% 0.00582% 6331 1.3 77 21653 514838 488009 1-1 0.199 41.26 0.6 80 91 21 84 264 9.3 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4606 2116.2 7.9 scans 56% 205 m/z 0.60% 0.0673% 6365 0.8 230 64911 5952232 5617817 2-2 16: 205 217 175 189 220 177 261 91 233 191 203 135 77 206 115 161 0.791 41.49 -80.4 83 99 81 98 276 16.6 0.522 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1258 ? Diterpene 42.0min 41.6725 2129.6 9.4 scans 16% 133 m/z (43) 0.39% 0.0612% 6400 0.6 192 99849 5414046 5079360 2-2 16: 133 120 132 147 187 159 146 148 188 78 203 134 160 243 131 163 0.454 42.05 -21.0 70 79 46 73 272 13.6 0.000 -0.373 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6725 2129.6 9.4 scans 57% 133 m/z (71) 0.10% 0.216% 6400 0.6 361 368690 19140162 17956954 2-2 16: 133 120 132 147 187 159 146 148 188 78 203 134 160 243 131 163 0.891 41.75 732.1 72 97 95 97 272 12.1 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0231 2149.3 7.7 scans 89% 74 m/z 0.028% 0.576% 6460 0.9 681 1371907 50963460 47709207 2-2 20: 74 87 43 143 55 75 41 227 270 69 57 83 129 59 239 97 101 185 171 199 0.972 42.01 747.3 80 100 97 99 272 15.7 0.053 0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3573 2168.1 7.7 scans 57% 73 m/z (175) 0.45% 0.0363% 6517 1.1 167 85588 3206943 3081949 2-4 20: 73 147 281 221 355 429 503 207 341 504 430 148 415 74 283 327 267 505 265 431 0.888 42.37 759.1 73 97 93 98 503 27.7 2.751 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0078 2204.6 8.1 scans 72% 82 m/z (277) 0.11% 0.0969% 6627 1.0 263 349218 8566279 7856421 2-3 16: 82 81 95 43 83 41 109 96 94 53 137 67 107 292 135 79 0.958 43.03 782.5 68 91 93 93 292 32.9 1.571 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN N406_R~1-N1112 Phyllocladene 43.1843 2214.5 8.9 scans 5.3% 99 m/z (57) 7.3% 0.00216% 6656 0.8 38 5320 190835 178477 1-1 20: 99 187 132 272 189 128 159 105 106 162 175 160 131 163 93 65 115 133 257 94 0.430 43.24 -2.9 84 97 44 93 272 12.7 11.132 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1252 ?? Contamination 43.31min 43.2799 2219.9 11.0 scans 12% 278 m/z (172) 2.8% 0.00418% 6673 2.0 46 13750 369805 357884 1-0 11: 278 263 159 147 153 203 241 142 143 189 188 0.488 43.31 -1.5 67 76 26 73 278 15.1 11.003 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1020 ?? Icosane 43.8585 2252.3 8.5 scans 46% 71 m/z (205) 1.3% 0.0198% 6771 1.1 114 28134 1755128 1551939 1-3 18: 71 85 57 127 43 99 126 69 113 169 70 239 141 267 84 155 97 86 0.891 43.94 -4.4 68 84 85 81 282 5.8 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3071 2278.1 6.9 scans 10% 221 m/z 4.6% 0.00157% 6847 0.9 38 8415 138798 129039 3-9 8: 221 147 295 370 296 369 222 356 0.490 44.32 830.8 63 94 43 89 369 10.3 7.245 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8054 2364.3 7.5 scans 33% 73 m/z 1.3% 0.0103% 7101 1.0 91 28604 912470 845206 1-3 17: 73 355 147 221 281 357 207 148 295 415 283 431 358 191 503 402 430 0.768 45.78 1.7 93 95 73 93 503 9.4 1.072 0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1023 2381.4 8.0 scans 80% 79 m/z 0.23% 0.133% 7151 1.1 322 163000 11757151 10933960 2-6 20: 79 67 95 93 108 80 81 55 41 91 94 107 77 121 135 109 69 59 78 149 0.938 46.13 -1.8 97 99 94 98 292 22.5 0.488 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN HCMIX_~1-N1022 Henicosane 46.1844 2386.1 8.5 scans 35% 57 m/z (180) 1.9% 0.00983% 7165 1.6 78 19930 868931 748173 1-3 17: 57 71 85 43 99 70 169 72 113 182 125 56 127 86 141 210 197 0.891 46.28 -5.6 80 87 77 83 296 6.6 0.000 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7641 2419.5 7.8 scans 46% 74 m/z (99) 1.4% 0.0115% 7263 1.0 92 27800 1021188 938844 3-5 9: 74 87 143 75 255 88 267 59 241 0.895 46.76 924.4 73 97 87 96 298 17.2 3.525 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5049 2462.1 8.0 scans 61% 138 m/z 0.70% 0.0237% 7389 1.0 138 54999 2094571 1899403 2-8 18: 138 120 121 57 71 43 139 111 55 70 41 69 65 56 92 168 93 306 0.831 47.50 949.3 78 98 83 97 168 17.8 1.646 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9442 2544.9 7.9 scans 48% TIC 1.9% 0.00560% 7633 1.2 73 19857 494712 468287 1-2 0.755 48.95 994.5 73 97 73 97 429 21.3 8.390 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BMN_RE~1-N1022 ?? Contamination 51.86min 51.8574 2712.5 8.1 scans 32% 73 m/z 2.7% 0.00403% 8126 1.3 55 13945 356025 319216 7-4 19: 73 147 222 221 429 355 148 295 207 430 504 281 282 431 357 356 74 75 205 0.586 51.86 1081.6 69 93 55 89 503 10.3 3.549 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP2.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6356 2872.4 9.7 scans 33% 73 m/z (43) 5.7% 0.00317% 8597 1.2 43 6786 280290 258358 2-3 13: 73 221 355 222 281 295 429 430 431 282 356 147 148 0.644 45.81 1395.9 66 94 66 91 503 7.1 2.653 8.824 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1002 ? Contamination 4.37min 6.2829 827.8 >30 scans 26% 77 m/z (76) 2.0% 0.00858% 405 0.8 39 19294 696632 653608 0-2 2: 77 79 0.958 4.37 73.8 78 96 88 96 77 35.5 82.910 1.912 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1014 Contamination 6.52min 6.5279 834.2 20.1 scans 69% 207 m/z 0.43% 0.0335% 447 2.8 102 90303 2723258 2472990 1-2 18: 207 208 209 96 191 103 133 192 119 147 161 134 115 179 163 82 210 178 0.863 6.53 -142.6 80 100 88 99 207 76.9 56.732 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6371 863.1 8.4 scans 93% 55 m/z 0.068% 0.586% 635 1.5 553 564743 47624831 41097764 2-4 20: 55 69 41 83 39 42 57 98 70 97 43 56 80 53 54 40 79 68 51 50 0.989 7.71 7.8 100 100 100 100 98 107.1 3.755 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.3751 986.4 >14 scans 38% 282 m/z 1.4% 0.00769% 1438 17.2 55 26902 624637 502690 2-1 3: 282 250 111 0.710 12.22 40.1 91 99 69 97 281 42.0 58.863 0.155 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6590 993.8 10.5 scans 74% TIC 0.40% 0.0375% 1486 2.2 126 95576 3046033 2764969 2-1 0.868 13.22 30.2 93 95 84 97 110 39.2 9.682 -0.563 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1016 ? Limonene 13.8881 1026.9 8.7 scans 15% 93 m/z 5.1% 0.00237% 1695 1.4 39 7503 192825 173864 1-1 11: 93 68 67 125 82 136 121 54 92 91 126 0.336 13.89 51.6 79 93 45 89 136 11.7 9.177 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.1473 1033.9 28.1 scans 38% TIC 1.7% 0.0114% 1738 1.7 69 21846 930428 930428 0-0 0.752 14.11 54.9 89 99 71 97 108 35.8 26.604 0.038 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4401 1041.8 9.9 scans 85% 91 m/z 0.059% 0.190% 1788 1.4 297 652204 15457702 13716953 2-4 20: 91 92 120 65 63 39 89 51 62 121 50 90 93 64 38 66 52 61 86 74 0.982 14.44 57.0 91 99 98 100 120 96.7 10.630 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0080 1057.2 7.5 scans 29% 83 m/z (82) 11% 0.00226% 1884 1.1 37 3431 183488 167337 2-2 13: 83 70 69 41 55 84 39 42 54 50 81 98 53 0.739 18.83 4.5 74 91 66 87 122 0.0 0.000 -3.822 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1508 1061.1 >20 scans 98% 62 m/z 0.12% 0.148% 1908 1.2 235 305433 12059111 10421179 3-1 11: 62 125 38 53 67 265 93 104 95 87 85 0.964 15.17 63.7 90 100 97 100 123 82.5 12.383 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4247 1068.5 9.2 scans 74% 95 m/z 0.24% 0.0700% 1955 1.3 199 158192 5684000 5257901 1-2 20: 95 81 124 43 79 53 109 39 41 82 96 77 55 51 67 63 125 50 52 80 0.943 15.43 66.8 86 98 91 99 124 58.8 8.783 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1002 Undecane 16.6036 1100.7 >10 scans 41% TIC 4.1% 0.00340% 2154 1.2 51 9378 276146 249589 2-0 0.675 16.59 0.7 85 94 77 94 156 7.0 1.867 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7736 1107.9 8.3 scans 74% 57 m/z (121) 1.0% 0.0329% 2183 1.2 138 35805 2672374 2427054 4-4 17: 57 41 56 98 55 70 82 44 69 68 96 95 67 72 42 71 114 0.981 16.82 85.5 78 96 97 97 124 7.2 0.271 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9661 1116.0 9.6 scans 38% 71 m/z (81) 1.4% 0.0181% 2215 1.5 93 26762 1472680 1408846 1-3 9: 71 95 110 43 128 58 113 57 70 0.705 16.97 91.3 73 95 88 98 128 22.2 5.677 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.4053 1134.6 10.9 scans 47% 91 m/z 0.92% 0.0113% 2290 1.0 75 41989 922650 839524 2-4 14: 91 92 122 123 65 63 51 120 77 78 104 62 89 64 0.832 17.05 108.6 76 97 82 96 122 28.4 14.307 0.353 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1012 ? Nicotine 17.6491 1144.9 8.6 scans 3.5% 104 m/z 19% 0.000213% 2331 0.3 11 1950 0.000294% 17295 17295 23870 0-0 2: 104 133 0.249 25.78 -10.4 75 100 100 100 162 0.0 0.000 -8.129 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1137 1164.5 11.6 scans 69% 73 m/z 0.64% 0.0307% 2410 1.5 120 60138 2500434 2331919 2-2 19: 73 355 267 356 268 269 357 251 74 340 191 165 271 339 75 323 253 207 250 0.870 18.13 -167.2 78 99 84 98 355 53.5 19.802 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.6993 1189.2 8.1 scans 38% 111 m/z (53) 7.4% 0.00423% 2510 1.2 50 5189 344062 322878 1-2 12: 111 69 98 55 82 67 41 100 71 39 97 125 0.775 18.71 138.4 68 97 79 95 153 1.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.7719 1192.3 10.6 scans 6.5% 113 m/z 12% 0.000440% 2521 1.5 16 3109 0.000531% 35702 35448 43112 0-1 4: 113 282 283 281 0.447 12.25 39.2 68 92 49 90 281 14.3 77.760 6.521 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1326 1207.5 >14 scans 12% 82 m/z (144) 2.4% 0.00678% 2583 1.3 58 15972 551018 506654 1-5 1: 82 0.627 19.12 150.4 61 86 67 96 97 10.7 3.374 0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN M4942-N1002 Pyranone 19.2076 1210.7 17.1 scans 87% TIC 0.16% 0.251% 2595 1.0 280 231210 20392056 18610123 2-2 0.948 20.04 -179.8 80 99 94 99 144 122.2 19.050 -0.834 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1024 ?? p-Cymene 19.7648 1234.2 12.4 scans 20% 134 m/z (128) 3.7% 0.00412% 2690 0.9 38 10337 334884 293985 0-2 6: 134 119 65 90 50 107 0.724 13.76 34.7 68 81 62 80 134 14.5 14.167 6.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 20.0033 1244.3 9.1 scans 79% 57 m/z 0.30% 0.0656% 2730 1.0 190 125553 5326948 4761606 5-3 20: 57 45 41 75 87 56 89 100 101 72 59 43 85 73 62 71 55 58 60 44 0.942 19.81 176.8 73 91 93 100 144 4.6 0.000 0.189 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1004 ? Dodecane 20.3156 1257.5 10.2 scans 15% 71 m/z (139) 8.6% 0.00173% 2783 1.4 29 4478 140789 126835 2-1 5: 71 57 85 56 140 0.641 20.32 -0.2 72 88 59 82 170 5.2 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1034 ?? Decanal 20.5234 1263.8 8.2 scans 66% 68 m/z (101) 2.4% 0.0205% 2818 1.5 107 16101 1667159 1538170 7-4 12: 68 57 82 71 70 84 44 83 81 112 96 54 0.965 20.57 -143.2 69 91 92 98 138 5.1 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5252 1263.9 8.8 scans 52% TIC 2.2% 0.0135% 2818 1.2 94 16959 1098431 940210 4-2 0.804 20.56 185.2 76 98 80 97 128 9.2 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 20.7719 1271.3 8.3 scans 23% 57 m/z (148) 7.4% 0.00223% 2860 1.1 35 5203 181061 144667 4-3 9: 57 71 122 70 119 150 85 112 121 0.656 33.32 4.3 60 67 73 78 226 0.0 0.000 -12.547 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9945 1277.9 8.9 scans 65% 137 m/z 1.1% 0.0285% 2898 1.2 130 34572 2316700 2142640 2-3 18: 137 152 123 109 81 67 91 79 41 95 119 93 77 89 107 39 53 51 0.849 21.00 192.6 69 90 72 89 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.4372 1291.2 9.6 scans 60% 94 m/z 0.49% 0.0209% 2973 1.1 106 78687 1702299 1584633 3-3 13: 94 138 77 95 66 51 65 107 79 50 78 64 38 0.880 20.98 206.2 78 98 85 98 152 0.0 0.000 0.454 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1266 ? Octanoic acid 21.6261 1296.9 15.4 scans 37% 115 m/z (133) 3.9% 0.0147% 3005 1.1 71 9900 1193802 1151941 1-1 18: 115 55 73 85 53 43 148 79 110 78 105 88 93 80 65 54 125 51 0.666 22.03 -12.2 71 77 68 92 175 0.0 0.000 -0.408 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N407_R~1-N1110 ? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0081 1308.4 7.8 scans 30% 175 m/z (85) 2.2% 0.00312% 3070 1.0 43 16986 253551 231380 2-4 3: 175 190 159 0.757 22.01 208.0 72 97 72 96 190 13.6 9.922 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0335 1339.1 >13 scans 60% TIC 1.1% 0.0155% 3243 1.1 95 32556 0.0299% 1263024 1205810 2427587 0-2 0.897 22.91 225.5 72 94 87 93 127 13.7 2.090 0.120 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1064 ? Benzoic acid 23.6038 1356.2 17.2 scans 46% 77 m/z (85) 2.1% 0.0135% 3339 1.1 63 18411 1103448 1011230 3-1 4: 77 50 51 78 0.911 20.03 285.5 73 96 90 96 122 32.6 26.454 3.575 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1522 1373.7 7.3 scans 76% 73 m/z 0.21% 0.0729% 3433 1.1 225 178167 5922677 5444838 2-2 20: 73 341 429 342 325 147 343 431 430 326 74 207 327 344 432 75 251 148 45 59 0.913 24.17 -150.1 80 99 91 99 429 69.1 9.452 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1006 ? Tridecane 24.6138 1389.1 9.7 scans 47% 71 m/z (137) 2.3% 0.0107% 3511 1.0 74 16261 876012 826369 1-2 11: 71 57 85 84 99 58 70 127 56 128 169 0.838 23.86 25.1 74 85 87 83 184 0.0 0.000 0.752 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.6138 1389.1 9.7 scans 46% 71 m/z (124 137) 2.2% 0.0104% 3511 1.0 73 16915 851715 803448 1-2 11: 71 57 85 84 99 58 70 127 56 128 169 0.911 24.54 251.8 71 98 92 96 169 9.3 0.000 0.072 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1040 Nonanoic acid 25.1363 1406.6 11.2 scans 83% 60 m/z (58) 0.28% 0.129% 3599 1.3 233 138430 10518645 9862495 2-3 16: 60 73 57 115 55 41 129 98 87 61 45 39 101 42 96 84 0.977 22.70 -68.7 82 95 94 99 158 16.5 0.498 2.440 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1004 Nicotine 25.8269 1429.6 >3 scans 93% TIC 0.0047% 1.95% 3717 0.9 1780 8142454 12.2% 158927180 148986864 990520632 0-2 0.992 25.89 272.6 80 100 99 100 162 547.4 9.454 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1020 1472.2 6.6 scans 35% 221 m/z 1.8% 0.00724% 3933 0.8 75 20598 588042 547512 1-2 20: 221 147 73 281 222 355 223 267 148 356 268 282 205 149 74 224 339 269 131 249 0.822 27.12 297.3 74 96 79 94 355 15.7 4.370 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1741 1474.6 7.6 scans 64% 57 m/z (80) 0.67% 0.0280% 3945 1.0 134 57481 0.0399% 2277182 2182482 3239490 1-0 17: 57 71 43 85 41 56 55 99 70 141 69 112 113 127 126 83 155 0.944 27.21 -1.2 94 98 94 98 198 16.6 0.000 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1032 Myosmine 27.9391 1503.2 10.8 scans 83% 118 m/z 0.086% 0.248% 4074 1.4 346 451375 20174665 18414606 2-4 20: 118 146 145 58 105 78 51 119 104 147 117 91 41 63 39 77 42 65 50 64 0.980 27.93 316.5 80 99 97 99 146 149.9 18.800 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3966 1520.4 8.9 scans 22% 80 m/z (173) 1.5% 0.00672% 4152 1.0 60 24524 545713 484058 3-3 7: 80 171 104 53 172 168 167 0.839 28.39 327.0 70 95 78 94 171 28.7 23.207 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1034 Dihydropseudoionone 28.6753 1530.9 8.3 scans 91% 43 m/z 0.035% 0.533% 4199 0.8 582 1080519 43322221 41290313 2-2 20: 43 69 41 151 136 107 125 67 93 109 83 121 53 68 39 55 108 79 91 77 0.990 28.67 333.5 80 99 99 99 194 37.3 0.410 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0956 1546.7 7.7 scans 67% 71 m/z (166) 0.36% 0.0657% 4270 1.2 203 106031 0.0893% 5339665 5101743 7250286 1-0 20: 71 57 43 85 41 70 141 55 56 113 99 112 97 179 84 183 69 42 127 140 0.973 29.10 342.8 70 93 94 94 227 4.0 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1010 Contamination 29.61min 29.5106 1562.3 8.1 scans 91% 73 m/z 0.021% 1.14% 4340 0.8 846 1774402 92796601 87018051 2-2 20: 73 281 147 327 415 341 503 283 399 328 504 329 325 417 207 383 400 401 385 59 0.985 29.61 -150.8 80 99 96 99 503 144.9 2.938 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1022 Nicotyrine 29.6653 1568.1 11.8 scans 71% 158 m/z 0.012% 1.42% 4367 0.5 800 3143878 115909232 109265087 2-2 20: 158 157 159 116 117 89 63 90 131 104 78 143 142 103 51 42 62 129 76 64 0.905 29.68 355.5 80 99 89 99 158 453.7 32.169 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7704 1572.1 7.8 scans 69% 123 m/z (85) 0.077% 0.116% 4385 1.0 267 502256 9459435 8622136 0-4 16: 123 43 135 124 107 91 95 79 109 77 81 53 67 39 97 125 0.982 29.77 358.1 78 99 99 100 193 21.4 0.641 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.8087 1573.5 9.2 scans 41% 85 m/z (123 161) 0.82% 0.0373% 4391 0.8 139 46863 3035896 2724654 2-1 18: 85 57 71 99 127 84 183 113 104 141 56 72 182 86 184 126 155 100 0.967 30.38 -21.4 73 77 89 79 212 0.0 0.000 -0.568 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9404 1578.5 8.6 scans 70% 71 m/z (128) 0.26% 0.109% 4413 0.9 235 149333 8870565 8251873 1-2 20: 71 85 57 43 99 113 127 55 41 69 84 155 56 83 169 112 58 72 86 42 0.967 29.94 362.1 76 98 98 99 254 6.8 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5053 1600.3 8.2 scans 70% 191 m/z 0.048% 0.160% 4509 1.0 317 798473 13022450 12043289 2-4 16: 191 206 192 57 163 74 175 41 115 207 73 161 147 128 60 117 0.897 30.50 375.5 79 98 84 98 206 91.5 8.364 0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1098 ? Olivetol 30.8235 1613.7 8.7 scans 23% 124 m/z 0.79% 0.0149% 4563 0.9 96 49004 1213868 1158653 2-2 8: 124 137 180 125 138 54 110 181 0.711 30.81 384.3 71 92 60 91 180 31.6 10.905 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8725 1615.7 10.1 scans 72% 162 m/z (69) 0.24% 0.105% 4571 1.4 223 157300 8535379 7771141 3-3 14: 162 147 161 148 163 51 145 106 133 115 74 50 176 77 0.972 30.88 -0.3 88 90 85 91 204 11.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9191 1617.7 9.3 scans 23% 171 m/z (162) 0.68% 0.0200% 4579 1.4 100 57146 1629556 1488860 2-8 9: 171 172 156 130 170 173 142 181 174 0.749 30.93 -0.3 96 100 93 100 171 61.2 37.276 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2072 1629.8 9.6 scans 70% 111 m/z 0.083% 0.263% 4628 0.7 376 466824 21424452 19717893 3-2 20: 111 109 137 180 43 67 110 124 95 152 41 79 81 77 39 112 73 69 53 93 0.864 31.18 394.8 76 97 87 98 180 86.6 5.310 0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2072 1629.8 9.6 scans 79% 111 m/z (71) 0.082% 0.317% 4628 0.7 398 468622 25766834 23714384 3-2 20: 111 109 137 180 43 67 110 124 95 152 41 79 81 77 39 112 73 69 53 93 0.933 31.20 394.4 73 98 92 97 180 87.4 4.820 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5089 1642.5 8.7 scans 49% 43 m/z (105) 0.87% 0.0244% 4679 1.1 118 44584 1983805 1841042 1-1 18: 43 55 98 111 85 41 127 151 68 82 126 83 123 67 81 183 107 58 0.923 31.52 -0.2 92 97 93 96 166 22.1 3.513 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6317 1647.6 7.6 scans 42% 71 m/z (281) 1.4% 0.0188% 4699 1.6 107 27568 1528215 1461455 1-1 20: 71 85 57 43 111 99 113 70 55 125 41 56 127 97 155 112 84 429 153 72 0.738 31.63 -0.1 67 87 74 84 429 11.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7857 1654.1 9.0 scans 12% 194 m/z (149) 2.1% 0.00435% 4726 1.3 48 18130 353298 318590 1-4 3: 194 151 208 0.475 31.80 -0.4 65 81 34 81 208 12.3 6.613 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9180 1659.7 7.8 scans 34% 71 m/z (143) 1.8% 0.0145% 4749 0.7 92 20574 1182715 1094196 1-1 14: 71 57 85 83 55 82 70 99 155 111 56 210 112 141 0.911 31.92 -0.0 75 85 83 86 219 4.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0691 1666.0 6.8 scans 23% 221 m/z 1.2% 0.0105% 4774 1.0 89 31856 857694 806816 3-1 15: 221 73 147 295 207 222 341 355 223 281 267 167 74 325 342 0.618 32.08 -0.4 95 99 79 97 355 16.7 3.507 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2302 1672.8 8.5 scans 53% 57 m/z (158) 0.85% 0.0330% 4801 1.8 128 45321 2679706 2506331 1-1 18: 57 71 43 85 41 99 183 113 149 56 105 55 97 77 42 121 112 211 0.921 32.24 -0.3 84 88 90 96 226 5.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4351 1681.4 10.6 scans 28% 57 m/z 1.3% 0.0117% 4836 1.1 87 28324 957714 889687 1-1 18: 57 85 43 71 197 56 160 165 41 109 99 113 198 131 104 108 127 111 0.625 32.44 -0.3 84 89 60 85 226 2.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6665 1691.1 9.0 scans 47% 147 m/z (94) 2.9% 0.0288% 4876 1.1 125 13234 2342353 2231289 3-1 18: 147 119 105 159 79 107 106 133 150 134 92 146 81 135 149 95 145 160 0.925 32.67 -0.4 93 97 88 96 220 7.6 0.370 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8678 1699.6 8.1 scans 11% 70 m/z (149) 2.2% 0.00570% 4909 1.5 57 17609 0.00828% 462764 428478 672255 2-0 4: 70 96 151 74 0.647 32.87 0.1 70 87 63 82 186 11.4 4.033 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9345 1702.4 7.8 scans 70% 71 m/z 0.10% 0.0769% 4920 0.9 226 375394 6249633 5886884 6-2 14: 71 43 111 159 56 243 155 173 143 98 89 73 127 244 0.951 32.93 0.1 93 93 86 97 243 34.8 2.372 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0856 1708.7 7.3 scans 37% 97 m/z (179) 4.0% 0.0111% 4947 0.9 85 9529 903242 812379 1-1 20: 97 83 57 55 111 70 56 69 43 41 140 110 67 84 54 85 151 68 126 98 0.877 33.09 0.0 85 93 92 97 224 5.5 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3082 1718.1 7.2 scans 70% 57 m/z (135) 0.40% 0.0496% 4984 0.9 178 95786 4027742 3536871 5-2 20: 57 71 85 43 41 55 99 56 70 42 113 69 226 98 112 84 97 83 154 126 0.974 33.37 -2.7 96 99 98 99 226 19.6 1.206 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8932 1728.2 8.0 scans 25% 71 m/z 1.6% 0.00850% 5083 1.0 85 23215 690528 655933 1-1 15: 71 43 57 70 85 55 41 113 99 72 56 196 127 198 197 0.709 33.90 -0.1 84 90 74 87 197 18.0 4.514 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2775 1733.7 8.7 scans 17% 57 m/z (173) 2.4% 0.00729% 5148 0.9 64 15868 592212 489031 2-1 19: 57 71 128 210 127 85 43 91 183 67 159 181 81 93 169 119 141 182 51 0.787 34.27 0.1 75 83 72 86 211 12.8 3.962 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4027 1735.5 11.2 scans 93% TIC 0.0078% 4.33% 5169 0.5 1445 4956475 351992756 323074368 2-2 0.997 34.39 452.5 80 99 99 100 415 176.9 1.501 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7905 1741.1 13.2 scans 88% TIC 0.031% 0.721% 5235 0.3 543 1240120 58611827 52804654 2-2 0.988 34.79 452.1 81 100 98 100 199 152.7 7.900 0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9027 1742.7 8.5 scans 28% 68 m/z (71) 1.9% 0.0167% 5254 1.3 95 20056 1357303 1201160 1-3 4: 68 125 224 153 0.856 34.90 -0.0 89 96 92 98 224 12.2 1.627 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1042 ? Phytol 35.3454 1749.0 9.0 scans 66% 57 m/z (73) 0.59% 0.0769% 5329 0.8 196 65521 6244888 5425430 3-1 20: 57 71 43 85 41 55 69 56 70 81 126 111 83 82 109 96 137 112 97 196 0.971 35.35 451.6 73 94 96 99 196 16.7 0.726 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6896 1753.9 9.0 scans 34% 123 m/z 0.25% 0.0395% 5387 1.1 155 149521 3208954 2913566 2-3 20: 123 43 193 209 124 109 125 105 79 77 91 95 121 131 165 181 194 167 147 195 0.579 35.70 451.2 72 96 55 92 224 21.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9399 1757.5 9.5 scans 45% 91 m/z (85) 0.36% 0.0666% 5429 1.0 181 107205 5409029 4900883 2-4 16: 91 155 184 199 92 44 93 65 68 89 39 156 63 148 131 120 0.738 35.94 451.1 66 92 63 90 238 5.5 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1186 ?? Cotinine 36.1772 1760.9 10.6 scans 36% 98 m/z (71) 0.44% 0.0396% 5469 1.1 134 87838 3219654 2970661 3-1 12: 98 176 118 121 119 175 177 78 117 51 233 63 0.709 36.19 -88.9 64 84 81 92 176 46.1 11.822 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1006 ?? Contamination 36.58min 36.5267 1765.9 7.4 scans 6.2% 221 m/z (82 91) 1.4% 0.0142% 5529 1.0 96 26729 1153022 1090445 1-4 9: 221 73 295 222 148 281 355 209 297 0.615 36.58 449.4 66 97 80 96 369 15.7 2.655 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2002 1775.5 8.2 scans 33% 209 m/z 0.45% 0.0264% 5643 1.0 131 85980 2150995 1941903 3-2 19: 209 224 179 181 210 165 167 166 178 105 193 103 225 89 129 115 117 191 189 0.813 37.20 449.2 75 97 76 96 224 45.6 12.121 0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1016 ? Octadecane 37.2988 1777.0 9.0 scans 57% 71 m/z (91) 0.63% 0.0577% 5660 1.4 167 61555 0.0819% 4691837 4081286 6649479 2-2 20: 71 85 57 43 99 113 127 84 69 41 55 126 155 72 70 169 42 97 141 111 0.946 38.91 -23.0 78 83 93 83 254 2.0 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0562 1787.8 8.5 scans 54% TIC 0.56% 0.0260% 5788 1.1 151 69288 2118613 1997281 2-1 0.883 38.06 448.1 75 96 87 94 225 28.7 3.606 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5745 1795.2 9.3 scans 94% 73 m/z 0.022% 1.21% 5876 1.1 809 1735689 98445217 93310495 2-3 20: 73 429 147 221 355 281 341 207 356 222 401 357 74 148 295 282 267 325 432 459 0.991 38.59 447.1 80 100 98 100 429 239.0 8.728 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1014 ? Heptadecane 38.8071 1798.5 11.7 scans 41% 71 m/z (97) 1.0% 0.0303% 5915 1.8 115 37612 2465237 2300265 1-1 18: 71 85 57 211 126 55 41 99 69 238 113 212 70 58 84 86 169 59 0.804 36.21 -52.4 71 92 82 89 240 11.8 0.000 2.596 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 39.1271 1826.9 >13 scans 30% TIC 4.1% 0.00583% 5970 0.8 75 9369 473908 444160 0-1 0.714 39.14 470.2 70 94 71 93 272 8.6 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4541 1867.5 9.2 scans 37% 74 m/z 0.62% 0.0245% 6025 1.2 119 62329 1995025 1882642 2-3 14: 74 87 213 143 75 59 225 129 102 101 185 60 157 199 0.702 39.45 506.0 71 96 68 93 256 20.1 2.866 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.9730 1931.8 >22 scans 95% 95 m/z 0.010% 10.7% 6113 0.1 1763 3652903 11.3% 872534050 872534050 917449438 0-0 20: 95 123 82 81 55 69 41 83 57 96 71 111 137 56 94 53 125 70 85 42 0.999 39.94 562.7 81 100 100 100 278 122.7 0.484 0.037 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0073 1936.0 >4 scans 67% 58 m/z (184) 0.14% 0.114% 6118 2.4 366 266385 9306710 8832368 0-11 20: 58 43 59 71 85 109 250 110 55 124 41 70 113 210 165 126 56 138 125 42 0.990 39.88 567.7 73 94 95 96 250 37.3 1.039 0.124 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1020 ?? Hexahydrofarnesyl acetone 40.0073 1936.0 >4 scans 51% 58 m/z (95) 0.14% 0.0885% 6118 2.4 322 267810 7191660 6825118 0-11 20: 58 43 59 71 85 109 250 110 55 124 41 70 113 210 165 126 56 138 125 42 0.951 39.98 566.3 66 84 83 97 268 9.2 0.081 0.032 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1094 ? Geranyl-a-terpinene 40.2286 1963.5 8.7 scans 64% 159 m/z 0.43% 0.0806% 6156 1.0 224 89122 6547267 5946308 2-2 18: 159 119 105 161 91 69 120 93 132 81 160 146 131 272 133 79 77 121 0.924 40.24 589.6 79 99 90 98 272 24.1 1.162 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3544 1979.1 7.7 scans 35% 149 m/z (225) 0.16% 0.0354% 6177 1.1 148 237185 2875107 2619636 2-11 12: 149 150 223 104 76 237 167 205 132 219 311 75 0.899 40.31 604.2 70 94 77 95 223 33.1 4.992 0.049 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1110 Phytol 40.4447 1990.3 8.7 scans 94% 81 m/z 0.026% 1.92% 6193 0.5 1065 1444739 155909034 147494124 2-5 20: 81 82 95 68 123 57 69 43 79 83 67 55 41 96 71 97 109 124 111 110 0.996 40.66 -26.9 97 98 99 98 278 125.2 1.382 -0.217 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6124 2011.1 6.9 scans 19% 221 m/z (278) 1.9% 0.00910% 6221 1.2 80 20198 739518 681056 2-6 15: 221 73 147 295 207 281 222 369 341 355 283 148 74 282 267 0.816 40.63 631.0 69 95 80 97 369 14.0 3.062 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1254 Phytol 40.8691 2042.9 8.1 scans 69% 95 m/z 0.14% 0.257% 6265 1.0 408 265750 20928723 18958122 2-4 20: 95 81 57 123 68 43 67 96 71 55 79 41 69 83 278 109 97 124 85 111 0.790 40.87 0.2 98 99 79 98 278 63.5 2.427 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BQLD_R~1-N1056 ? Homosalate 41.0250 2062.2 8.8 scans 22% 138 m/z 1.4% 0.0136% 6291 1.1 93 27011 1104266 996436 2-1 10: 138 120 109 121 124 92 139 262 65 91 0.684 41.00 676.4 75 99 73 98 262 14.8 2.521 0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2540 2090.6 7.8 scans 64% 79 m/z (99) 0.58% 0.0639% 6330 1.0 201 66654 5190767 4905052 2-1 19: 79 67 93 95 80 91 55 108 41 121 81 94 77 107 78 135 59 87 122 0.934 41.26 -0.4 93 99 93 98 264 14.5 0.522 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4430 2114.0 7.9 scans 70% 205 m/z (237) 0.76% 0.0826% 6362 0.8 226 50803 6713546 6276460 3-2 17: 205 217 175 189 220 177 232 91 261 192 203 191 179 147 115 161 117 0.957 41.49 -82.6 80 98 92 97 276 13.9 0.379 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.5876 2124.9 8.7 scans 50% 187 m/z (69) 0.18% 0.165% 6386 1.1 298 209365 13434594 12106999 2-5 15: 187 159 272 160 188 145 273 131 117 146 132 216 118 257 158 0.890 41.76 727.2 74 97 77 96 272 92.0 9.510 -0.173 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1008 ? UNK diterpene 41.87min 41.7582 2134.4 8.5 scans 52% 189 m/z (257) 1.0% 0.0573% 6415 1.1 178 38061 4659753 4117657 1-9 17: 189 272 105 91 161 147 133 119 159 145 107 202 93 175 131 79 117 0.821 41.87 735.0 76 99 88 98 272 41.4 5.392 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1258 Diterpene 42.0min 41.7629 2134.7 8.7 scans 27% TIC 1.5% 0.0152% 6416 0.9 132 25593 0.0291% 1241015 1241015 2362635 0-0 0.508 42.05 -15.9 80 84 53 81 272 40.6 0.000 -0.282 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1028 Diterpene 42.0min 42.0315 2149.8 8.5 scans 93% 74 m/z 0.014% 1.45% 6461 0.5 934 2608296 117834517 108685055 3-2 20: 74 87 143 43 55 270 41 69 57 129 239 83 59 101 171 199 71 241 56 115 0.994 42.01 747.8 80 99 99 99 272 23.3 0.062 0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3450 2167.4 8.1 scans 72% 73 m/z 0.21% 0.0936% 6515 1.1 242 177111 7601576 7104815 2-4 20: 73 147 281 221 429 207 341 282 430 503 148 283 74 505 295 431 149 342 327 461 0.937 42.37 758.4 75 95 92 98 503 42.0 3.012 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1260 ? Diterpene 42.4min 42.3881 2169.8 9.5 scans 21% 91 m/z (73) 6.0% 0.0121% 6522 1.0 81 6390 986193 937473 1-1 18: 91 161 257 69 162 229 201 107 79 78 41 81 94 202 134 92 120 82 0.716 42.40 -0.6 72 86 58 82 272 7.8 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1250 ?? Kaurene 43.2min RI2212 42.8680 2196.7 9.1 scans 13% 93 m/z (70) 7.1% 0.00413% 6604 1.1 48 5415 335396 330790 0-1 15: 93 157 122 94 81 79 109 147 143 121 103 136 115 161 155 0.425 43.15 -16.1 66 80 36 74 272 6.1 0.000 -0.286 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.8845 2197.7 8.6 scans 10% 148 m/z (70) 5.6% 0.00296% 6606 1.3 43 6869 240544 240544 0-0 5: 148 120 190 134 186 0.381 42.90 -1.0 82 93 40 92 272 6.5 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 42.9979 2204.0 8.0 scans 56% 82 m/z (157) 0.20% 0.0570% 6625 1.0 188 185284 4628220 4385577 1-2 12: 82 81 95 83 109 137 96 94 53 152 135 107 0.782 43.03 781.9 67 96 89 95 292 23.1 1.510 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1246 ?? Thunbergen/Cembrene 43.1638 2213.3 10.1 scans 5.2% TIC 2.4% 0.00342% 6653 0.8 48 16045 277840 265626 2-1 0.123 42.99 9.7 68 80 10 71 272 32.8 0.000 0.174 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN N406_R~1-N1112 Phyllocladene 43.1732 2213.9 8.3 scans 49% 187 m/z (57) 0.82% 0.0388% 6655 0.7 145 47177 3152778 2867893 2-2 20: 187 134 161 105 272 119 91 159 162 160 145 93 189 146 257 131 163 147 201 273 0.917 43.24 -3.5 96 99 90 99 272 34.2 5.529 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7949 2363.7 8.0 scans 41% 73 m/z 1.0% 0.0161% 7100 1.1 102 36414 1314445 1220647 2-3 19: 73 355 147 221 281 356 357 222 205 429 74 207 267 326 282 148 223 415 149 0.794 45.78 1.1 93 95 75 93 503 11.2 1.210 0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1054 2381.5 7.8 scans 87% 79 m/z 0.10% 0.360% 7152 0.9 484 382434 29284344 27253094 2-6 20: 79 67 95 93 108 80 81 55 41 91 107 94 77 121 69 135 122 78 149 109 0.959 46.13 -1.7 97 97 97 99 292 35.3 0.531 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN HCMIX_~1-N1022 Henicosane 46.1833 2386.0 8.9 scans 39% 57 m/z (221) 1.5% 0.0155% 7165 1.0 90 24560 0.0310% 1259544 1129660 2516897 0-9 18: 57 71 85 43 99 56 113 169 139 296 197 126 196 127 72 155 140 182 0.758 46.28 -5.7 83 93 77 91 296 8.8 0.951 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4259 2400.0 8.3 scans 42% 177 m/z (124) 1.8% 0.0151% 7206 1.0 93 21565 1226118 1104134 5-5 4: 177 195 107 121 0.803 46.49 -4.0 91 97 79 94 290 13.2 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7595 2419.2 8.2 scans 70% 74 m/z (90) 0.50% 0.0399% 7262 1.1 154 76293 3243232 3027296 3-3 16: 74 87 75 255 298 143 43 55 199 41 69 88 97 83 267 213 0.945 46.76 924.1 76 99 95 98 298 28.7 3.471 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN TAB_REP1-N1226 ?? Sclareol 47.42min 47.3480 2453.1 9.0 scans 6.7% 121 m/z (98) 14% 0.000973% 7362 1.2 23 2700 78967 76379 3-0 16: 121 81 109 141 137 91 290 82 94 177 107 126 127 178 77 65 0.288 47.42 -4.0 62 87 24 80 290 5.0 0.000 -0.070 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5050 2462.1 8.1 scans 20% 138 m/z (147) 6.7% 0.00282% 7388 1.1 41 5785 229236 208185 2-6 5: 138 121 120 139 306 0.618 47.50 949.3 65 97 69 94 168 5.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9384 2544.6 7.6 scans 56% 73 m/z (117 119) 1.6% 0.0111% 7632 1.2 82 23362 902449 830393 2-6 20: 73 356 355 147 429 221 282 401 357 431 295 207 325 341 148 327 222 223 416 283 0.777 48.95 994.2 68 97 82 98 429 23.9 8.468 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 48.9384 2544.6 8.2 scans 51% TIC 1.6% 0.00905% 7632 1.4 78 23754 735119 646937 0-3 0.728 51.86 913.7 71 93 69 91 503 6.7 0.721 -2.920 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1574 772.5 >22 scans 71% 77 m/z 0.15% 0.0823% 46 1.7 163 305475 7280290 6466394 1-3 11: 77 45 78 79 63 62 76 47 59 92 75 0.991 4.37 18.5 100 100 98 100 77 140.4 73.849 -0.214 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5949 836.0 16.3 scans 61% 207 m/z (75) 0.46% 0.0399% 459 2.7 118 100398 3526986 3373776 1-1 18: 207 96 95 209 39 191 97 133 192 208 210 147 38 177 163 67 37 50 0.723 6.53 -140.8 75 98 82 98 207 80.5 46.705 0.067 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6947 864.6 9.1 scans 94% 55 m/z (95) 0.073% 0.695% 645 1.7 581 642674 61470567 56636854 1-3 20: 55 69 41 83 39 42 57 98 70 43 97 56 80 53 54 40 79 68 51 38 0.998 7.71 9.3 99 100 100 100 98 107.5 3.426 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.2927 984.3 >17 scans 39% 265 m/z (165) 1.6% 0.0113% 1424 999.0 79 29115 0.0561% 1006604 871163 4958537 0-1 16: 265 191 249 115 251 104 252 285 192 119 282 194 283 103 110 147 0.717 12.22 38.0 87 95 52 97 281 43.4 30.418 0.073 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6800 994.4 11.4 scans 80% 81 m/z (96) 0.20% 0.110% 1490 2.2 208 233487 9805774 8742625 2-2 20: 81 110 53 39 79 67 68 41 65 77 82 109 51 95 66 50 54 40 52 111 0.987 13.22 30.8 93 97 97 99 110 60.3 8.394 -0.542 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1022 ? Octanal 12.9368 1001.1 8.5 scans 60% 84 m/z (60) 1.8% 0.0341% 1533 1.3 138 25255 3014493 2672030 2-5 11: 84 44 57 56 69 82 100 85 68 67 95 0.980 12.96 -173.7 72 92 94 99 110 15.1 1.195 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1016 ? Limonene 13.9102 1027.5 8.2 scans 35% TIC 2.0% 0.0102% 1698 1.0 101 23275 908508 899063 1-0 0.562 13.89 52.2 79 95 77 94 136 19.9 3.861 0.018 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.1458 1033.9 17.9 scans 91% 77 m/z 0.087% 0.530% 1738 0.8 403 535293 46893640 43070936 2-3 20: 77 108 107 51 91 78 80 90 39 63 65 109 105 50 89 61 74 73 37 86 0.994 14.11 54.9 92 100 100 100 108 178.1 19.502 0.037 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4569 1042.3 10.2 scans 83% 91 m/z 0.070% 0.182% 1791 1.6 297 664387 16172981 14403653 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 38 74 61 66 52 75 0.972 14.44 57.5 91 100 98 100 120 96.6 10.564 0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0189 1057.5 8.2 scans 46% 70 m/z (107) 3.8% 0.00873% 1885 1.5 75 12122 771881 727876 1-2 18: 70 55 41 83 57 97 69 39 42 58 93 68 53 67 79 84 56 91 0.871 18.83 4.8 75 80 77 82 122 0.0 0.000 -3.811 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1848 1062.0 >14 scans 87% TIC 0.10% 0.175% 1914 1.3 287 456789 0.326% 15539778 14351368 28814315 3-0 0.966 15.17 64.6 89 100 97 100 123 100.2 12.154 0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN 98-86-2 ? Acetophenone 15.2739 1064.4 11.1 scans 73% 105 m/z 0.11% 0.141% 1929 1.2 279 420521 0.213% 12502825 11683827 18826531 0-3 20: 105 77 120 51 106 50 43 78 74 121 107 76 63 91 75 65 62 52 125 39 0.983 15.29 -181.3 78 97 95 99 120 96.4 11.963 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4368 1068.8 9.9 scans 64% 95 m/z (87) 0.26% 0.0913% 1957 1.8 206 179367 8072866 7679345 1-2 15: 95 81 124 79 43 109 53 39 65 82 96 66 63 125 123 0.811 15.43 67.1 85 99 94 99 124 61.2 8.874 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.2137 1089.9 8.8 scans 28% 132 m/z (113) 2.4% 0.00926% 2088 1.7 72 19068 818748 752521 1-3 17: 132 117 115 92 131 99 116 89 128 133 127 65 63 102 75 118 74 0.870 16.25 -184.7 74 99 91 98 132 35.1 23.447 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1002 Undecane 16.6134 1101.1 8.7 scans 39% 57 m/z (127) 2.2% 0.0126% 2156 1.1 84 21030 1121571 1006838 5-1 4: 57 71 99 98 0.790 16.59 1.1 80 89 84 90 156 9.6 0.000 0.026 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1016 ?? Nonanal 16.7869 1108.4 8.5 scans 87% 57 m/z (140) 0.12% 0.366% 2185 1.2 461 385319 32421676 29452381 4-4 20: 57 41 56 43 55 98 70 44 69 82 68 95 81 96 67 39 42 71 54 45 0.991 16.82 86.0 66 77 96 98 124 24.6 0.284 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9705 1116.2 >12 scans 43% TIC 1.3% 0.0129% 2216 1.1 100 35972 1141918 1055877 1-0 0.765 16.97 91.5 75 96 86 96 128 23.3 5.387 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1074 Benzeneethanol 17.0791 1120.8 11.1 scans 66% 91 m/z 0.23% 0.0572% 2235 1.0 169 195868 5056410 4713201 3-3 13: 91 92 122 65 89 51 63 78 123 50 64 102 104 0.875 17.05 94.8 80 100 91 99 122 58.9 12.178 0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0833 1163.2 10.6 scans 65% 73 m/z 0.80% 0.0292% 2405 1.5 121 57992 2585137 2294651 6-8 19: 73 355 267 356 268 269 249 323 270 251 357 358 252 74 359 155 253 324 237 0.869 18.13 -168.5 79 99 83 98 355 55.0 20.682 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7037 1189.4 8.2 scans 44% 82 m/z (133) 6.9% 0.00637% 2510 1.2 67 6733 563852 561091 0-1 20: 82 98 69 41 125 111 67 43 68 107 95 79 110 93 112 39 108 97 96 71 0.862 18.71 138.6 67 94 86 95 153 3.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1240 1207.2 8.5 scans 35% 82 m/z (77) 2.7% 0.00511% 2581 1.1 55 17021 452003 409860 1-3 2: 82 54 0.843 19.12 150.1 69 96 86 97 97 8.2 2.208 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.7575 1233.9 11.5 scans 29% 119 m/z (128) 1.2% 0.0114% 2688 1.1 73 36815 1015384 934143 3-2 6: 119 91 65 134 120 92 0.635 13.76 34.4 73 82 69 82 134 23.3 10.133 6.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7935 1235.5 8.6 scans 57% 57 m/z 0.59% 0.0292% 2694 1.2 138 78815 2585544 2339326 2-4 19: 57 45 41 56 89 72 101 59 100 85 132 75 60 55 73 58 62 102 88 0.888 19.81 168.0 75 96 89 96 144 1.9 0.000 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1266 ?? Octanoic acid 20.2150 1253.3 16.3 scans 65% 60 m/z (68) 0.88% 0.0497% 2765 0.7 127 52739 4392898 4118350 1-1 17: 60 73 101 41 55 85 43 115 69 98 42 102 56 61 74 87 59 0.937 22.03 -55.8 63 74 76 80 175 0.0 0.000 -1.819 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1004 ? Dodecane 20.3112 1257.3 10.8 scans 37% 57 m/z (68) 3.3% 0.00807% 2782 2.1 62 13885 713789 616354 1-2 8: 57 71 43 170 70 85 128 58 0.700 20.32 -0.4 77 94 80 92 170 7.2 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1064 ? Benzoic acid 20.4853 1262.7 >26 scans 36% 105 m/z 1.0% 0.0377% 2811 1.0 95 44928 3336626 3092372 2-0 4: 105 75 106 51 0.761 20.03 192.0 72 96 86 95 122 49.2 26.898 0.456 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1034 ? Decanal 20.5261 1263.9 8.9 scans 76% TIC 0.43% 0.124% 2819 0.9 269 107295 10964502 9623874 3-6 0.920 20.57 -143.1 78 98 97 98 138 13.9 0.269 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1006 ? Arosol 20.9753 1277.4 10.1 scans 25% 94 m/z 0.57% 0.0171% 2895 1.0 105 80962 1518463 1403211 2-0 17: 94 138 51 50 139 117 66 45 135 103 75 54 40 60 62 149 76 0.643 20.98 192.4 72 99 74 97 152 6.8 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1066 ? b-Cyclocitral 20.9930 1277.9 8.9 scans 60% 137 m/z (94) 0.92% 0.0488% 2897 1.1 171 50685 4321259 4016946 2-3 19: 137 152 109 123 81 67 95 91 79 93 39 41 55 153 53 124 150 121 110 0.810 21.00 192.6 75 99 76 97 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 21.2776 1286.4 7.6 scans 21% 56 m/z 3.5% 0.00391% 2946 1.2 62 13401 345846 345846 0-0 15: 56 57 70 71 112 55 85 96 41 67 95 126 111 81 84 0.625 16.82 -5.0 73 76 38 74 124 2.6 0.000 4.463 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1018 ?? Contamination 12.25min 21.3897 1289.8 >6 scans 8.7% 265 m/z (97) 3.4% 0.00374% 2964 999.0 43 13545 0.00918% 331325 241213 811397 0-3 6: 265 249 284 61 128 282 0.538 12.25 136.7 65 91 54 91 281 29.6 46.568 9.139 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1010 ?? UNK 22.91min 22.8951 1335.0 9.1 scans 53% 69 m/z (70) 0.62% 0.0376% 3220 1.3 142 75038 3329945 3044176 3-3 10: 69 43 109 86 110 128 127 67 95 170 0.887 22.91 221.4 66 91 81 93 127 19.3 1.854 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.7133 1359.5 >20 scans 89% 73 m/z (136) 0.11% 0.534% 3359 0.1 420 415625 47279378 43910572 1-2 20: 73 60 57 115 55 41 43 129 69 98 45 87 56 39 61 101 42 84 70 83 0.988 25.35 210.3 74 94 94 99 162 0.0 0.000 -1.641 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.7133 1359.5 >20 scans 88% 73 m/z 0.11% 0.487% 3359 0.1 417 418326 43120688 40048201 1-2 20: 73 60 57 115 55 41 43 129 69 98 45 87 56 39 61 101 42 84 70 83 0.978 22.70 -115.8 76 94 93 99 158 28.9 0.481 1.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0999 1371.9 7.3 scans 58% 73 m/z 0.38% 0.0415% 3424 1.0 177 120488 3671284 3430106 2-3 19: 73 341 429 342 325 147 343 430 431 74 82 149 327 326 207 344 432 68 75 0.769 24.17 -151.9 78 99 86 98 429 55.0 9.647 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1084 ? Pentadecane 24.5563 1387.2 8.0 scans 36% 71 m/z (69) 2.3% 0.00962% 3501 1.2 78 20283 850333 786828 5-0 12: 71 57 85 43 70 127 155 126 58 56 72 169 0.893 24.54 249.9 71 97 89 95 169 9.2 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1006 ?? Tridecane 24.5563 1387.2 8.0 scans 36% 71 m/z (69 141) 2.3% 0.00976% 3501 1.2 79 20246 863412 798930 5-0 12: 71 57 85 43 70 127 155 126 58 56 72 169 0.888 23.86 23.2 67 77 83 76 184 0.0 0.000 0.694 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7540 1393.8 9.6 scans 59% 43 m/z (171) 1.1% 0.0232% 3535 0.9 113 39934 0.0296% 2055697 1955204 2616269 0-1 19: 43 83 82 55 58 56 113 93 85 108 111 84 41 57 127 39 128 70 142 0.931 24.70 254.2 75 97 97 97 170 5.3 0.000 0.058 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2139 1409.2 7.6 scans 21% 43 m/z 1.5% 0.00381% 3613 0.7 55 30273 337393 298641 4-2 9: 43 145 103 116 99 86 146 115 126 0.866 25.24 -150.7 65 92 86 91 145 20.5 14.023 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.5215 1419.4 >24 scans 94% TIC 0.0062% 7.66% 3665 0.2 1450 7479966 677127877 648541113 0-3 0.999 25.89 262.4 79 98 98 99 162 405.4 7.822 -0.371 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN GLAU_R~1-N1080 ?? Solanone 25.7800 1428.1 7.9 scans 25% 93 m/z (85) 2.4% 0.00970% 3708 1.1 80 18876 857623 789104 10-3 6: 93 121 136 94 137 194 0.854 25.78 272.8 68 95 84 95 194 11.0 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0976 1472.1 6.6 scans 26% 221 m/z 3.4% 0.00363% 3932 1.1 56 13722 321157 293765 2-1 17: 221 73 147 281 267 222 355 148 149 443 357 268 356 282 283 269 191 0.718 27.12 297.2 72 95 67 92 355 12.6 5.035 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1673 1474.4 >9 scans 70% 57 m/z (178) 0.64% 0.0300% 3944 1.0 143 73287 0.0632% 2660127 2566452 5586088 1-0 20: 57 71 85 43 41 198 112 99 56 140 55 70 42 98 84 169 127 113 141 155 0.970 27.21 -1.4 94 97 95 97 198 18.1 1.617 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1032 ? Myosmine 27.9949 1505.3 14.3 scans 51% 145 m/z 0.53% 0.0410% 4083 1.0 130 88388 3630927 3499895 1-4 14: 145 118 146 105 78 51 104 42 50 64 75 62 90 61 0.796 27.93 318.6 73 93 72 92 146 65.4 25.280 0.064 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3751 1519.6 8.4 scans 24% 80 m/z (111) 2.4% 0.00468% 4149 0.9 54 18780 413893 387965 3-1 5: 80 171 172 104 170 0.762 28.39 326.2 66 93 76 91 171 25.2 22.087 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6567 1530.2 7.9 scans 85% 43 m/z 0.083% 0.231% 4196 0.9 405 559468 20493517 19067998 4-9 20: 43 69 41 151 107 136 67 93 125 109 121 53 83 68 81 39 108 79 55 91 0.973 28.67 332.8 79 99 96 98 194 25.6 0.398 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0882 1546.4 7.7 scans 76% 71 m/z (166) 0.22% 0.120% 4269 1.1 285 206622 0.140% 10670644 10102995 12374246 1-0 20: 71 57 43 85 41 70 55 141 113 99 56 112 84 183 97 177 69 42 127 72 0.975 29.10 342.5 71 93 95 94 227 5.5 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5109 1562.3 8.3 scans 87% TIC 0.056% 0.441% 4341 1.1 543 829412 39007333 36012515 2-1 0.975 29.61 -150.8 79 99 96 99 503 92.7 2.919 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1022 Nicotyrine 29.6420 1567.3 10.1 scans 58% 158 m/z 0.032% 0.506% 4363 0.9 530 1434262 44755685 42365637 2-3 20: 158 157 130 116 117 89 156 63 90 78 143 103 42 142 80 50 64 128 129 52 0.843 29.68 354.7 80 100 86 99 158 304.3 32.957 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7535 1571.5 7.9 scans 64% 123 m/z 0.10% 0.0775% 4382 0.9 239 447776 6855529 6453049 1-3 15: 123 135 124 107 91 95 79 109 193 81 93 67 53 125 165 0.917 29.77 357.5 79 99 92 99 193 20.3 0.720 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9336 1578.2 8.5 scans 70% 71 m/z (194) 0.32% 0.0918% 4412 0.9 221 145360 8119653 7356352 1-3 18: 71 85 57 43 99 113 155 55 127 84 70 69 56 126 86 197 169 42 0.992 29.94 361.8 75 96 97 99 254 6.1 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1010 Pentadecane 30.3167 1592.6 8.3 scans 43% 57 m/z (168) 0.96% 0.0236% 4477 1.1 124 48856 0.0283% 2091880 2063366 2501365 1-2 17: 57 71 43 85 41 55 212 56 99 98 70 69 151 179 42 127 113 0.945 30.38 -2.3 83 86 91 95 212 15.2 1.496 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.4944 1599.8 8.2 scans 80% TIC 0.050% 0.182% 4507 1.3 357 934993 16150481 14258258 2-4 0.955 30.50 375.0 79 98 93 98 206 97.6 7.491 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8114 1613.2 8.4 scans 38% 124 m/z (57) 1.1% 0.0182% 4561 1.0 107 40273 1609698 1482171 2-4 4: 124 137 180 138 0.979 30.81 383.8 73 95 90 98 180 27.7 6.703 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8710 1615.7 9.6 scans 53% 162 m/z 0.41% 0.0508% 4571 1.2 174 112295 4492700 4221251 2-1 19: 162 147 161 105 148 119 91 134 163 77 204 51 133 115 78 131 145 104 65 0.783 30.88 -0.3 93 94 68 93 204 22.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9247 1617.9 8.3 scans 9.4% 172 m/z (176) 3.5% 0.00326% 4580 1.4 44 13338 0.00368% 288811 275980 325266 2-0 3: 172 171 156 0.867 30.93 -0.1 89 93 83 93 171 29.3 44.386 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1922 1629.2 9.3 scans 79% TIC 0.10% 0.243% 4625 0.8 389 455390 21557126 20227608 2-1 0.971 31.18 394.2 78 97 96 98 180 83.6 4.606 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5015 1642.2 9.7 scans 46% 43 m/z (105) 1.0% 0.0221% 4678 1.4 110 44961 1956104 1841978 1-1 19: 43 98 85 57 166 111 68 123 55 127 69 99 41 97 107 39 83 82 126 0.787 31.52 -0.5 88 93 84 93 166 19.8 3.256 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9100 1659.3 7.8 scans 39% 71 m/z (143) 1.9% 0.0210% 4747 0.7 111 23496 1858529 1739523 2-1 18: 71 57 55 85 41 69 111 210 155 99 67 113 56 45 127 87 125 68 0.759 31.92 -0.4 72 82 69 88 219 3.8 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0694 1666.0 6.8 scans 29% 221 m/z 1.2% 0.0116% 4774 1.0 96 38531 1026254 907535 4-3 15: 221 73 147 223 295 207 222 341 281 325 355 148 296 297 343 0.734 32.08 -0.4 96 99 79 97 355 17.5 0.000 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2288 1672.7 8.6 scans 58% 57 m/z (175) 0.74% 0.0380% 4801 1.1 151 63243 3359325 3106827 1-1 20: 57 71 43 85 41 56 183 55 99 149 70 113 182 42 83 155 211 69 100 97 0.927 32.24 -0.4 90 97 94 97 226 6.8 0.200 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4301 1681.2 9.1 scans 56% 57 m/z (152) 0.79% 0.0381% 4836 1.0 146 58706 3374545 2997162 1-2 19: 57 85 71 56 43 197 41 196 55 111 113 99 42 168 84 198 83 97 72 0.937 32.44 -0.5 87 92 91 92 226 6.7 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6704 1691.3 8.6 scans 69% 205 m/z (191) 1.8% 0.0561% 4875 0.9 186 25214 4961310 4780033 1-1 20: 205 91 43 105 93 107 159 162 187 147 135 41 131 77 95 106 119 177 146 149 0.965 32.67 -0.2 95 97 94 99 220 11.4 0.378 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8604 1699.3 7.4 scans 27% 70 m/z (149) 0.87% 0.0177% 4908 1.3 109 53351 1567206 1445708 3-2 2: 70 195 0.835 32.87 -0.2 75 87 81 84 186 4.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9254 1702.0 7.8 scans 48% 71 m/z (149) 0.27% 0.0357% 4919 0.7 147 169335 3156811 2785178 3-2 9: 71 43 159 243 155 72 173 143 185 0.898 32.93 -0.3 93 97 94 99 243 22.7 2.400 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1212 Hexadecene 33.0812 1708.5 7.9 scans 41% TIC 2.4% 0.0106% 4945 1.2 115 18784 945195 869266 1-1 0.851 33.09 -0.2 90 98 89 96 224 6.3 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3050 1717.9 7.6 scans 63% 57 m/z 0.33% 0.0555% 4983 0.7 199 140640 4908971 4401804 3-8 18: 57 71 43 85 41 55 99 56 70 113 226 42 84 155 98 112 72 140 0.876 33.37 -2.9 89 92 83 90 226 24.1 1.457 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8882 1728.2 7.1 scans 42% 71 m/z (193) 1.6% 0.0169% 5082 1.1 107 29041 1500185 1301631 9-1 17: 71 43 57 70 85 99 41 55 196 127 56 113 141 98 72 84 86 0.896 33.90 -0.1 89 96 93 96 197 20.6 3.740 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2589 1733.5 9.9 scans 45% 99 m/z (173) 1.0% 0.0223% 5145 1.3 115 45980 1978140 1875026 1-1 17: 99 113 55 127 183 58 70 154 169 147 69 168 114 225 197 163 120 0.904 34.27 -0.1 91 97 92 96 211 21.1 3.365 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.4301 1735.9 10.7 scans 94% 355 m/z 0.016% 2.26% 5174 0.8 1093 2916388 200237072 188836440 2-2 20: 355 73 221 147 281 356 401 357 282 415 327 403 283 207 74 148 149 75 133 339 0.996 34.39 452.9 81 100 99 100 415 133.7 1.497 0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7902 1741.1 13.3 scans 87% 91 m/z 0.036% 0.713% 5235 0.3 550 1293061 63049034 57891411 1-2 20: 91 155 199 90 65 184 89 92 120 44 63 137 106 77 64 51 156 200 109 157 0.987 34.79 452.1 80 99 98 99 199 154.9 7.924 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9089 1742.8 11.8 scans 46% 41 m/z (71) 0.91% 0.0540% 5255 1.2 156 51468 4775814 4330019 2-1 19: 41 70 125 126 110 56 225 96 124 95 81 54 42 196 151 53 109 123 174 0.918 34.90 0.1 92 94 95 99 224 18.3 1.365 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3457 1749.0 8.1 scans 78% 57 m/z 0.19% 0.205% 5329 0.9 379 235299 18182191 16133443 7-1 20: 57 71 43 69 55 85 95 56 41 81 126 70 111 83 82 96 67 97 137 84 0.934 35.35 451.6 77 99 96 99 196 33.6 0.783 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6887 1753.9 8.7 scans 47% 123 m/z (185) 0.63% 0.0481% 5387 1.0 172 74386 4256206 4072118 2-2 19: 123 209 193 224 165 105 181 210 167 115 195 124 166 131 91 211 179 79 109 0.951 35.70 451.2 68 90 84 92 224 31.6 3.353 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9290 1757.4 16.2 scans 53% TIC 0.42% 0.0523% 5428 1.2 211 110141 0.0723% 4629780 4491158 6390414 1-0 0.779 35.94 451.0 71 95 74 94 238 6.7 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1186 ?? Cotinine 36.1799 1760.9 11.6 scans 26% 98 m/z (71) 0.83% 0.0266% 5470 1.5 104 56459 2359554 2097302 3-4 11: 98 176 118 175 119 177 51 63 52 116 117 0.927 36.19 -88.9 63 83 75 88 176 35.7 11.749 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5423 1766.1 7.8 scans 5.5% 73 m/z 1.3% 0.00502% 5532 0.8 60 33877 443776 395196 4-3 13: 73 147 207 295 222 223 281 369 296 341 325 148 370 0.253 36.58 449.6 70 96 25 92 369 17.3 8.426 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1988 1775.5 8.2 scans 44% 209 m/z (85) 0.38% 0.0461% 5643 0.9 174 122450 4083421 3925357 1-2 19: 209 224 181 165 210 167 178 105 166 77 225 179 194 103 115 152 117 193 182 0.923 37.20 449.2 76 98 93 99 224 54.6 9.880 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1016 Octadecane 37.3033 1777.0 9.5 scans 53% 71 m/z (81) 0.71% 0.0551% 5661 1.2 171 65274 4871623 4401963 0-3 20: 71 85 57 43 99 113 55 84 127 41 111 69 155 70 141 211 112 56 86 169 0.964 38.91 -23.0 81 86 93 85 254 2.5 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0618 1787.9 8.8 scans 63% 57 m/z (173) 0.45% 0.0640% 5789 1.2 193 102932 5664785 5241547 1-3 20: 57 71 85 43 56 99 41 55 224 225 113 69 83 70 98 155 141 125 154 197 0.961 38.06 448.2 76 99 98 99 225 34.4 3.177 0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.6333 1796.0 9.4 scans 92% 73 m/z 0.024% 1.21% 5886 0.9 849 1884600 107768561 99203610 2-3 20: 73 147 221 355 281 341 431 207 356 401 222 357 74 342 267 295 282 325 402 475 0.992 38.59 447.9 80 99 99 100 429 253.2 8.906 0.042 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1096 ? Geranyl-a-terpinene 39.1239 1826.5 8.4 scans 24% 159 m/z (109) 3.8% 0.0110% 5969 1.3 82 12291 976520 913834 3-2 11: 159 161 120 272 188 162 132 118 160 146 150 0.825 39.14 469.8 71 97 83 95 272 10.1 1.517 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.7803 1907.9 >5 scans 5.6% 235 m/z 0.23% 0.0754% 6081 0.0 267 197395 6667369 6173294 1-0 5: 235 277 37 73 195 0.092 40.66 527.4 66 91 13 88 278 60.3 5.097 -0.882 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1018 Neophytadiene 39.8198 1912.8 >9 scans 66% 264 m/z 0.028% 1.92% 6087 0.2 1113 1633987 169905132 163176121 1-0 8: 264 126 168 194 235 113 90 63 0.956 39.94 543.7 80 100 95 99 278 80.8 0.527 -0.116 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.4692 1993.3 9.3 scans 22% 149 m/z (81) 0.32% 0.0326% 6197 1.1 134 145197 2882267 2674399 3-4 7: 149 150 223 104 76 167 132 0.720 40.31 618.4 69 94 74 98 223 26.4 3.895 0.164 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1110 Phytol 40.5158 1999.1 7.1 scans 65% 81 m/z 0.20% 0.184% 6205 1.0 397 225277 0.206% 16269298 14805086 18207819 5-5 15: 81 82 95 68 123 69 79 67 83 109 96 124 97 53 137 0.889 40.66 -18.1 93 95 87 94 278 44.3 1.248 -0.146 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1254 Phytol 40.9279 2050.2 8.1 scans 79% 82 m/z (182) 0.15% 0.352% 6274 0.9 478 300118 31175415 29059017 2-3 20: 82 81 95 68 123 57 43 69 79 83 67 55 71 41 96 97 109 124 278 111 0.899 40.87 7.5 97 99 89 99 278 66.7 1.945 0.061 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1829 2081.8 11.0 scans 80% TIC 0.14% 0.602% 6318 1.5 532 317696 53215321 48457656 5-2 0.935 41.13 694.0 79 98 92 98 262 109.4 4.227 0.054 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1256 ?? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2785 2093.7 >6 scans 35% 85 m/z (188) 1.6% 0.0368% 6334 6.5 172 28921 3259683 3154788 0-1 20: 85 97 151 57 192 79 96 71 83 247 80 82 56 225 67 113 91 112 41 70 0.843 41.26 2.7 69 80 77 81 264 2.7 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4515 2115.1 >18 scans 11% 71 m/z (205 82) 2.1% 0.0175% 6363 0.7 84 22099 1553785 1416835 1-1 5: 71 243 210 211 268 0.757 41.48 -3.9 64 84 65 82 268 6.6 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1010 ?? Phytol 41.52min 41.4680 2117.1 8.4 scans 14% 82 m/z (205) 0.73% 0.0261% 6366 1.0 126 63678 2307702 2103502 3-3 8: 82 95 96 123 278 248 279 280 0.718 41.52 723.2 66 96 70 93 278 25.9 4.192 -0.053 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4905 2119.4 8.2 scans 75% 205 m/z (82) 0.34% 0.175% 6370 0.8 338 136142 15468799 14772708 2-1 19: 205 217 175 57 189 220 177 232 55 91 261 191 203 135 115 176 192 161 206 0.978 41.49 -77.2 84 100 97 99 276 22.9 0.458 0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0348 2150.0 8.0 scans 84% 74 m/z 0.049% 0.412% 6462 0.8 537 947566 36462809 33681865 2-1 20: 74 87 143 43 55 75 227 41 270 69 57 129 239 83 59 101 88 185 97 171 0.955 42.01 748.0 79 99 95 98 272 12.5 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1258 ? Diterpene 42.0min 42.2467 2161.9 8.2 scans 64% 257 m/z 0.99% 0.0760% 6498 0.9 235 47142 6718194 6131145 2-9 19: 257 93 95 81 79 69 91 41 137 109 107 123 67 119 77 105 121 133 120 0.918 42.05 11.3 76 77 79 76 272 13.3 0.000 0.202 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3417 2167.2 8.0 scans 73% 73 m/z 0.20% 0.108% 6514 1.2 274 227424 9617436 9074461 2-3 20: 73 147 281 221 355 429 341 503 207 282 504 356 283 222 74 148 415 357 327 295 0.945 42.37 758.2 76 95 94 98 503 47.6 3.030 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0212 2205.3 8.2 scans 82% 82 m/z (236) 0.069% 0.195% 6629 1.0 351 673125 17316513 16137859 2-3 17: 82 81 95 43 83 41 109 55 96 94 53 137 67 108 292 135 107 0.978 43.03 783.2 69 91 96 93 292 43.9 1.558 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 43.1735 2213.9 11.8 scans 63% 57 m/z (83) 1.3% 0.0718% 6655 1.3 181 34899 6348472 5985589 1-3 19: 57 55 71 43 56 224 85 254 97 252 58 253 155 113 84 42 72 183 99 0.739 42.99 10.3 74 80 45 78 272 29.5 0.000 0.184 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N406_R~1-N1112 Phyllocladene 43.2007 2215.4 8.2 scans 25% 187 m/z 1.1% 0.0205% 6659 0.9 122 40673 1819231 1649882 3-2 15: 187 161 70 134 272 119 105 91 159 93 163 162 189 94 160 0.560 43.24 -2.0 93 95 66 93 272 32.9 7.278 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5684 2236.1 8.9 scans 42% 257 m/z (204) 3.2% 0.0204% 6722 1.1 108 14339 1806197 1713268 1-2 14: 257 79 134 93 201 91 107 272 135 121 133 191 148 77 0.843 43.55 0.9 91 96 80 94 272 11.9 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1238 Trachylobane 44.1712 2270.2 8.9 scans 45% TIC 2.3% 0.0202% 6824 0.8 130 19581 0.0246% 1791063 1633413 2174332 0-2 0.698 44.15 0.9 94 97 71 94 272 17.7 1.872 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N419_R~1-N1158 ? Manool oxide 44.3105 2278.3 8.5 scans 72% 257 m/z 0.61% 0.0947% 6847 1.1 255 76817 8375646 8075450 1-0 20: 257 275 81 192 95 177 137 55 67 109 43 191 69 123 258 41 107 79 121 276 0.899 43.83 840.7 78 99 89 98 275 66.4 6.763 0.483 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1234 Thunbergol 45.2285 2331.1 10.9 scans 95% 137 m/z (210) 0.043% 2.45% 7003 0.5 1095 1084243 216562195 205917050 2-2 20: 137 95 93 257 69 107 123 79 109 71 55 67 41 91 43 80 136 94 119 177 0.997 44.90 18.9 83 84 90 85 272 81.1 0.549 0.327 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7934 2363.6 7.9 scans 24% 73 m/z 1.3% 0.0138% 7099 1.2 98 34391 1227292 1153646 3-1 18: 73 355 147 221 281 356 357 429 207 415 399 416 279 327 74 401 503 148 0.804 45.78 1.0 93 95 76 93 503 10.3 1.101 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 45.8884 2369.1 20.1 scans 23% 80 m/z (67) 1.5% 0.0147% 7115 0.7 90 29497 0.0298% 1303424 1274014 2633947 0-3 16: 80 119 267 120 200 135 162 105 107 176 123 149 184 175 117 190 0.860 45.98 889.4 63 88 63 88 204 43.6 23.617 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9132 2370.5 8.0 scans 33% 74 m/z (80) 0.97% 0.0210% 7119 1.3 116 48151 1864918 1702816 2-4 12: 74 87 255 143 75 298 269 267 88 185 213 299 0.897 45.92 891.8 71 96 85 95 298 20.3 3.069 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1230 C18:3-butanoate 46.1027 2381.4 8.9 scans 16% 79 m/z 0.92% 0.0182% 7152 1.3 109 50569 1616069 1476030 2-2 20: 79 95 67 93 80 108 107 91 94 77 53 78 122 105 66 292 59 119 136 92 0.328 46.13 -1.8 80 87 34 82 292 12.3 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1022 ?? Henicosane 46.1895 2386.4 8.4 scans 19% 57 m/z (70) 2.0% 0.0104% 7166 0.9 65 22905 923602 712994 3-3 17: 57 71 85 296 183 72 99 113 169 100 154 225 197 127 155 86 126 0.791 46.28 -5.3 69 78 44 74 296 7.7 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1220 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.3135 2393.5 8.9 scans 24% 191 m/z (71) 2.4% 0.0102% 7188 0.9 78 18841 904967 826321 4-0 5: 191 192 134 178 189 0.841 46.86 -31.4 65 71 61 75 290 2.1 0.000 -0.546 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN TAB_REP1-N1264 ?? Sclareol 46.5min 46.4357 2400.5 9.0 scans 6.6% 177 m/z (85) 5.4% 0.00197% 7208 0.9 33 8670 174272 155437 2-3 5: 177 195 178 290 148 0.457 46.49 -3.5 67 78 26 73 290 8.8 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7627 2419.4 8.0 scans 57% 74 m/z (246) 0.81% 0.0270% 7263 1.0 132 57230 2392387 2199171 3-4 11: 74 87 143 75 298 267 199 129 59 255 299 0.927 46.76 924.3 74 98 93 98 298 24.9 3.564 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BQLD_R~1-N1052 ? Dodecyl p-hydroxybenzoate 47.5054 2462.1 7.7 scans 51% 138 m/z (73) 1.5% 0.0163% 7389 0.9 104 30924 1447924 1326908 2-4 10: 138 120 121 139 111 56 65 92 98 168 0.925 47.50 949.3 75 99 92 98 168 12.9 1.540 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6836 2472.4 6.7 scans 10% 295 m/z (145) 13% 0.00127% 7419 1.3 31 3558 112907 104894 0-4 4: 295 221 296 369 0.602 44.32 1025.1 62 98 72 94 369 8.4 0.000 3.364 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1008 ?? Contamination 40.63min 47.6836 2472.4 6.7 scans 10% 295 m/z (222) 13% 0.00127% 7419 1.3 31 3574 112853 104845 0-4 4: 295 221 296 369 0.652 40.63 1092.3 62 93 68 89 369 8.2 0.000 7.051 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN N419_R~1-N1164 ? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8525 2539.7 12.4 scans 63% TIC 3.0% 0.0308% 7617 1.1 126 15416 0.0415% 2730870 2540370 3668080 4-0 0.751 48.96 988.9 72 95 72 92 290 11.1 0.000 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9351 2544.4 8.0 scans 44% 73 m/z (105) 1.9% 0.0113% 7631 1.0 83 24410 999806 888111 9-3 19: 73 147 221 355 281 356 341 429 431 325 207 223 222 279 296 401 148 265 283 0.807 48.95 994.0 70 98 82 97 429 24.1 8.339 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1020 ? Methyl eicosanoate 50.3460 2625.6 7.6 scans 64% 87 m/z (141) 1.5% 0.0152% 7871 1.1 101 29922 1343587 1253215 2-5 13: 87 43 75 55 283 101 41 129 59 327 143 297 284 0.872 50.36 1038.6 72 98 89 96 326 19.7 3.786 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8514 2712.2 8.2 scans 43% 73 m/z 2.2% 0.00785% 8124 1.1 73 20698 693948 632188 2-6 19: 73 147 281 355 221 357 430 503 356 341 295 504 148 131 343 401 431 222 505 0.673 51.86 1081.3 75 98 66 95 503 12.6 3.015 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP4.FIN HCMIX_~1-N1030 ? Pentacosane 54.6554 2873.6 8.8 scans 26% 71 m/z (73) 5.5% 0.00437% 8600 1.2 50 8509 386473 350268 2-3 9: 71 43 99 113 84 86 98 72 140 0.704 54.79 -7.7 72 79 59 74 352 4.1 0.000 -0.135 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1675 772.8 >26 scans 58% 77 m/z (43) 0.33% 0.0472% 47 2.3 102 121377 3736114 3736114 0-0 8: 77 78 76 45 75 92 46 47 0.983 4.37 18.8 97 99 97 99 77 88.0 74.973 -0.204 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1016 ?? Pivalic acid 6.2000 825.7 11.9 scans 37% 57 m/z (69 44) 1.3% 0.0114% 392 1.0 63 31267 905949 821654 1-4 9: 57 41 98 80 59 87 97 51 38 0.778 6.03 -135.9 62 91 79 95 102 6.2 0.000 0.167 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5973 836.0 19.7 scans 66% 207 m/z 0.48% 0.0342% 460 2.3 97 83789 2707706 2483419 2-2 19: 207 97 96 95 191 133 194 193 208 119 179 38 39 176 165 67 163 210 135 0.816 6.53 -140.8 79 100 85 99 207 73.1 56.964 0.069 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6888 864.4 9.0 scans 93% 55 m/z (96) 0.10% 0.475% 644 2.0 447 377398 37590488 33678608 2-2 20: 55 69 41 83 39 42 57 98 70 56 97 43 80 53 54 40 79 68 51 38 0.989 7.71 9.1 99 100 100 100 98 84.5 3.564 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.2455 983.1 15.8 scans 33% 281 m/z 0.50% 0.0338% 1416 2.5 102 81552 2680386 2388632 2-2 20: 281 282 283 193 93 99 133 134 83 142 191 207 266 251 177 73 265 205 179 189 0.645 12.22 36.8 92 97 79 99 281 72.2 49.798 0.026 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1022 ? Octanal 12.9404 1001.2 8.2 scans 60% 57 m/z (45) 2.9% 0.0173% 1533 1.4 98 13801 1376342 1262927 1-3 18: 57 84 56 41 44 43 55 69 42 85 82 100 39 54 67 81 71 95 0.942 12.96 -173.6 72 96 94 99 110 10.5 1.162 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2473 1009.5 11.9 scans 87% TIC 0.10% 0.173% 1586 2.0 253 396581 13717091 12413804 2-3 0.965 13.22 45.9 92 98 96 98 110 69.9 7.654 0.025 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1016 Limonene 13.9144 1027.6 8.4 scans 69% 68 m/z (119) 1.1% 0.0311% 1698 1.3 127 36790 2468351 2208124 2-4 18: 68 93 67 124 79 121 94 107 92 123 53 91 95 39 80 81 136 51 0.875 13.89 52.3 87 99 95 99 136 25.2 3.930 0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.2001 1035.3 23.1 scans 87% TIC 0.14% 0.301% 1747 0.5 285 273372 23880142 22192670 0-3 0.990 14.11 56.3 92 100 99 100 108 126.2 19.662 0.091 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4569 1042.3 10.9 scans 80% TIC 0.11% 0.109% 1791 1.8 214 350567 8667983 7960411 2-2 0.960 14.44 57.5 91 100 97 100 120 70.3 10.836 0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1860 1062.0 12.1 scans 84% 105 m/z 0.080% 0.265% 1914 2.0 298 510488 21045503 19768518 2-1 19: 105 77 123 51 46 50 106 78 74 124 76 75 79 63 73 53 62 64 93 0.969 15.17 64.6 89 99 96 99 123 107.7 13.056 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN M4942-N1006 ? 2-Acetylpyrrole 15.2232 1063.0 13.1 scans 13% 94 m/z (105) 0.76% 0.0279% 1920 1.1 98 53722 2207765 2064928 2-3 5: 94 109 66 45 110 0.793 16.11 -207.2 76 99 92 99 109 54.1 30.398 -0.886 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN 98-86-2 ? Acetophenone 15.2539 1063.9 >11 scans 57% 105 m/z 0.22% 0.0598% 1925 999.0 168 179344 0.204% 4735834 4340325 16142800 0-2 4: 105 63 50 49 0.978 15.29 -181.8 74 93 91 95 120 32.4 3.720 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4392 1068.9 9.4 scans 68% 95 m/z (119) 0.23% 0.0897% 1957 1.9 194 172010 7100453 6480379 2-2 15: 95 81 124 43 79 109 53 39 65 82 96 66 63 123 125 0.898 15.43 67.2 85 100 92 100 124 60.2 9.564 0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2285 1090.3 8.9 scans 13% 115 m/z (108) 5.7% 0.00320% 2091 1.0 40 7083 253303 249130 0-1 10: 115 117 132 99 91 65 133 71 81 129 0.708 16.25 -184.3 70 99 77 98 132 21.3 28.205 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1002 Undecane 16.6093 1100.9 8.0 scans 37% 57 m/z 2.9% 0.00397% 2155 1.3 56 13980 314629 284772 1-1 15: 57 71 43 85 41 56 55 70 99 156 114 98 69 40 54 0.721 16.59 0.9 92 96 73 94 156 8.8 2.498 0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1016 Nonanal 16.7858 1108.4 8.5 scans 91% 57 m/z (139) 0.19% 0.230% 2185 1.3 341 212105 18226441 16614085 7-4 20: 57 41 56 43 55 98 70 44 69 82 68 95 96 81 67 39 42 71 54 83 0.991 16.82 86.0 81 99 99 100 124 23.0 0.456 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9735 1116.3 9.3 scans 43% 71 m/z (126) 1.3% 0.0220% 2217 1.0 102 30935 1743444 1559648 1-4 12: 71 95 110 43 251 58 252 84 69 70 128 113 0.705 16.97 91.6 70 92 82 97 128 23.9 5.545 0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1074 Benzeneethanol 17.1093 1122.1 14.1 scans 73% TIC 0.32% 0.0405% 2240 0.6 138 127097 3210048 2989256 0-2 0.936 17.05 96.1 80 99 91 99 122 48.1 12.098 0.057 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0898 1163.5 10.4 scans 72% TIC 0.63% 0.0313% 2406 1.2 126 64905 2478769 2202160 9-3 0.872 18.13 -168.2 79 99 84 98 355 57.2 20.665 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3626 1175.0 7.5 scans 13% 281 m/z (109) 11% 0.000906% 2452 1.6 23 3650 0.000934% 71714 71714 73909 0-0 3: 281 283 282 0.515 12.25 21.9 73 87 23 84 281 15.3 42.340 6.112 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN M4942-N1002 ? Pyranone 18.5036 1181.0 10.7 scans 29% 72 m/z (85) 4.6% 0.00454% 2476 1.3 43 8852 359847 321212 2-3 7: 72 144 43 101 44 111 73 0.565 20.04 -209.5 71 98 77 97 144 19.8 20.694 -1.538 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7043 1189.4 8.4 scans 39% 111 m/z (113) 6.2% 0.00616% 2510 1.4 58 6557 488069 430492 2-0 13: 111 98 82 69 125 43 126 107 99 72 95 70 110 0.776 18.71 138.6 68 98 78 95 153 0.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8390 1195.1 9.1 scans 36% 70 m/z 3.0% 0.00889% 2533 0.9 72 13408 703998 648589 3-2 15: 70 83 41 69 57 42 97 84 96 107 94 67 53 72 112 0.608 18.83 142.4 71 98 61 96 122 6.7 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1288 1207.4 8.5 scans 38% 82 m/z (77) 2.4% 0.00606% 2582 1.1 56 16518 480099 435541 1-8 2: 82 54 0.841 19.12 150.3 74 98 92 98 97 9.1 2.655 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7557 1233.9 10.5 scans 21% 119 m/z (126) 1.5% 0.00935% 2689 1.1 63 27182 739908 681103 2-3 4: 119 91 134 120 0.855 13.76 34.4 71 78 68 78 134 23.5 14.073 5.999 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8272 1236.9 10.4 scans 83% 57 m/z 0.21% 0.109% 2700 0.8 228 191124 8684979 8048247 2-4 20: 57 45 41 75 87 56 89 72 101 59 100 85 43 58 71 44 73 60 55 132 0.973 19.81 169.4 78 97 93 100 144 5.8 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1004 Dodecane 20.3160 1257.5 10.7 scans 28% 57 m/z (55) 4.7% 0.00416% 2783 1.3 43 8684 329235 297939 2-1 7: 57 71 85 70 99 170 112 0.801 20.32 -0.2 83 91 75 88 170 6.2 2.079 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1034 ? Decanal 20.5273 1263.9 8.1 scans 84% TIC 0.65% 0.0688% 2819 1.0 205 62062 5445573 4955489 4-2 0.953 20.57 -143.1 74 93 95 99 138 11.1 0.293 -0.042 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5273 1263.9 8.2 scans 85% 57 m/z 0.66% 0.0706% 2819 1.0 206 61910 5588855 5138911 4-3 20: 57 41 43 55 70 82 71 68 56 83 112 44 81 69 67 95 96 42 84 39 0.960 20.56 185.2 74 91 94 99 128 18.1 0.777 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1266 ?? Octanoic acid 20.9057 1275.3 17.3 scans 38% 60 m/z (81) 3.4% 0.0134% 2883 1.4 59 12001 1060539 939125 2-1 6: 60 73 85 84 87 74 0.808 22.03 -33.8 62 75 62 79 175 0.0 0.000 -1.128 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N407_R~1-N1120 ? Caryophyllene oxide 20.9712 1277.2 8.3 scans 4.7% 135 m/z (60) 8.8% 0.00150% 2894 1.6 30 4644 118735 118735 0-0 5: 135 150 115 134 50 0.055 32.87 16.9 70 81 13 74 206 0.0 0.000 -11.902 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9937 1277.9 8.2 scans 61% TIC 1.1% 0.0206% 2898 0.9 131 35424 1635576 1473881 2-1 0.905 21.00 192.6 61 80 72 80 155 0.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1006 ? Arosol 21.0787 1280.5 9.4 scans 64% 94 m/z (87) 0.33% 0.0357% 2912 0.9 132 121356 0.0386% 2827741 2622022 3054471 0-3 14: 94 138 77 95 66 51 65 107 78 50 139 63 62 38 0.872 20.98 195.5 77 99 90 99 152 0.0 0.000 0.096 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8455 1363.5 8.6 scans 42% 57 m/z (72) 2.4% 0.0146% 3381 1.4 77 16463 1160721 983830 2-4 6: 57 85 56 84 58 184 0.577 23.86 -0.5 75 92 69 91 184 8.7 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 24.0581 1370.5 14.8 scans 59% 60 m/z (341) 0.88% 0.0635% 3417 1.3 141 46533 5026948 4664347 2-2 18: 60 57 55 115 129 41 98 79 61 70 69 42 40 116 130 158 87 137 0.834 22.70 -104.8 70 93 91 98 158 8.6 0.372 1.362 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1071 1372.2 7.3 scans 59% 341 m/z 0.29% 0.0597% 3425 1.0 199 140937 4724143 4472331 2-2 18: 341 429 342 325 343 147 430 431 326 207 327 344 432 75 237 193 249 191 0.910 24.17 -151.6 79 99 89 99 429 62.4 9.848 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5775 1387.9 8.3 scans 57% 71 m/z (78) 1.5% 0.0143% 3505 1.1 89 26473 1137506 1058952 2-2 16: 71 57 85 43 127 155 113 84 99 70 56 169 112 86 126 156 0.945 24.54 250.6 73 98 92 96 169 9.7 0.000 0.036 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.8491 1397.0 10.3 scans 49% 43 m/z 1.5% 0.0116% 3551 1.1 85 26111 919577 875741 1-0 20: 43 83 41 82 55 70 58 113 69 84 39 128 111 143 115 127 93 57 67 71 0.791 24.70 257.4 71 94 74 95 170 3.5 0.000 0.153 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2429 1410.1 7.1 scans 41% 43 m/z 0.80% 0.00811% 3618 1.0 76 51011 641808 595946 4-1 10: 43 145 103 116 115 86 74 56 44 158 0.769 25.24 -149.8 75 98 92 97 145 29.0 14.445 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1004 Nicotine 25.5729 1421.1 >22 scans 95% TIC 0.0056% 10.1% 3674 0.1 1576 7269077 803401378 778265775 0-2 1.000 25.89 264.1 80 99 99 99 162 454.4 8.315 -0.319 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0233 1436.2 7.8 scans 3.6% 145 m/z (168) 6.8% 0.00146% 3750 1.1 28 5947 115742 105305 1-2 3: 145 160 115 0.585 27.08 -186.6 61 90 60 89 160 12.4 19.248 -1.054 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0989 1472.1 6.7 scans 36% 221 m/z (178) 3.1% 0.00522% 3932 0.9 61 12856 413302 384865 2-1 13: 221 147 73 355 267 443 356 281 163 283 269 444 205 0.818 27.12 297.2 71 95 80 94 355 11.9 3.870 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1679 1474.4 7.9 scans 70% 57 m/z (163) 0.60% 0.0317% 3944 1.1 139 67457 0.0539% 2515638 2433503 4265181 1-0 18: 57 71 85 43 41 99 56 55 70 141 126 98 42 86 112 113 127 198 0.970 27.21 -1.4 95 98 95 97 198 17.2 1.540 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1032 ? Myosmine 27.9318 1503.0 11.1 scans 66% 118 m/z 0.30% 0.0743% 4073 2.2 172 134540 5881560 5509922 1-2 20: 118 146 145 105 78 51 104 119 147 117 65 58 42 63 76 64 77 90 89 50 0.896 27.93 316.3 78 98 86 98 146 79.8 21.433 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3763 1519.7 8.6 scans 37% 80 m/z (123) 1.3% 0.00886% 4149 1.1 69 30524 701736 671432 3-2 5: 80 171 104 53 170 0.809 28.39 326.3 72 98 87 97 171 32.8 22.357 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6579 1530.3 8.0 scans 87% TIC 0.076% 0.280% 4196 0.9 400 538574 22159092 18909484 5-12 0.967 28.67 332.9 79 98 96 98 194 26.6 0.441 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1036 ?? UNK Hydrocarbon 29.10min 29.0900 1546.5 7.5 scans 73% 71 m/z (111) 0.24% 0.112% 4269 1.2 259 170128 0.135% 8893249 8502915 10682735 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 183 84 177 69 97 220 72 42 0.955 29.10 342.6 68 92 93 91 227 4.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5009 1562.0 8.3 scans 91% 281 m/z 0.020% 1.39% 4339 0.9 905 2010852 110750679 102054457 2-2 20: 281 73 147 282 415 503 399 221 416 325 505 342 343 133 265 249 131 223 117 295 0.987 29.61 -151.1 79 98 96 99 503 156.4 2.990 -0.113 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6349 1567.0 10.7 scans 69% 158 m/z 0.023% 0.722% 4362 0.8 578 1710050 57158539 55047023 1-4 20: 158 157 130 159 116 117 89 156 63 90 104 143 78 131 51 142 42 62 50 80 0.924 29.68 354.4 79 98 89 98 158 330.4 32.700 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7536 1571.5 7.8 scans 59% 123 m/z 0.099% 0.0776% 4382 0.9 223 412981 6144122 5622351 1-3 10: 123 135 124 107 95 109 79 125 53 153 0.901 29.77 357.5 78 99 88 98 193 19.1 0.730 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9354 1578.3 9.0 scans 74% 71 m/z (124) 0.24% 0.125% 4412 0.8 243 168228 9918598 9125021 1-2 19: 71 85 57 43 99 113 69 127 41 155 55 84 70 56 169 42 112 141 72 0.980 29.94 361.9 77 99 98 100 254 7.5 0.094 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1010 Pentadecane 30.3185 1592.7 8.0 scans 42% 57 m/z (183) 1.0% 0.0220% 4477 1.3 115 39018 0.0261% 1743746 1690131 2065329 1-3 16: 57 71 43 85 41 56 212 55 99 98 42 155 113 72 126 213 0.941 30.38 -2.2 83 84 91 94 212 14.0 1.490 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4915 1599.7 8.3 scans 81% 191 m/z 0.044% 0.209% 4507 1.0 355 915277 16602354 15551068 2-3 19: 191 206 192 57 163 74 175 41 91 115 107 207 88 73 77 147 128 161 117 0.959 30.50 374.9 80 99 95 99 206 96.9 7.455 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1098 ?? Olivetol 30.8103 1613.1 8.8 scans 23% 124 m/z (71) 2.4% 0.00962% 4561 0.8 72 16803 761508 725266 3-3 6: 124 137 180 181 168 138 0.886 30.81 383.7 62 86 71 91 180 18.5 6.548 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8528 1614.9 10.2 scans 67% 66 m/z (71) 0.37% 0.0701% 4568 1.7 171 109391 5548796 4859282 4-5 7: 66 118 62 132 38 87 49 0.824 30.88 -1.1 90 93 65 92 204 15.6 0.000 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9248 1617.9 8.8 scans 11% 172 m/z (94) 2.3% 0.00491% 4580 1.5 48 17370 0.00502% 388844 346289 397239 3-0 2: 172 171 0.874 30.93 -0.1 86 94 74 93 171 33.3 47.362 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.1898 1629.1 9.2 scans 78% TIC 0.099% 0.243% 4625 0.8 367 412159 19233074 17835079 2-1 0.963 31.18 394.1 79 98 96 99 180 80.1 4.779 0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5068 1642.4 9.2 scans 68% 43 m/z (125) 0.55% 0.0452% 4678 1.2 151 73139 3583778 3438646 1-1 18: 43 98 111 166 71 127 85 55 82 41 83 99 39 107 67 81 123 59 0.962 31.52 -0.3 93 96 94 97 166 27.4 3.277 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6249 1647.3 8.0 scans 36% TIC 1.1% 0.0114% 4699 1.3 102 34360 908494 839348 0-1 0.669 31.63 -0.4 71 83 62 76 429 11.9 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9142 1659.5 7.7 scans 49% 71 m/z (143) 1.6% 0.0228% 4748 0.7 113 25336 1811633 1680277 1-1 19: 71 57 85 43 55 84 69 99 41 113 70 127 126 111 67 155 97 56 141 0.935 31.92 -0.2 77 85 89 89 219 4.8 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0582 1665.5 6.8 scans 41% 221 m/z (109) 0.91% 0.0191% 4772 1.0 115 44902 1518032 1444789 4-1 17: 221 73 147 295 222 207 355 223 325 281 148 342 343 356 296 74 282 0.795 32.08 -0.9 94 98 88 99 355 20.1 3.037 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2347 1673.0 8.6 scans 62% 57 m/z (117) 0.67% 0.0462% 4801 1.4 148 60734 3657183 3407286 1-1 19: 57 43 71 85 41 99 183 56 55 113 70 105 69 42 97 83 86 212 100 0.938 32.24 -0.1 91 97 94 97 226 6.4 0.189 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4348 1681.4 10.5 scans 53% 57 m/z (149) 1.1% 0.0331% 4836 1.0 123 37090 2626771 2415994 1-1 18: 57 85 71 56 113 41 196 84 99 55 83 197 111 67 127 70 165 86 0.922 32.44 -0.3 87 93 87 92 226 3.4 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6657 1691.1 8.8 scans 65% 205 m/z (190) 1.7% 0.0539% 4875 1.0 168 23715 4268236 4039765 1-3 17: 205 91 93 159 105 107 162 79 147 187 131 145 77 121 202 106 119 0.957 32.67 -0.4 95 98 93 98 220 10.9 0.423 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8640 1699.4 8.1 scans 12% 70 m/z (149) 1.5% 0.00855% 4909 1.3 63 26788 676597 526094 2-3 5: 70 170 152 201 80 0.580 32.87 -0.1 68 89 53 82 186 4.4 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9272 1702.1 7.8 scans 61% 71 m/z 0.13% 0.0588% 4919 0.9 193 309314 4654342 4320196 5-2 15: 71 43 159 111 243 56 155 72 143 98 244 89 173 73 44 0.910 32.93 -0.2 95 97 93 97 243 31.3 2.639 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0842 1708.7 7.0 scans 43% 83 m/z (99) 3.3% 0.0148% 4946 0.9 99 12258 1177458 1104478 0-1 19: 83 97 55 69 111 57 70 41 43 56 84 96 85 98 71 125 110 54 82 0.874 33.09 -0.0 89 93 95 96 224 2.3 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3038 1717.9 7.3 scans 76% 57 m/z (197) 0.32% 0.0689% 4983 0.8 205 124604 5458262 5078981 4-1 20: 57 71 43 85 41 55 99 56 70 113 69 83 84 226 42 98 112 140 58 127 0.972 33.37 -2.9 94 98 98 98 226 20.9 1.038 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8894 1728.2 7.1 scans 32% TIC 1.4% 0.00611% 5082 1.0 91 27622 484207 430512 1-1 0.718 33.90 -0.1 90 94 73 91 197 19.6 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2607 1733.5 >10 scans 30% TIC 1.6% 0.00493% 5145 1.2 77 24626 390389 369462 0-1 0.787 34.27 -0.1 87 93 76 91 211 13.8 3.221 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4485 1736.2 13.8 scans 95% 355 m/z 0.0080% 5.59% 5177 0.4 1444 5086511 442705453 415814491 2-2 20: 355 73 221 147 357 401 222 327 415 403 191 328 399 265 117 249 323 209 383 313 0.998 34.39 453.2 81 99 99 100 415 178.5 1.530 0.059 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7850 1741.0 12.8 scans 89% 91 m/z 0.033% 0.737% 5234 0.3 536 1238148 58337633 56752827 1-1 20: 91 155 199 90 65 184 89 92 44 120 63 137 106 77 39 200 64 134 156 51 0.986 34.79 452.0 80 100 98 99 199 151.6 7.995 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9030 1742.7 8.0 scans 29% 68 m/z (71) 1.6% 0.0204% 5254 0.9 107 24242 1614792 1445645 2-3 1: 68 0.859 34.90 -0.0 90 95 91 98 224 13.6 1.614 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3475 1749.0 8.2 scans 79% 57 m/z (73) 0.24% 0.205% 5329 0.9 337 170141 16239789 14668806 6-1 20: 57 43 69 55 85 56 41 81 126 95 70 111 83 82 67 96 137 109 97 84 0.992 35.35 451.6 76 96 98 100 196 30.3 0.809 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6935 1754.0 8.4 scans 48% 209 m/z (57) 0.69% 0.0470% 5388 1.0 161 58767 3721567 3344710 2-2 14: 209 193 210 181 165 105 167 195 166 175 178 194 104 103 0.945 35.70 451.3 66 88 82 90 224 30.1 3.505 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9261 1757.3 19.1 scans 39% TIC 0.81% 0.0370% 5427 1.0 171 50075 0.0694% 2935478 2852324 5491717 1-0 0.601 35.94 450.9 63 91 42 88 238 5.3 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5158 1765.8 6.7 scans 11% 221 m/z 0.77% 0.0184% 5527 1.1 116 52666 1460673 1322702 3-3 17: 221 73 147 295 281 369 341 327 223 296 148 297 74 370 265 355 283 0.666 36.58 449.3 74 98 69 95 369 21.5 3.437 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1976 1775.5 8.0 scans 49% 209 m/z 0.23% 0.0629% 5643 0.9 197 176705 4977842 4815578 1-2 20: 209 224 181 210 165 167 178 105 166 179 194 103 225 91 77 193 152 115 119 211 0.877 37.20 449.2 78 99 86 98 224 65.5 11.087 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1016 Octadecane 37.2992 1777.0 9.4 scans 57% 71 m/z (246) 0.59% 0.0672% 5660 1.2 173 68556 0.0958% 5317850 4816715 7580786 0-4 20: 71 85 57 43 99 113 55 127 41 84 69 169 155 70 114 56 197 83 141 86 0.969 38.91 -23.0 80 85 93 84 254 3.3 0.000 -1.611 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0572 1787.8 9.0 scans 51% TIC 0.50% 0.0310% 5788 1.2 158 81247 2454361 2238425 1-1 0.850 38.06 448.1 76 97 84 95 225 30.6 3.735 0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.6103 1795.7 10.1 scans 96% 73 m/z 0.011% 3.17% 5882 0.7 1241 3523694 250923890 238766228 2-3 20: 73 429 147 221 430 281 341 431 207 222 401 357 342 295 267 282 432 343 459 402 0.998 38.59 447.6 80 99 98 100 429 373.4 9.068 0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1274 1827.0 8.9 scans 18% 159 m/z (187) 4.8% 0.00800% 5970 0.9 62 8373 633801 558888 5-2 12: 159 161 119 105 120 131 160 145 117 146 188 272 0.739 39.14 470.3 68 95 74 93 272 8.1 1.709 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1018 Neophytadiene 39.8801 1920.3 >12 scans 98% 264 m/z 0.014% 4.25% 6097 0.1 1530 2848256 336863974 306327621 1-0 10: 264 191 236 249 210 263 243 117 244 50 0.999 39.94 551.2 80 99 100 99 278 60.5 0.157 -0.056 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4321 1988.7 8.0 scans 38% 149 m/z (81 99) 0.16% 0.0477% 6191 0.9 169 254681 3777208 3651219 1-3 9: 149 150 104 223 76 167 205 132 50 0.934 40.31 613.8 73 97 93 99 223 34.6 4.160 0.127 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1110 Phytol 40.4722 1993.7 7.2 scans 71% 81 m/z (196) 0.29% 0.163% 6198 0.9 325 138416 0.200% 12914169 11998883 15826275 9-3 17: 81 82 95 68 123 69 55 67 79 83 96 109 41 124 97 110 111 0.992 40.66 -23.5 93 96 97 96 278 33.9 1.088 -0.190 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 40.6056 2010.2 7.3 scans 28% 221 m/z (69) 1.5% 0.0149% 6220 1.1 97 26204 1186841 1117998 4-2 19: 221 73 147 295 281 222 369 207 208 283 148 282 74 355 415 371 370 341 249 0.755 44.32 562.9 68 94 76 97 369 16.1 2.732 -3.714 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6056 2010.2 7.3 scans 21% 221 m/z 1.5% 0.0104% 6220 1.1 85 27234 826453 778514 4-2 19: 221 73 147 295 281 222 369 207 208 283 148 282 74 355 415 371 370 341 249 0.785 40.63 630.1 69 94 74 94 369 16.0 3.573 -0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1254 Phytol 40.8966 2046.3 8.0 scans 79% 82 m/z 0.25% 0.185% 6270 1.2 347 160917 14665911 14055628 1-3 20: 82 81 95 68 123 57 43 69 79 83 67 96 71 41 97 109 278 124 111 110 0.939 40.87 3.6 99 99 94 98 278 46.0 1.760 0.030 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.1564 2078.5 10.0 scans 39% 109 m/z 0.62% 0.0768% 6314 1.0 196 65802 6084299 5414908 3-2 17: 109 191 262 81 43 123 95 121 177 107 244 229 135 137 125 151 93 0.661 41.13 690.7 74 95 58 93 262 49.9 6.502 0.027 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1018 ?? Nonadecane 41.2668 2092.2 12.1 scans 31% 97 m/z (219) 2.2% 0.0325% 6332 1.1 112 17860 2574345 2237272 2-1 19: 97 55 83 57 264 85 81 71 108 70 96 56 74 72 43 69 155 211 210 0.867 41.48 -26.8 60 71 78 70 268 0.0 0.000 -0.216 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2715 2092.8 >10 scans 27% TIC 1.7% 0.0124% 6333 1.5 107 23782 987694 899396 1-1 0.542 41.26 1.8 76 85 58 83 264 8.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4681 2117.2 7.9 scans 60% 205 m/z (84) 0.57% 0.0952% 6366 0.8 235 70766 7534226 6969015 2-3 16: 205 217 189 177 220 175 91 261 203 191 206 233 232 161 115 163 0.906 41.49 -79.4 83 100 91 99 276 16.5 0.489 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1006 ? UNK diterpene 41.76min 41.6204 2126.7 8.1 scans 29% 187 m/z (69) 0.53% 0.0530% 6392 1.2 171 75993 4201248 3854570 2-4 10: 187 159 272 160 145 188 273 131 117 215 0.804 41.76 729.0 72 96 70 95 272 54.9 10.289 -0.141 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0242 2149.4 7.7 scans 85% 74 m/z 0.054% 0.347% 6460 0.9 474 746546 27495849 26556824 1-2 20: 74 87 143 43 55 75 227 41 270 69 57 59 129 239 83 88 101 185 199 97 0.953 42.01 747.4 79 99 95 98 272 10.6 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3235 2166.2 9.2 scans 89% 73 m/z 0.062% 0.442% 6511 1.1 483 658737 35029629 33363154 2-3 20: 73 147 221 355 429 503 207 341 430 356 283 504 415 74 148 431 295 505 342 327 0.975 42.37 757.2 74 92 94 99 503 81.9 2.877 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0124 2204.9 8.0 scans 79% 82 m/z (180) 0.090% 0.142% 6628 0.9 286 451963 11289557 10351499 2-3 15: 82 81 95 43 83 41 109 292 96 53 94 137 67 108 135 0.979 43.03 782.8 68 90 94 92 292 36.1 1.594 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN N406_R~1-N1112 Phyllocladene 43.1895 2214.8 8.1 scans 38% 187 m/z (257) 1.3% 0.0261% 6658 0.9 120 31450 2069587 1848442 6-1 18: 187 161 134 272 105 159 91 188 162 273 163 189 160 146 93 119 115 117 0.830 43.24 -2.6 95 98 84 98 272 29.7 6.116 -0.047 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1238 ? Trachylobane 44.1541 2269.2 >11 scans 15% TIC 7.4% 0.00195% 6821 1.7 49 5505 0.00461% 154382 143834 364796 0-1 0.378 44.15 -0.1 75 82 39 79 272 7.1 2.114 0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1234 Thunbergol 45.1730 2327.9 9.3 scans 48% TIC 0.37% 0.152% 6994 1.1 285 109572 12098997 10712055 3-5 0.574 44.90 15.7 88 91 56 89 272 25.9 0.000 0.272 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7852 2363.1 7.7 scans 64% 73 m/z (204) 0.51% 0.0457% 7097 1.0 164 79098 3623059 3292934 2-2 20: 73 355 147 221 281 356 357 207 429 222 282 342 74 295 148 415 503 283 430 265 0.881 45.78 0.5 96 99 90 98 503 16.0 0.956 0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1026 ? Methyl stearate 45.9150 2370.6 >9 scans 40% TIC 1.1% 0.00868% 7119 1.0 99 34665 0.0246% 687327 687327 1946632 0-0 0.796 45.92 891.9 73 96 80 95 298 17.4 3.091 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN TAB_REP1-N1230 C18:3-butanoate 46.1010 2381.3 8.0 scans 68% 79 m/z (72) 0.72% 0.0585% 7151 1.1 181 56873 4630261 4217202 2-5 20: 79 67 95 93 80 108 81 55 91 107 41 94 77 121 135 78 59 109 292 122 0.931 46.13 -1.9 91 96 94 97 292 13.7 0.572 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN HCMIX_~1-N1022 Henicosane 46.1831 2386.0 8.8 scans 25% 57 m/z (222) 2.6% 0.0101% 7165 1.1 62 15633 0.0111% 800178 728880 878358 0-2 18: 57 71 99 43 296 183 113 168 127 211 155 197 100 169 210 56 141 154 0.675 46.28 -5.7 80 89 60 83 296 4.4 0.000 -0.099 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1024 ? Methyl stearate 46.7604 2419.2 7.9 scans 49% 74 m/z (180) 1.0% 0.0179% 7262 1.1 101 37289 1420646 1305040 3-4 12: 74 87 143 75 298 255 129 88 59 115 267 256 0.896 46.76 924.1 73 97 87 96 298 19.7 3.775 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5048 2462.1 8.4 scans 24% 138 m/z (207) 6.9% 0.00465% 7389 0.9 51 5875 368531 330007 3-3 5: 138 120 121 139 306 0.818 47.50 949.3 62 92 71 89 168 4.2 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9299 2544.1 7.4 scans 54% 73 m/z (97) 1.8% 0.0107% 7630 1.1 81 22175 854223 802063 2-4 16: 73 147 355 221 281 356 430 431 282 148 429 327 369 283 358 342 0.802 48.95 993.7 70 97 84 98 429 23.2 8.264 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3520 2625.9 7.8 scans 49% 74 m/z (327) 3.0% 0.00724% 7871 1.1 64 13552 573121 507966 2-6 11: 74 87 75 283 143 129 41 88 326 185 199 0.752 50.36 1038.9 62 90 76 88 326 13.6 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8449 2711.8 8.2 scans 48% 73 m/z 2.1% 0.00848% 8124 1.1 71 19179 671120 630152 1-4 20: 73 147 221 429 281 341 355 342 356 222 207 503 430 401 357 295 209 267 431 297 0.714 51.86 1080.9 74 96 70 94 503 12.4 3.002 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8905 3059.7 11.6 scans 34% 341 m/z (295) 5.6% 0.00466% 9148 1.2 42 7241 369051 337418 1-3 8: 341 147 503 221 327 401 222 504 0.550 45.81 1583.2 65 94 64 90 503 6.8 0.000 12.078 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1304 771.8 19.7 scans 69% 77 m/z 0.20% 0.0550% 41 3.3 143 194071 0.0568% 3883935 3759537 4005490 1-1 12: 77 45 78 62 47 75 59 63 61 46 92 86 0.996 4.37 17.8 100 100 99 100 77 122.7 73.846 -0.241 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5791 835.5 >21 scans 61% 208 m/z 0.52% 0.0302% 457 1.9 97 74325 2131801 1978096 2-2 18: 208 165 210 192 103 134 163 89 115 119 149 135 61 194 73 161 176 88 0.701 6.53 -141.3 79 100 83 99 207 75.9 60.791 0.051 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6853 864.3 8.6 scans 95% 55 m/z (108) 0.12% 0.399% 643 1.8 444 307155 28174899 25921539 1-4 20: 55 41 69 83 39 42 57 98 70 97 43 56 80 53 54 79 40 68 38 51 0.992 7.71 9.0 99 100 100 100 98 86.2 3.771 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 12.9954 1002.7 7.8 scans 53% 43 m/z (235) 1.0% 0.0242% 1543 1.3 120 35548 1706910 1559203 1-6 13: 43 108 111 41 55 69 71 134 72 99 58 39 93 0.823 12.22 56.4 78 88 36 99 281 52.5 19.164 0.775 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1018 ?? Contamination 12.25min 12.9965 1002.7 10.5 scans 12% TIC 1.8% 0.00755% 1543 2.3 58 21380 532515 483105 2-2 0.161 12.25 -150.4 64 93 6 87 281 73.2 0.000 0.746 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.3944 1013.5 9.5 scans 83% 81 m/z 0.21% 0.0791% 1611 1.8 197 180579 5580895 4964011 9-4 20: 81 110 53 39 79 67 41 68 65 51 77 82 109 95 66 50 40 55 91 111 0.959 13.22 49.9 90 96 93 99 110 58.7 8.879 0.172 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1022 ?? Octanal 13.6199 1019.6 >10 scans 35% TIC 2.5% 0.00892% 1649 0.9 92 15164 0.0231% 629360 563089 1628993 2-0 0.714 12.96 -155.2 68 97 73 94 110 11.0 0.000 0.665 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1016 ? Limonene 14.4913 1043.2 8.4 scans 59% 68 m/z (60) 0.81% 0.0526% 1797 1.1 170 47863 3714215 3236491 8-4 19: 68 93 67 136 94 121 79 124 107 53 39 92 91 82 77 123 81 80 95 0.920 13.89 67.9 76 87 90 99 136 31.2 3.374 0.599 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.6878 1048.5 16.5 scans 89% 79 m/z 0.14% 0.311% 1830 1.2 316 275986 21969498 20351276 2-3 19: 79 108 77 107 78 90 74 52 105 140 91 82 64 66 80 89 65 53 92 0.989 14.11 69.5 88 100 99 100 108 140.0 19.647 0.579 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.9854 1056.6 9.3 scans 79% TIC 0.12% 0.0948% 1880 1.5 225 314140 6688371 6076311 2-6 0.935 14.44 71.8 87 100 98 100 120 72.9 10.513 0.543 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6518 1074.7 23.4 scans 89% TIC 0.10% 0.164% 1993 1.2 285 378943 0.280% 11572580 10664486 19745372 3-0 0.961 15.17 77.3 86 100 98 100 123 101.1 12.612 0.482 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.6701 1075.2 12.1 scans 3.2% 94 m/z (105) 3.2% 0.00598% 1996 1.1 49 11966 422291 393440 2-3 3: 94 109 45 0.272 16.11 -195.0 67 97 75 96 109 27.4 30.735 -0.439 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN 98-86-2 ? Acetophenone 15.7345 1076.9 11.3 scans 74% 105 m/z 0.14% 0.106% 2007 1.1 243 267278 0.185% 7505998 7030559 13046049 0-2 20: 105 77 120 51 53 43 106 50 121 78 74 76 107 63 89 65 62 75 61 91 0.976 15.29 -168.8 79 98 96 99 120 84.7 12.139 0.441 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.8720 1080.6 8.8 scans 56% 95 m/z 0.35% 0.0505% 2030 1.6 172 109712 3564445 3190863 1-3 17: 95 81 124 43 79 91 119 53 109 39 65 82 96 66 63 51 120 0.774 15.43 78.9 74 90 80 97 124 52.2 9.206 0.439 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1028 ? p-Cymenene 16.6023 1100.6 8.1 scans 18% 132 m/z (113) 6.0% 0.00312% 2154 1.2 43 6444 220116 193430 1-0 8: 132 117 115 92 102 89 116 128 0.855 16.25 -174.0 71 97 82 96 132 22.4 26.806 0.348 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1002 Undecane 16.9588 1115.7 8.3 scans 22% 57 m/z (101) 5.5% 0.00343% 2214 1.2 47 6986 241847 222469 1-0 7: 57 156 56 98 82 127 93 0.750 16.59 15.7 84 95 76 92 156 7.5 0.000 0.372 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1182 1122.4 8.3 scans 83% 57 m/z 0.27% 0.150% 2241 1.2 299 143647 10631968 9419165 7-4 20: 57 41 56 43 55 98 70 44 82 69 68 95 81 96 67 39 42 71 54 114 0.970 16.82 -169.0 78 98 95 97 124 19.0 0.000 0.303 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.3113 1130.6 >11 scans 39% TIC 1.4% 0.0141% 2274 0.9 97 26838 998057 903754 1-1 0.618 16.97 105.9 70 93 72 98 128 23.0 5.668 0.343 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.4063 1134.6 11.4 scans 57% 91 m/z 0.43% 0.0329% 2290 1.3 122 90688 2320056 2100418 7-4 10: 91 122 92 65 89 103 93 63 102 64 0.862 17.05 108.6 79 99 85 98 122 44.8 13.400 0.354 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3207 1173.2 9.9 scans 66% 73 m/z 0.74% 0.0256% 2445 1.5 119 52302 1807068 1723538 2-1 19: 73 267 355 268 356 357 251 193 323 358 179 74 249 340 339 270 75 78 137 0.846 18.13 -158.5 78 98 83 98 355 50.0 17.802 0.190 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1018 ? Pyranone 18.5616 1183.4 10.5 scans 48% 144 m/z (125) 2.8% 0.0105% 2486 1.1 71 13532 742723 678202 1-5 9: 144 43 101 44 72 73 45 54 58 0.900 18.22 139.9 73 97 91 96 144 31.6 19.960 0.341 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN M4942-N1002 ? Pyranone 18.5616 1183.4 10.5 scans 43% 144 m/z 2.8% 0.00815% 2486 1.1 67 13588 574737 524810 1-5 9: 144 43 101 44 72 73 45 54 58 0.891 20.04 -207.1 75 96 79 95 144 31.6 22.478 -1.480 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.9536 1200.0 8.6 scans 43% 111 m/z (152) 8.6% 0.00520% 2552 1.1 55 4519 366897 320937 2-2 10: 111 98 55 82 100 125 126 112 110 96 0.855 18.71 149.2 69 96 87 94 153 0.0 0.000 0.248 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 19.0569 1204.3 9.7 scans 54% TIC 3.5% 0.00972% 2570 1.4 85 11022 686066 614640 1-2 0.800 18.83 151.6 73 99 89 98 122 6.8 0.000 0.227 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3361 1216.1 9.2 scans 32% 82 m/z (88) 3.6% 0.00472% 2617 1.3 50 10706 332862 294673 1-5 2: 82 54 0.714 19.12 159.0 66 91 84 94 97 8.2 2.638 0.215 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1024 ? p-Cymene 19.9518 1242.1 10.0 scans 31% 119 m/z (57) 2.2% 0.00708% 2721 1.2 59 17129 499588 465821 2-2 6: 119 91 134 120 92 52 0.702 13.76 42.6 71 83 68 83 134 22.3 14.204 6.195 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 19.9790 1243.3 9.2 scans 36% 57 m/z (128) 2.7% 0.00893% 2726 1.3 67 13990 629834 542684 5-5 12: 57 45 101 75 89 87 100 71 72 73 60 110 0.886 19.81 175.8 66 92 88 94 144 0.0 0.000 0.165 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 20.3444 1258.4 17.0 scans 74% 60 m/z (96) 0.76% 0.0662% 2788 0.5 141 50871 4672268 4299512 1-3 20: 60 73 55 101 41 84 87 85 43 61 69 54 42 45 39 56 57 86 83 98 0.949 22.03 -50.7 67 75 79 82 175 0.0 0.000 -1.690 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1004 ?? Dodecane 20.4754 1262.4 11.9 scans 11% 98 m/z (96) 8.4% 0.00174% 2810 1.7 28 4642 122897 116303 2-0 4: 98 57 71 85 0.392 20.32 4.7 67 93 52 87 170 4.1 0.000 0.155 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 20.6148 1266.5 >30 scans 61% 105 m/z 0.69% 0.0589% 2833 1.3 119 56615 4159116 3886653 1-1 11: 105 122 77 123 51 78 75 76 52 121 91 0.941 20.03 195.8 74 94 90 94 122 60.2 25.741 0.586 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1034 ? Decanal 20.6821 1268.6 8.1 scans 56% 57 m/z (77) 1.1% 0.0450% 2845 1.1 165 33877 3175769 2901796 3-2 19: 57 41 55 43 82 70 71 112 83 81 68 44 67 56 69 96 84 42 109 0.953 20.57 -138.4 75 98 97 99 138 8.6 0.274 0.113 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.6821 1268.6 8.1 scans 54% 57 m/z 1.1% 0.0399% 2845 1.1 163 33557 2817837 2574743 3-2 19: 57 41 55 43 82 70 71 112 83 81 68 44 67 56 69 96 84 42 109 0.936 20.56 189.9 77 98 96 99 128 14.3 0.777 0.119 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1006 ?? Arosol 21.1254 1281.9 9.1 scans 22% 133 m/z (137) 1.4% 0.00918% 2920 2.2 72 27404 647759 639999 0-1 8: 133 66 84 144 98 150 38 149 0.683 20.98 196.9 61 90 70 95 152 5.8 0.000 0.142 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1066 ? b-Cyclocitral 21.1520 1282.7 9.0 scans 76% 137 m/z (133 83) 1.1% 0.0482% 2924 1.1 165 34517 3406002 3273214 1-1 18: 137 152 109 123 81 67 91 95 65 41 39 93 107 66 53 119 153 121 0.967 21.00 197.4 73 97 93 98 155 0.0 0.000 0.151 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9967 1338.0 9.6 scans 58% 69 m/z (57) 0.70% 0.0377% 3237 1.1 138 55784 2661441 2451906 3-2 13: 69 43 109 86 41 67 118 95 53 127 108 87 132 0.766 22.91 224.4 71 97 88 96 127 17.7 1.660 0.084 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1006 ?? Tridecane 23.0392 1339.3 9.1 scans 25% 57 m/z (69) 2.1% 0.0100% 3244 0.6 70 18171 710156 634722 3-3 8: 57 85 99 155 113 169 145 141 0.516 23.86 -24.7 68 80 55 78 184 0.0 0.000 -0.823 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.8439 1363.5 >20 scans 87% 60 m/z 0.10% 0.612% 3381 0.1 439 386743 43217681 39113108 1-13 20: 60 73 57 55 41 43 115 129 98 69 39 87 61 45 56 101 42 83 74 70 0.983 22.70 -111.8 76 94 93 99 158 30.1 0.472 1.148 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.8439 1363.5 >20 scans 87% 60 m/z (136) 0.10% 0.657% 3381 0.1 440 390242 46397530 41990953 1-13 20: 60 73 57 55 41 43 115 129 98 69 39 87 61 45 56 101 42 83 74 70 0.990 25.35 214.3 74 94 93 99 162 0.0 0.000 -1.510 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1561 1373.8 7.6 scans 65% TIC 0.37% 0.0389% 3434 0.8 170 103735 2745276 2439411 4-11 0.912 24.17 -150.0 79 99 89 99 429 47.0 7.615 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.8244 1396.1 10.8 scans 62% 43 m/z (71) 1.3% 0.0268% 3546 0.6 109 29915 1895918 1714678 2-2 16: 43 83 55 82 41 113 85 56 142 39 67 57 100 97 128 40 0.936 24.70 256.5 72 94 94 97 170 4.4 0.000 0.128 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9555 1400.5 13.9 scans 25% 71 m/z (125) 7.4% 0.00460% 3568 2.2 44 5214 324785 297287 1-1 9: 71 85 57 43 169 56 113 99 72 0.709 20.36 0.3 66 83 73 81 170 0.0 0.000 4.597 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2737 1411.2 7.5 scans 25% 43 m/z 1.4% 0.00438% 3623 0.7 57 26165 309110 281495 4-2 10: 43 84 116 145 115 103 125 126 144 155 0.655 25.24 -148.7 66 95 86 95 145 22.0 15.017 0.032 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5977 1422.0 >25 scans 96% 84 m/z 0.0055% 9.05% 3678 0.3 1497 7104924 638629330 608164489 0-3 20: 84 133 162 42 85 82 134 65 63 39 105 120 77 55 104 52 132 41 106 50 1.000 25.89 265.0 79 98 98 99 162 410.2 7.513 -0.294 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1031 1472.3 >8 scans 28% TIC 4.4% 0.00214% 3933 79.4 57 8875 0.00892% 151404 140916 629031 0-1 0.839 27.12 297.4 72 95 86 95 355 10.2 3.209 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.1999 1475.5 >7 scans 60% TIC 1.1% 0.00850% 3949 0.9 101 33034 0.0365% 599716 569545 2573950 1-0 0.896 27.21 -0.3 93 96 85 94 198 12.9 1.635 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0494 1507.4 26.2 scans 77% 105 m/z 0.53% 0.0636% 4093 0.7 156 73659 0.0837% 4490445 4333265 5902456 1-0 16: 105 92 147 63 84 116 77 79 157 91 68 142 128 52 67 109 0.944 27.93 320.7 77 96 92 96 146 65.6 17.757 0.118 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4095 1520.9 8.6 scans 33% 80 m/z (59) 1.8% 0.00721% 4154 1.1 66 20819 508781 490282 2-2 9: 80 171 104 53 78 75 172 50 103 0.823 28.39 327.5 70 96 84 95 171 29.3 19.892 0.020 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6769 1531.0 8.1 scans 81% TIC 0.14% 0.146% 4199 1.0 307 277219 10361858 8698376 5-11 0.949 28.67 333.6 79 99 94 98 194 20.2 0.433 0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1055 1547.1 7.5 scans 73% 71 m/z (118) 0.30% 0.0897% 4272 1.2 243 127481 0.113% 6331026 6050206 7968668 1-0 20: 71 57 43 85 41 70 141 113 55 56 112 99 84 183 97 69 179 161 42 140 0.947 29.10 343.2 70 94 93 93 227 4.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5164 1562.5 8.0 scans 92% TIC 0.043% 0.540% 4342 1.1 592 899838 38147091 34983814 2-2 0.979 29.61 -150.6 80 99 97 99 503 83.6 1.997 -0.098 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1022 Nicotyrine 29.6675 1568.2 9.7 scans 60% 158 m/z 0.034% 0.511% 4367 0.8 528 1141331 36073100 34330454 2-2 20: 158 157 130 159 116 117 89 156 90 63 131 104 78 39 51 143 42 142 103 62 0.860 29.68 355.6 80 100 89 99 158 297.5 31.780 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7702 1572.1 7.9 scans 62% 123 m/z 0.12% 0.0702% 4385 1.1 221 315964 4956886 4514015 1-3 13: 123 135 124 107 95 91 79 109 77 125 53 81 93 0.912 29.77 358.1 79 99 90 99 193 18.4 0.695 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9491 1578.8 8.6 scans 73% 71 m/z (179) 0.31% 0.100% 4415 0.8 225 125261 7077976 6574705 1-3 18: 71 85 57 43 99 113 41 69 55 127 84 155 70 56 169 100 42 68 0.984 29.94 362.4 75 97 96 99 254 6.9 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1010 ? Pentadecane 30.3286 1593.1 8.9 scans 32% 57 m/z (79) 1.5% 0.0142% 4479 1.4 95 25336 0.0226% 1005044 1005044 1593734 0-0 17: 57 71 43 85 41 98 126 56 39 55 86 99 197 42 113 122 58 0.860 30.38 -1.8 78 87 84 92 212 12.7 0.000 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5146 1600.7 8.5 scans 81% TIC 0.055% 0.180% 4511 1.3 342 703012 12754893 11726825 1-4 0.951 30.50 375.9 79 99 93 99 206 93.1 7.417 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1016 ?? Nonanal 30.6651 1607.0 8.5 scans 45% 57 m/z 1.3% 0.0233% 4536 1.3 136 29335 1644094 1561731 1-1 20: 57 82 43 41 55 96 68 71 83 69 67 70 85 56 81 44 95 54 154 42 0.820 16.82 584.6 61 84 84 87 124 14.9 1.194 13.850 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8257 1613.8 8.1 scans 27% 137 m/z (71) 2.6% 0.00879% 4564 1.0 72 14522 620075 548014 2-4 4: 137 124 180 138 0.929 30.81 384.4 65 88 73 92 180 19.0 6.955 0.019 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.8906 1616.5 9.4 scans 59% 162 m/z 0.35% 0.0617% 4574 1.4 184 109280 4351274 3979620 2-4 20: 162 147 161 105 148 91 163 119 134 51 133 115 79 58 106 78 145 131 103 65 0.797 30.88 0.5 91 93 66 92 204 19.9 1.167 0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1188 ? trans-p-Dimethylaminocinnamonitrile 30.9420 1618.6 8.8 scans 6.3% 171 m/z (162) 4.2% 0.00286% 4583 1.6 38 9206 202165 184372 3-3 3: 171 172 173 0.451 30.93 0.6 77 95 70 93 171 26.7 50.465 0.015 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2124 1630.0 9.4 scans 72% 111 m/z 0.11% 0.219% 4629 0.7 352 337926 15504009 14170389 3-2 20: 111 137 109 67 180 43 110 124 95 152 79 81 41 39 77 112 69 165 65 53 0.889 31.18 395.0 77 98 87 98 180 80.0 5.179 0.034 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2124 1630.0 9.4 scans 83% 111 m/z (71) 0.11% 0.270% 4629 0.7 376 341485 19077356 17436364 3-2 20: 111 137 109 67 180 43 110 124 95 152 79 81 41 39 77 112 69 165 65 53 0.990 31.20 394.6 71 93 97 94 180 80.6 4.588 0.007 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5146 1642.7 9.6 scans 63% 43 m/z (113) 0.81% 0.0326% 4680 1.2 132 48224 2302623 2215042 1-1 19: 43 98 166 71 111 85 57 55 127 58 59 82 41 83 68 99 39 182 84 0.928 31.52 0.0 94 98 95 98 166 24.5 3.434 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.8086 1655.1 9.2 scans 13% 109 m/z (43) 4.5% 0.00388% 4729 0.7 46 8629 274157 264017 5-0 18: 109 193 59 93 123 107 151 170 68 133 81 75 136 163 137 80 92 77 0.528 31.80 0.6 64 81 41 85 208 9.1 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 8.2 scans 28% TIC 2.2% 0.00721% 4749 1.0 88 17591 509023 480802 1-1 0.585 31.92 0.1 74 85 57 82 219 2.4 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0672 1665.9 6.7 scans 34% 221 m/z 0.94% 0.0159% 4773 1.2 108 41490 1124226 982580 3-10 16: 221 73 147 207 295 222 341 223 355 281 325 297 296 148 265 74 0.787 32.08 -0.5 96 98 82 97 355 18.7 2.973 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2396 1673.2 8.9 scans 60% 57 m/z (169) 0.89% 0.0395% 4803 0.9 139 43906 2791675 2169192 2-5 18: 57 71 43 113 41 56 85 105 55 42 121 196 98 100 177 99 58 211 0.939 32.24 0.1 91 97 96 97 226 5.6 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4403 1681.6 10.8 scans 50% 57 m/z (69) 1.1% 0.0286% 4837 1.0 120 32902 2022882 1927502 0-1 20: 57 85 71 56 196 41 43 55 99 113 108 77 82 153 83 127 105 70 86 109 0.891 32.44 -0.1 84 94 89 92 226 4.0 0.000 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6776 1691.6 8.6 scans 66% 205 m/z (190) 2.2% 0.0473% 4877 1.0 165 17220 3336496 2960110 3-2 20: 205 91 119 105 159 43 93 162 79 107 131 147 106 145 77 146 81 121 133 82 0.949 32.67 0.1 94 97 93 98 220 9.4 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8665 1699.5 7.5 scans 23% 70 m/z (176) 1.3% 0.0123% 4909 1.2 87 28090 869217 759875 2-4 2: 70 202 0.733 32.87 0.0 72 92 76 87 186 4.0 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9314 1702.2 7.9 scans 46% 71 m/z (176) 0.36% 0.0276% 4920 0.8 128 107250 1951883 1793953 2-2 9: 71 43 159 243 155 173 72 143 244 0.909 32.93 -0.1 94 98 92 99 243 19.9 2.403 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0890 1708.9 7.7 scans 43% 83 m/z (196) 3.4% 0.0169% 4947 0.9 104 11196 1198658 1058103 8-1 19: 83 97 57 55 69 43 70 41 56 84 140 71 125 98 67 167 151 112 194 0.844 33.09 0.2 91 98 96 98 224 5.0 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3080 1718.1 7.5 scans 70% 57 m/z (181) 0.45% 0.0536% 4984 0.7 183 85222 3782325 3472823 3-1 18: 57 71 43 85 41 55 99 56 70 69 113 42 84 226 98 141 112 155 0.969 33.37 -2.7 95 99 97 98 226 20.4 1.246 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8937 1728.2 7.6 scans 50% 71 m/z (233) 1.8% 0.0190% 5083 0.9 110 21524 1342189 1196256 8-1 15: 71 57 43 70 85 197 99 196 113 141 56 155 72 42 225 0.854 33.90 -0.1 85 91 90 97 197 19.3 3.060 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2703 1733.6 8.1 scans 35% 57 m/z (173) 1.5% 0.0148% 5147 1.1 96 25748 1047636 1003607 1-2 17: 57 71 85 211 43 212 41 98 210 182 113 119 58 127 141 184 128 0.860 34.27 0.0 90 98 93 96 211 18.0 3.504 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.4338 1736.0 11.5 scans 95% 73 m/z 0.015% 2.46% 5175 0.6 1079 2532929 174042360 165950543 2-2 20: 73 355 147 221 281 357 401 282 415 222 148 149 207 325 403 358 341 339 59 205 0.997 34.39 453.0 81 100 99 100 415 120.2 1.242 0.045 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8075 1741.3 13.7 scans 88% 91 m/z 0.037% 0.745% 5238 0.3 547 1053884 52584930 47937617 1-2 20: 91 155 199 90 65 184 89 92 120 44 137 63 106 77 39 51 64 200 156 109 0.988 34.79 452.3 80 100 98 99 199 152.7 7.802 0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 7.3 scans 38% 68 m/z (71) 1.4% 0.0260% 5254 1.0 129 26737 1835264 1647300 2-4 2: 68 224 0.887 34.90 -0.0 88 90 91 99 224 15.3 1.412 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3494 1749.1 8.3 scans 80% TIC 0.23% 0.208% 5330 0.9 344 165357 14681376 11165272 6-12 0.940 35.35 451.7 78 99 96 99 196 30.0 0.760 0.002 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6865 1753.9 8.6 scans 39% 123 m/z (113) 0.66% 0.0362% 5387 1.2 144 59190 2555943 2332942 4-2 10: 123 209 224 175 165 124 194 131 166 149 0.848 35.70 451.2 71 94 78 95 224 21.9 2.315 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9397 1757.5 9.9 scans 36% 91 m/z (166) 0.46% 0.0578% 5430 1.3 167 84059 4078559 3819179 2-5 17: 91 155 65 148 92 199 44 184 39 93 63 89 156 145 90 110 120 0.612 35.94 451.1 66 95 52 90 238 5.9 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1186 ?? Cotinine 36.1759 1760.9 11.6 scans 13% 98 m/z (71 71) 1.2% 0.0121% 5470 1.6 69 30364 856702 749284 3-4 6: 98 176 78 118 175 132 0.762 36.19 -88.9 62 89 68 87 176 28.6 17.116 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 36.2349 1761.7 6.6 scans 24% 71 m/z 1.2% 0.00771% 5480 0.9 108 32369 543948 497112 0-1 18: 71 57 85 127 43 113 99 183 141 55 83 70 41 56 112 84 169 155 0.777 24.54 624.4 71 94 77 92 169 12.0 1.220 11.693 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5377 1766.1 7.3 scans 30% 221 m/z 0.59% 0.0367% 5531 1.0 164 65443 2593254 2423747 2-2 18: 221 73 147 207 295 222 281 223 369 341 296 208 148 282 297 327 74 370 0.812 36.58 449.6 76 98 86 98 369 23.0 1.976 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1995 1775.5 8.5 scans 28% 209 m/z 0.68% 0.0209% 5642 1.1 118 56663 1478963 1376530 2-1 18: 209 224 181 165 210 167 211 178 225 105 166 194 103 179 193 184 77 119 0.807 37.20 449.2 74 97 77 96 224 40.6 11.947 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.2939 1776.9 9.6 scans 40% 71 m/z 0.69% 0.0315% 5659 1.5 147 56361 0.0449% 2225823 1995918 3166311 0-4 18: 71 57 85 99 113 55 41 169 126 70 155 56 133 86 44 125 197 154 0.730 38.91 -23.1 74 78 70 75 254 0.0 0.000 -1.616 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0596 1787.8 8.6 scans 53% TIC 0.53% 0.0306% 5789 1.1 169 72864 2159947 2063935 1-1 0.882 38.06 448.1 75 97 88 95 225 32.1 3.605 0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.6240 1795.9 9.2 scans 93% 73 m/z 0.025% 1.01% 5884 1.0 760 1521410 71510430 67873472 2-2 20: 73 147 429 221 355 281 430 341 207 431 222 74 357 148 401 282 295 267 342 223 0.991 38.59 447.8 80 99 99 99 429 198.9 6.860 0.033 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1096 ?? Geranyl-a-terpinene 39.1346 1827.8 9.3 scans 18% 272 m/z (132) 3.6% 0.00903% 5970 1.2 68 10574 637434 570341 2-2 12: 272 120 166 146 117 101 118 151 133 131 104 201 0.677 39.14 471.1 61 91 59 89 272 9.8 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8099 1911.6 >8 scans 66% 99 m/z 0.033% 1.70% 6085 0.2 1063 1155602 120069523 110357372 3-0 3: 99 235 166 0.997 39.94 542.5 80 99 99 99 278 58.9 0.308 -0.126 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.4629 1992.5 9.3 scans 25% 149 m/z (81) 0.30% 0.0325% 6196 1.1 132 129793 2295377 2158364 2-2 8: 149 150 104 223 76 167 50 132 0.778 40.31 617.6 72 96 80 98 223 27.0 4.192 0.158 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1110 Phytol 40.5065 1997.9 6.9 scans 55% 81 m/z 0.33% 0.100% 6203 1.0 300 115434 0.115% 7089778 6670444 8109706 7-3 17: 81 82 95 68 123 69 55 67 79 41 109 83 96 97 124 53 111 0.818 40.66 -19.3 89 93 78 92 278 31.4 1.094 -0.155 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1254 Phytol 40.9174 2048.9 7.6 scans 75% 81 m/z 0.38% 0.123% 6273 1.1 306 100716 8720211 8367824 1-3 20: 81 82 95 68 123 57 43 79 69 55 41 83 67 71 96 109 97 124 278 111 0.930 40.87 6.2 98 98 92 97 278 37.6 1.514 0.050 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.1819 2081.7 10.9 scans 77% 109 m/z 0.18% 0.511% 6318 1.6 466 208676 36055850 32534307 5-1 20: 109 81 191 95 262 43 123 121 177 107 41 55 69 229 79 71 93 137 91 67 0.932 41.13 693.9 79 99 91 98 262 92.1 3.903 0.053 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4894 2119.4 8.1 scans 78% 205 m/z 0.29% 0.187% 6370 0.8 355 132779 13206499 12683605 2-1 20: 205 217 57 175 189 220 177 55 232 91 41 203 191 192 109 206 161 77 233 105 0.918 41.49 -77.2 86 100 92 99 276 23.5 0.438 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1006 ?? UNK diterpene 41.76min 41.6400 2127.8 8.5 scans 36% 187 m/z (69) 0.51% 0.0699% 6395 1.2 200 75391 4934564 4629816 2-3 11: 187 159 105 272 161 188 145 131 117 160 173 0.803 41.76 730.1 69 93 68 93 272 56.9 8.094 -0.121 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0272 2149.5 7.8 scans 79% 74 m/z 0.097% 0.202% 6461 1.0 379 401754 14309411 13432148 2-1 20: 74 87 43 143 55 75 41 227 57 69 59 239 129 83 185 101 88 171 199 97 0.937 42.01 747.5 78 98 93 97 272 0.0 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 42.2185 2160.3 9.7 scans 35% 97 m/z (164) 1.6% 0.0342% 6493 1.5 140 23543 2414597 2397408 0-1 19: 97 132 57 138 96 85 71 254 259 73 179 252 70 99 142 272 225 165 127 0.450 42.05 9.7 82 87 26 90 272 12.4 0.000 0.173 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3354 2166.8 7.4 scans 68% 73 m/z 0.26% 0.0695% 6513 1.1 222 149883 4904563 4592606 2-3 20: 73 147 281 221 355 429 207 282 341 503 222 148 283 74 356 415 430 504 327 357 0.919 42.37 757.8 77 98 92 99 503 31.0 1.944 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1260 ?? Diterpene 42.4min 42.4245 2171.9 9.1 scans 20% 257 m/z (272) 4.2% 0.00822% 6528 1.3 70 9136 579818 569865 1-0 10: 257 115 105 274 161 107 119 145 187 87 0.728 42.40 1.5 69 77 58 75 272 9.3 1.760 0.026 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N479_R~1-N1172 ? 3-(4,8,12-Trimethyltridecyl) furan 43.0184 2205.2 8.0 scans 81% 82 m/z (191) 0.073% 0.184% 6629 0.9 338 528256 12976535 11846606 2-3 18: 82 81 95 43 83 41 109 55 96 292 69 53 94 137 67 108 107 135 0.986 43.03 783.1 71 93 96 94 292 40.4 1.429 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1246 ? Thunbergen/Cembrene 43.1731 2213.9 11.0 scans 56% 57 m/z (82) 1.6% 0.0563% 6654 1.4 163 23040 3971964 3709484 1-1 18: 57 55 71 56 43 85 253 135 67 224 97 169 94 197 252 254 84 141 0.690 42.99 10.3 76 82 44 79 272 27.4 0.000 0.183 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N406_R~1-N1112 Phyllocladene 43.1955 2215.1 8.7 scans 42% 187 m/z (57) 1.2% 0.0396% 6658 1.0 151 32051 2799004 2536954 4-0 15: 187 134 161 105 272 119 70 159 188 162 93 189 115 201 145 0.881 43.24 -2.3 92 96 82 95 272 30.1 3.980 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1252 ? Contamination 43.31min 43.3277 2222.6 8.0 scans 17% 93 m/z (134) 9.1% 0.00604% 6681 0.8 62 4251 426088 386915 1-1 15: 93 131 107 77 91 133 145 255 130 79 143 163 227 94 171 0.450 43.31 1.2 76 91 42 86 278 8.9 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5621 2235.7 9.2 scans 46% 81 m/z (263) 2.9% 0.0305% 6721 0.9 124 13317 2155797 1915212 1-3 20: 81 79 216 91 95 257 135 121 148 134 149 119 41 69 105 77 201 109 136 147 0.897 43.55 0.5 93 97 85 95 272 13.6 1.198 0.010 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1238 Trachylobane 44.1707 2270.2 8.3 scans 66% 79 m/z (159) 1.9% 0.0497% 6824 1.0 167 20168 3511805 3129120 10-1 20: 79 81 93 95 91 257 135 119 69 107 121 216 41 134 109 55 77 201 133 67 0.930 44.15 0.9 96 99 93 98 272 19.6 1.368 0.017 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1008 ?? Contamination 40.63min 44.2864 2276.9 7.0 scans 11% 221 m/z (257) 2.8% 0.00636% 6843 1.1 69 13868 449000 430720 0-2 11: 221 73 295 147 281 222 369 296 282 74 370 0.757 40.63 896.8 69 97 80 95 369 12.1 3.124 3.653 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N419_R~1-N1158 ? Manool oxide 44.3065 2278.0 8.9 scans 70% 257 m/z (221) 1.1% 0.0705% 6847 0.9 199 34093 4973480 4509862 2-1 20: 257 275 81 192 177 95 137 67 43 69 109 55 123 258 79 107 93 276 135 121 0.951 43.83 840.4 77 99 94 98 275 48.3 5.880 0.479 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N6_REP1-N1180 ?? UNK Alkene structure 2 45.0031 2318.1 9.6 scans 23% 171 m/z (81) 9.7% 0.00710% 6965 0.9 60 4013 501322 468620 3-1 10: 171 159 157 131 255 270 134 172 227 103 0.619 44.99 857.7 67 96 58 94 270 11.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1234 Thunbergol 45.2144 2330.3 10.4 scans 93% TIC 0.056% 1.75% 7001 0.6 938 693691 123685879 113753847 3-4 0.984 44.90 18.1 83 83 86 83 272 66.8 0.507 0.313 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N6_REP1-N1178 ?? UNK Alkene structure 45.4576 2344.3 15.3 scans 46% 81 m/z (111) 1.5% 0.0330% 7042 1.1 132 25425 0.0484% 2328054 2158144 3413129 3-0 19: 81 43 107 68 79 53 148 162 288 108 151 51 164 161 106 91 187 147 77 0.904 45.47 874.4 66 92 86 91 288 5.2 0.000 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7876 2363.3 8.2 scans 16% 73 m/z 1.8% 0.00921% 7098 1.0 78 21436 649727 600614 3-1 16: 73 355 221 281 356 270 173 207 227 131 282 415 429 341 75 222 0.635 45.78 0.7 88 91 68 89 503 7.4 0.000 0.012 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N419_R~1-N1168 ?? UNK Hydrocarbon ring structure 45.8714 2368.1 10.3 scans 27% 204 m/z (93 245) 1.6% 0.0157% 7112 0.9 85 23020 1108751 974128 6-2 4: 204 80 205 257 0.873 45.98 888.4 62 89 65 88 204 42.3 24.762 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1230 C18:3-butanoate 46.1005 2381.3 8.3 scans 47% 79 m/z (245) 0.88% 0.0485% 7151 1.2 169 43991 3425853 3145770 2-3 19: 79 67 95 93 81 80 108 107 91 121 109 41 94 77 122 149 78 106 135 0.894 46.13 -1.9 82 88 82 90 292 12.7 0.000 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN HCMIX_~1-N1022 ? Henicosane 46.1784 2385.7 7.4 scans 27% 155 m/z (74) 1.7% 0.0113% 7164 1.0 77 21980 0.0130% 799466 700541 916749 1-2 10: 155 99 127 296 141 72 197 182 168 211 0.589 46.28 -6.0 74 88 59 85 296 7.6 0.000 -0.104 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1232 ?? Hydrocarbon 45.6min RI2350 three ring structure 46.3154 2393.6 9.2 scans 43% 81 m/z (71) 2.1% 0.0310% 7187 0.7 120 17904 2188801 1938280 2-1 18: 81 191 79 121 95 105 123 107 65 91 192 119 77 177 67 135 149 109 0.756 45.56 43.2 60 72 54 71 290 0.0 0.000 0.752 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4270 2400.0 >13 scans 32% TIC 2.8% 0.00950% 7206 1.8 78 13612 670052 615729 0-1 0.640 46.49 -4.0 88 90 55 89 290 11.0 2.013 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7575 2419.1 8.0 scans 29% 74 m/z (258) 2.3% 0.00709% 7262 1.0 66 16402 500188 454044 4-7 10: 74 87 185 255 298 267 75 256 199 101 0.799 46.76 924.0 69 95 73 92 298 14.1 4.578 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1020 ?? Contamination 44.32min 47.6767 2472.0 7.5 scans 17% 147 m/z (134) 8.0% 0.00221% 7417 0.9 38 4836 156372 140120 1-5 9: 147 295 73 296 221 369 355 148 297 0.617 44.32 1024.7 64 98 76 94 369 8.5 0.000 3.357 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9093 2485.4 9.1 scans 27% 119 m/z (99) 7.7% 0.00523% 7458 1.7 52 5044 369183 334289 1-1 12: 119 178 213 148 95 79 77 107 93 149 120 128 0.579 47.95 -2.2 81 92 58 88 272 5.9 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN N419_R~1-N1164 ?? 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 48.8526 2539.7 11.9 scans 58% 177 m/z (257) 4.5% 0.0269% 7617 1.2 104 8545 1903845 1695396 5-2 16: 177 109 195 81 121 137 135 71 67 79 82 205 107 110 94 136 0.825 48.96 988.9 69 94 77 92 290 8.6 0.000 -0.110 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9270 2544.0 8.0 scans 37% 355 m/z 2.3% 0.00700% 7629 0.8 68 16818 493907 460216 5-3 18: 355 429 281 283 222 430 74 221 327 431 356 341 295 325 265 358 401 357 0.748 48.95 993.6 75 98 72 97 429 17.8 6.949 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8344 2711.2 8.1 scans 46% 73 m/z 2.1% 0.00784% 8122 1.2 70 18442 553203 520949 2-5 19: 73 147 281 355 430 221 356 148 223 205 282 74 357 341 415 504 222 431 296 0.706 51.86 1080.3 71 95 67 91 503 8.8 0.000 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\RUST_REP6.FIN BLKEND~1-N1014 ? Contamination 45.81min 54.6125 2871.1 11.9 scans 57% TIC 2.4% 0.00917% 8593 1.1 73 16083 647308 604189 1-1 0.782 45.81 1394.6 71 94 77 95 503 7.6 1.076 8.800 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1457 772.2 >22 scans 25% 77 m/z (43) 2.0% 0.0542% 43 2.6 30 9037 212096 194915 3-0 5: 77 92 45 78 79 0.893 4.37 18.2 91 98 87 97 77 27.5 81.843 -0.225 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1016 ? Pivalic acid 6.0477 821.7 8.3 scans 62% 57 m/z (193) 1.2% 0.0692% 366 1.2 47 14938 270612 265785 1-0 10: 57 41 58 87 39 56 45 102 86 59 0.841 6.03 -139.9 74 100 86 98 102 6.2 0.000 0.015 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5176 833.9 11.8 scans 74% 207 m/z 0.31% 0.343% 446 2.7 90 58637 1339987 1264998 1-1 20: 207 208 209 191 133 192 177 96 119 115 75 103 163 147 178 165 161 179 73 176 0.842 6.53 -142.9 79 100 83 99 207 69.9 60.951 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKSTART-N1002 Contamination 12.22min 12.2119 982.2 7.5 scans 78% TIC 0.12% 0.807% 1410 1.6 166 154926 3154586 2594845 2-7 0.882 12.22 35.9 95 100 93 100 281 113.7 46.649 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKSTART-N1004 Contamination 12.42min 12.4062 987.2 7.6 scans 44% 57 m/z 0.46% 0.163% 1443 1.2 80 40237 637437 587905 2-5 15: 57 56 81 41 71 82 138 85 55 139 39 111 112 99 83 0.727 12.42 37.5 84 86 91 100 281 6.2 0.000 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1040 Decane 12.8046 997.6 7.6 scans 39% 57 m/z (59) 4.9% 0.0286% 1511 1.0 33 3759 112098 103548 3-1 5: 57 71 43 85 99 0.764 12.90 -2.4 88 95 73 92 142 4.7 0.000 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1022 ? Octanal 12.9321 1001.0 8.3 scans 54% 85 m/z (103) 5.6% 0.0755% 1532 1.7 51 3322 295137 261747 2-2 18: 85 44 69 57 41 43 56 55 68 82 42 66 81 54 39 71 67 72 0.830 12.96 -173.8 74 98 81 98 110 6.4 1.628 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1024 ? p-Cymene 13.7326 1022.7 8.9 scans 47% 119 m/z (118) 1.5% 0.0596% 1667 1.2 42 12182 232941 199363 4-6 13: 119 134 91 120 102 78 103 92 115 63 105 135 87 0.719 13.76 -176.8 75 98 73 97 134 17.9 17.927 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BMN_RE~1-N1016 ? Limonene 13.8920 1027.0 7.9 scans 29% 68 m/z 3.3% 0.0463% 1695 1.6 45 5602 181060 164471 1-4 18: 68 93 67 41 83 43 91 94 55 39 105 69 70 53 77 136 122 137 0.422 13.89 51.7 70 90 49 90 136 11.3 6.317 0.000 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4546 1042.2 11.6 scans 44% 91 m/z (253) 1.5% 0.0679% 1790 1.9 39 12153 265455 239980 2-2 9: 91 63 65 92 62 39 254 64 122 0.688 14.44 57.4 84 99 73 97 120 14.7 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1813 1061.9 13.1 scans 93% TIC 0.037% 5.28% 1913 2.0 341 494441 20634718 19186266 2-2 0.980 15.17 64.5 89 100 98 100 123 119.3 12.265 0.011 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN GLAU_R~1-N1064 ? Benzoic acid 15.3212 1065.7 >7 scans 31% 120 m/z (85) 0.48% 0.142% 1937 10.0 73 38356 557634 476173 0-3 7: 120 152 121 137 122 106 76 0.602 20.03 -5.0 74 82 53 79 122 20.4 7.758 -4.708 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1002 Undecane 16.6075 1100.9 7.6 scans 87% 57 m/z 0.19% 0.875% 2155 1.2 184 95667 3419208 3210388 1-6 20: 57 43 71 85 41 70 56 55 156 42 84 99 69 126 113 39 86 127 98 53 0.969 16.59 0.9 99 98 96 98 156 25.3 1.891 0.021 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1016 Nonanal 16.7823 1108.2 8.3 scans 91% TIC 0.26% 1.34% 2184 1.5 222 71240 5270116 5010854 1-4 0.982 16.82 85.8 84 100 99 100 124 16.8 0.578 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1006 Contamination 18.13min 18.0739 1162.8 7.7 scans 88% 73 m/z 0.057% 2.72% 2403 1.5 322 325416 10654417 10140345 1-4 20: 73 355 267 356 268 357 269 251 74 155 193 358 339 75 249 170 191 59 323 45 0.928 18.13 -168.9 80 100 92 99 355 134.1 17.359 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1018 ? Contamination 12.25min 18.2487 1170.2 11.9 scans 12% 207 m/z (355) 3.3% 0.0196% 2432 1.5 23 5589 76862 73819 1-0 9: 207 281 283 249 149 193 265 205 113 0.406 12.25 17.1 75 94 41 90 281 21.6 88.101 5.998 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN GLAU_R~1-N1078 ?? 2-Nonenal 18.8478 1195.5 9.7 scans 50% TIC 3.6% 0.0981% 2534 1.1 58 5113 383223 335052 4-1 0.661 18.83 142.8 64 92 68 95 122 2.6 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8225 1236.7 12.7 scans 91% 57 m/z 0.077% 3.81% 2700 2.3 294 238712 14920561 13564350 2-2 20: 57 45 41 75 87 89 56 72 100 101 59 43 85 71 73 55 132 39 61 88 0.974 19.81 169.2 78 96 93 100 144 6.5 0.000 0.008 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1004 Dodecane 20.3148 1257.5 7.9 scans 42% 57 m/z 1.5% 0.0644% 2783 0.9 54 11741 251917 230734 1-2 20: 57 71 43 85 41 99 56 84 98 58 55 127 70 42 126 69 141 170 39 72 0.696 20.32 -0.2 91 94 65 90 170 8.5 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1034 ? Decanal 20.5309 1264.0 15.6 scans 72% TIC 1.6% 0.202% 2819 0.8 90 11324 0.267% 790610 744956 1042950 0-1 0.918 20.57 -143.0 78 99 92 98 138 4.9 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1030 ? Contamination 21.50min 21.4913 1292.9 6.7 scans 67% 281 m/z 0.66% 0.194% 2982 1.1 96 28006 758818 727101 2-1 20: 281 147 73 283 369 148 265 249 207 370 149 74 371 284 191 267 205 208 251 203 0.819 21.50 200.1 79 100 82 98 369 23.4 5.996 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1008 ?? Blank_Cyclohexanone, 4-hydroxy-4-methyl- 22.2169 1314.6 9.2 scans 43% 138 m/z (56) 2.4% 0.0807% 3105 1.0 52 7589 315286 297422 2-2 9: 138 71 128 43 95 123 141 86 142 0.701 17.80 -6.8 61 76 44 76 128 12.0 0.000 4.422 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1040 ? Nonanoic acid 22.6885 1328.8 10.3 scans 48% 60 m/z 1.2% 0.202% 3185 0.9 74 15083 792076 689098 1-6 15: 60 73 87 57 41 129 55 115 61 45 158 69 42 74 111 0.713 22.70 -146.5 75 98 70 96 158 6.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1006 Tridecane 23.8403 1363.3 8.1 scans 43% 57 m/z (110) 2.4% 0.0752% 3380 0.8 52 7730 293946 280065 4-0 14: 57 71 99 41 55 184 56 70 127 42 142 113 126 108 0.650 23.86 -0.7 82 95 70 90 184 7.0 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1036 ?? trans-2,8-p-Mentha-dien-1-ol 24.0002 1368.6 8.7 scans 8.1% 77 m/z (58) 5.8% 0.0231% 3407 1.0 27 3171 90236 72030 3-0 14: 77 54 152 79 95 67 85 157 81 80 108 53 136 110 0.354 21.15 -57.1 64 89 30 84 152 9.4 11.723 2.846 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1002 Contamination 24.17min 24.0923 1371.7 8.8 scans 91% 73 m/z 0.022% 8.25% 3423 1.3 540 819346 32254294 30322701 2-3 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 344 75 251 148 45 59 191 0.962 24.17 -152.1 80 100 96 100 429 156.9 8.457 -0.079 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2216 1409.4 7.8 scans 36% 43 m/z (133) 2.0% 0.0338% 3615 1.1 34 8963 132254 115619 8-2 6: 43 103 116 145 86 115 0.849 25.24 -150.5 72 98 84 97 145 13.0 14.534 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1046 ?? Ethanone, 1-(2,3-dihydro-1H-inden-5-yl)- 26.0298 1436.4 9.0 scans 29% 145 m/z (89) 2.5% 0.0441% 3751 1.5 37 7400 172277 153826 2-5 9: 145 160 116 118 117 161 146 162 75 0.740 27.08 -186.4 67 90 57 90 160 16.1 18.707 -1.047 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1314 1473.2 6.7 scans 76% 221 m/z 0.23% 0.700% 3937 1.0 179 79920 2735265 2556492 2-2 20: 221 73 147 281 267 222 355 148 282 74 443 149 283 207 356 205 191 75 357 249 0.911 27.12 298.3 79 99 92 99 355 31.5 3.090 0.013 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1008 Tetradecane 27.1715 1474.5 8.1 scans 57% 57 m/z (221) 0.78% 0.234% 3944 0.8 91 23691 917301 843386 2-2 13: 57 71 85 43 41 99 55 56 42 198 112 70 127 0.904 27.21 -1.3 92 96 88 95 198 11.2 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1010 Contamination 29.61min 29.5358 1563.3 8.4 scans 87% TIC 0.047% 4.24% 4345 1.1 397 391275 16566565 15251643 2-3 0.924 29.61 -149.8 80 100 97 100 503 62.5 2.482 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1022 ?? Nicotyrine 29.7719 1572.2 14.6 scans 21% 101 m/z (163) 2.9% 0.0452% 4384 1.5 32 6287 176732 176732 0-0 12: 101 77 76 158 62 157 89 71 85 63 159 109 0.498 29.68 359.6 66 97 54 94 158 22.9 52.196 0.090 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1010 Pentadecane 30.3292 1593.1 7.6 scans 59% 71 m/z (168) 1.5% 0.111% 4479 0.9 66 11643 436298 401660 2-3 16: 71 43 85 56 141 70 212 112 99 108 42 126 54 154 86 122 0.864 30.38 -1.8 87 95 84 92 212 8.2 0.000 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN N406_R~1-N1100 ?? Dihydroactinidiolide 31.1981 1629.4 9.9 scans 22% TIC 3.4% 0.0261% 4626 0.6 33 5345 102219 102219 0-0 0.437 31.18 394.4 63 93 45 89 180 10.0 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5435 1643.9 10.7 scans 58% 98 m/z (157) 0.84% 0.232% 4685 1.3 76 22042 908111 833074 1-3 14: 98 166 167 43 107 169 82 83 95 122 124 120 103 108 0.789 31.52 1.2 89 94 73 93 166 18.0 5.670 0.028 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1198 ?? Hydrocarbon 31.9min RI1660 31.9036 1659.1 >7 scans 54% 115 m/z (143) 1.7% 0.0871% 4746 999.0 60 10767 0.133% 340372 309687 519522 0-3 9: 115 183 112 184 69 116 53 137 155 0.790 31.92 -0.6 62 71 60 70 219 1.9 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1200 Contamination 32.08min 32.1161 1668.0 6.6 scans 76% 221 m/z 0.43% 0.325% 4782 1.0 123 43015 1270335 1195603 2-2 20: 221 73 147 222 295 341 355 223 207 208 281 148 74 325 296 342 267 133 205 209 0.877 32.08 1.6 97 98 87 97 355 21.1 2.937 0.037 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1202 ?? Hydrocarbon 32.3min RI1673 32.2407 1673.2 >12 scans 18% 57 m/z (71) 10% 0.0132% 4802 0.6 21 1739 51860 50898 0-1 5: 57 43 183 85 99 0.574 32.24 0.1 61 71 51 66 226 0.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1214 ? Hexadecane, 4-methyl- 32.4396 1681.6 8.5 scans 15% TIC 5.4% 0.0118% 4837 1.6 27 3389 46127 46127 0-0 0.317 33.90 -46.7 70 86 32 80 197 9.7 0.000 -1.456 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4585 1682.4 8.9 scans 31% 197 m/z (119) 3.6% 0.0508% 4838 1.4 37 5082 198720 166529 0-5 8: 197 196 97 125 128 56 70 83 0.599 32.44 0.7 77 84 55 79 226 0.0 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9355 1702.4 7.7 scans 81% 71 m/z 0.065% 1.23% 4921 1.0 224 284780 4817786 4445626 7-2 20: 71 43 159 41 111 56 243 72 69 155 173 55 83 143 98 89 70 73 97 57 0.935 32.93 0.1 92 91 84 98 243 31.7 2.008 0.002 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1012 Hexadecane 33.3139 1718.3 7.9 scans 71% 71 m/z (169) 0.90% 0.208% 4985 0.6 86 20509 816372 727780 3-2 17: 71 85 43 41 141 183 113 69 226 197 98 126 72 112 84 140 154 0.869 33.37 -2.5 91 96 82 93 226 9.8 0.000 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8228 1727.2 7.3 scans 26% 232 m/z 2.8% 0.0189% 5071 1.7 30 6511 0.0200% 74179 70235 78124 0-2 12: 232 218 173 201 233 161 128 189 141 101 116 127 0.648 33.83 452.5 66 94 54 92 232 14.4 22.896 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1024 ? Contamination 34.39min 34.4036 1735.5 7.5 scans 85% 73 m/z 0.17% 0.940% 5169 1.0 197 104025 3673655 3430813 2-2 20: 73 355 147 221 281 356 401 357 222 402 74 282 358 191 207 415 148 283 403 341 0.923 34.39 452.5 78 98 90 98 415 22.4 1.287 0.015 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1026 ?? UNK Plastic 34.79min 34.7625 1740.7 18.8 scans 16% 90 m/z (83) 6.7% 0.0288% 5230 1.6 23 2742 112770 106195 2-1 9: 90 199 64 44 184 89 120 155 39 0.505 34.79 451.7 62 91 54 89 199 8.1 12.397 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8971 1742.6 8.3 scans 49% 68 m/z (85) 3.5% 0.0756% 5253 1.2 52 5228 295460 279963 1-1 8: 68 69 97 110 125 98 139 112 0.748 34.90 -0.1 82 92 77 90 224 5.6 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1212 ? Hexadecene 35.9397 1757.5 7.5 scans 64% 97 m/z (79) 3.1% 0.132% 5430 0.9 71 5925 516315 462288 2-5 18: 97 83 70 55 57 69 71 43 84 111 98 112 67 82 68 140 125 96 0.853 33.09 48.8 78 92 85 93 224 0.0 0.000 2.855 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5755 1766.6 6.9 scans 75% TIC 0.55% 0.319% 5537 1.1 118 33387 0.338% 1246741 1068102 1320289 9-0 0.867 36.58 450.1 78 99 85 97 369 18.7 2.530 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1977 1775.5 8.5 scans 56% TIC 0.90% 0.119% 5643 0.9 71 20616 468480 458394 1-2 0.739 37.20 449.2 76 97 70 96 224 25.3 12.814 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1030 ?? Heptadecane, 3-methyl- 38.0601 1787.8 8.0 scans 42% 57 m/z (149) 3.5% 0.0371% 5789 0.9 37 5299 145058 137975 2-3 14: 57 225 71 43 41 56 99 55 113 141 169 39 81 224 0.630 38.06 448.1 60 87 56 83 225 8.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN TAB_REP1-N1028 ? Contamination 38.59min 38.6109 1795.7 7.3 scans 79% 73 m/z 0.23% 0.618% 5882 1.0 160 78461 2416005 2211258 2-3 20: 73 147 429 221 355 281 430 207 431 341 295 356 74 401 267 148 357 402 222 279 0.874 38.59 447.6 78 98 85 97 429 46.8 8.544 0.020 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN HCMIX_~1-N1016 ?? Octadecane 38.8341 1798.9 7.5 scans 41% 71 m/z 2.5% 0.0428% 5920 0.8 44 7274 167247 158735 2-3 12: 71 57 43 85 42 113 84 72 56 140 125 86 0.643 38.91 -1.1 69 74 51 69 254 5.2 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3134 1974.0 8.3 scans 80% 149 m/z 0.15% 0.452% 6171 1.2 128 118222 1768985 1638607 3-3 19: 149 57 150 223 104 76 41 167 65 122 56 105 93 121 151 77 39 123 51 0.892 40.31 599.1 78 99 90 98 223 26.2 4.214 0.008 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6228 2012.3 6.7 scans 69% 221 m/z 0.91% 0.169% 6223 1.0 89 20351 663797 615388 3-3 20: 221 73 147 295 207 281 222 369 148 282 74 224 355 327 297 296 341 328 371 279 0.809 40.63 632.2 76 100 81 98 369 15.5 3.055 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BQLD_R~1-N1056 ? Homosalate 41.0029 2059.5 >16 scans 18% TIC 9.0% 0.00985% 6287 0.8 20 2050 38502 34546 1-1 0.360 41.00 673.7 70 96 34 91 262 4.1 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLANKB1-N1012 Contamination 41.49min 41.4309 2112.5 7.9 scans 86% 205 m/z 0.35% 1.36% 6360 1.1 230 51778 5340945 5004491 2-5 20: 205 57 217 175 177 220 55 232 41 91 191 261 189 161 192 135 131 159 115 206 0.909 41.49 -84.1 84 100 90 99 276 15.7 0.466 -0.059 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3642 2168.5 7.1 scans 78% 73 m/z 0.36% 0.392% 6518 1.1 131 50474 1534743 1420622 2-3 19: 73 147 281 221 355 341 429 503 282 148 74 430 222 205 295 415 279 193 417 0.857 42.37 759.5 75 98 88 98 503 21.4 2.667 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3147 2278.5 7.0 scans 20% TIC 4.7% 0.0102% 6848 1.1 23 3878 40122 36058 6-0 0.291 44.32 831.2 60 98 30 92 369 8.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8118 2364.6 8.0 scans 66% 73 m/z 1.0% 0.151% 7102 0.9 77 18481 593612 548825 2-3 18: 73 221 355 356 147 207 357 281 283 191 148 535 341 267 430 416 295 429 0.758 45.78 2.0 89 91 70 89 503 8.8 1.306 0.036 G:\GCMS data\Nicotiana diversity panel SPME\STd.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9517 2545.4 7.7 scans 53% 355 m/z 1.6% 0.0769% 7634 0.8 56 11504 300766 269993 3-4 16: 355 73 147 431 429 295 369 341 356 148 325 282 296 342 432 267 0.622 48.95 995.0 74 99 62 95 429 18.2 10.696 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1014 Contamination 6.52min 6.5143 833.9 15.6 scans 65% 207 m/z 0.32% 0.0392% 445 2.6 135 146803 4000206 3822072 1-1 19: 207 208 209 191 192 193 177 210 161 103 147 163 119 165 89 134 178 117 105 0.827 6.53 -142.9 80 100 84 100 207 104.3 59.709 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1002 ? Contamination 4.37min 6.9222 844.5 14.3 scans 44% 77 m/z (177) 0.73% 0.0159% 515 1.0 81 65295 1626336 1402556 3-3 12: 77 59 45 78 62 61 79 75 92 60 63 85 0.882 4.37 90.5 79 100 96 99 77 69.5 73.028 2.551 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N506_R~1-N1176 2-Hexenal 7.6205 862.7 8.8 scans 90% 69 m/z 0.47% 0.0889% 633 2.4 248 101908 9052527 8181146 1-3 20: 69 55 41 83 42 39 57 98 70 43 56 97 80 53 54 79 68 40 51 38 0.985 7.71 7.4 100 100 98 100 98 47.8 3.724 -0.084 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKSTART-N1004 ?? Contamination 12.42min 9.6654 915.9 13.0 scans 4.9% 56 m/z (39) 41% 0.000486% 979 1.4 16 1153 49527 36811 4-3 1: 56 0.348 12.42 -33.8 60 88 75 86 281 0.0 0.000 -2.754 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKSTART-N1002 Contamination 12.22min 12.2163 982.3 11.3 scans 54% 281 m/z 0.39% 0.0368% 1411 2.2 142 120393 3756568 3350385 2-4 20: 281 43 282 191 283 71 99 41 193 265 249 69 133 111 207 284 73 179 251 39 0.624 12.22 36.0 92 97 77 100 281 94.4 44.445 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.2257 1008.9 13.5 scans 81% 81 m/z 0.20% 0.0880% 1582 2.2 213 238102 8969397 7992603 2-2 20: 81 110 53 39 41 67 79 77 68 82 65 51 66 55 40 54 50 95 109 52 0.958 13.22 45.3 92 97 95 99 110 57.8 7.378 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1016 ? Limonene 13.8828 1026.7 8.1 scans 26% 68 m/z (124) 9.1% 0.00259% 1694 1.4 45 5226 264380 234317 3-2 6: 68 93 136 121 107 94 0.750 13.89 51.4 79 95 71 94 136 10.0 4.903 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4383 1041.8 12.0 scans 87% 91 m/z 0.097% 0.137% 1787 1.9 274 494352 13992368 12839020 2-3 20: 91 92 120 65 63 39 89 51 62 50 121 90 93 38 61 74 41 86 66 40 0.983 14.44 57.0 91 100 98 100 120 88.1 10.330 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1068 a-Toluenol 14.7783 1051.0 14.0 scans 67% 79 m/z 0.93% 0.0290% 1845 0.7 123 51074 2955516 2622565 2-4 16: 79 108 107 77 51 90 78 63 50 80 61 105 74 65 54 49 0.871 14.11 72.0 86 99 87 99 108 56.8 21.339 0.669 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1703 1061.6 >12 scans 88% 105 m/z 0.13% 0.112% 1911 1.1 275 358906 11429843 10908347 2-0 20: 105 77 123 46 51 50 106 124 78 74 75 52 73 47 54 63 49 125 76 53 0.984 15.17 64.2 90 100 99 100 123 96.6 12.392 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1064 ?? Benzoic acid 15.2140 1062.8 15.6 scans 2.8% 122 m/z (105) 2.4% 0.00462% 1919 1.5 44 19480 470508 422280 4-3 1: 122 0.349 20.03 -7.9 61 91 20 79 122 38.0 75.857 -4.815 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN 98-86-2 Acetophenone 15.2582 1064.0 12.6 scans 77% TIC 0.11% 0.127% 1926 1.4 302 428608 0.189% 12975602 12064845 19242223 0-2 0.990 15.29 -181.7 80 99 98 100 120 100.9 11.186 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4318 1068.7 10.5 scans 66% 95 m/z 0.26% 0.0733% 1956 2.0 215 179336 7469190 6633528 2-3 18: 95 81 124 43 79 53 109 39 41 82 65 96 55 66 67 125 63 54 0.945 15.43 67.0 85 96 88 96 124 64.8 9.066 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN M4942-N1006 ? 2-Acetylpyrrole 15.6703 1075.2 15.0 scans 25% 94 m/z (61) 5.3% 0.00331% 1997 0.7 42 8977 337635 302351 2-1 7: 94 109 66 75 39 38 107 0.720 16.11 -195.0 71 98 82 97 109 22.7 29.691 -0.439 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1002 Undecane 16.6024 1100.7 8.0 scans 52% 57 m/z (83) 3.3% 0.00548% 2154 1.2 66 14244 558316 488528 2-3 14: 57 71 85 41 56 70 99 82 84 156 113 112 127 98 0.897 16.59 0.7 93 97 91 96 156 9.5 2.070 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1016 ? Nonanal 16.7783 1108.1 9.4 scans 82% 57 m/z (112) 0.67% 0.0596% 2184 1.3 197 70588 6072261 5327410 5-3 20: 57 41 56 55 43 98 70 44 82 69 95 96 67 81 39 71 114 54 45 68 0.974 16.82 85.7 79 98 96 98 124 10.8 0.000 -0.037 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.5180 1139.3 10.4 scans 70% 91 m/z 0.50% 0.0229% 2309 1.2 129 95765 2334063 2094314 4-4 18: 91 92 122 65 123 51 63 89 93 103 77 78 104 285 38 62 66 50 0.929 17.05 113.3 78 99 91 99 122 43.4 11.389 0.466 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1019 1164.0 11.0 scans 73% 73 m/z 0.46% 0.0385% 2408 2.2 157 102813 3924659 3581928 2-2 19: 73 267 355 356 268 357 193 74 191 269 270 251 358 59 265 179 45 203 85 0.875 18.13 -167.7 78 98 84 98 355 67.2 18.243 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7034 1189.4 7.7 scans 28% 98 m/z (75) 8.5% 0.00354% 2510 1.0 59 5642 361360 361360 0-0 16: 98 111 82 55 43 69 41 100 95 67 71 107 99 81 56 80 0.872 18.71 138.6 70 98 87 96 153 1.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8344 1194.9 8.9 scans 66% 70 m/z 2.6% 0.0150% 2532 1.2 112 18002 1527230 1422184 2-3 19: 70 55 41 83 43 69 57 39 84 81 96 54 56 97 67 58 93 42 94 0.898 18.83 142.2 72 94 89 99 122 8.4 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1018 ?? Contamination 12.25min 18.9584 1200.2 11.6 scans 5.7% 282 m/z (69) 24% 0.000315% 2553 1.2 21 1980 0.00100% 32076 32076 101811 0-0 2: 282 281 0.466 12.25 47.1 62 79 35 81 281 12.1 34.395 6.707 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1361 1207.7 9.0 scans 52% 82 m/z (105) 3.5% 0.00557% 2583 2.3 59 13477 567297 514997 1-1 6: 82 81 39 54 95 38 0.876 19.12 150.6 73 95 95 97 97 9.1 2.338 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1024 ? p-Cymene 19.2607 1212.9 11.5 scans 20% 119 m/z (57) 12% 0.00111% 2604 1.1 28 3928 113552 104513 1-0 6: 119 91 120 89 134 63 0.771 13.76 13.4 76 85 61 83 134 10.6 14.791 5.504 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 20.0718 1247.2 9.4 scans 85% TIC 0.31% 0.0665% 2742 0.9 219 153625 6770845 5935379 3-5 0.970 19.81 179.7 78 97 93 100 144 4.5 0.000 0.258 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1004 Dodecane 20.3103 1257.3 8.9 scans 47% 57 m/z (82) 4.2% 0.00484% 2782 1.4 59 11379 493450 447629 3-2 13: 57 71 43 85 41 56 70 98 99 170 97 84 58 0.924 20.32 -0.4 92 96 88 95 170 7.7 1.661 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1034 ? Decanal 20.5252 1263.9 8.7 scans 78% 57 m/z 0.97% 0.0447% 2819 1.1 190 49245 4557114 4047056 4-3 20: 57 41 43 55 82 70 68 56 81 112 69 67 96 84 42 39 54 45 72 109 0.955 20.57 -143.1 77 99 98 98 138 9.6 0.000 -0.044 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5275 1263.9 8.8 scans 79% TIC 0.95% 0.0456% 2819 0.9 191 50222 4643802 4173041 4-2 0.963 20.56 185.2 79 99 99 100 128 16.7 0.765 -0.035 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9921 1277.9 8.9 scans 75% 137 m/z (57) 1.5% 0.0259% 2898 1.3 139 30044 2643653 2418518 1-5 17: 137 152 109 123 67 81 91 107 77 79 119 95 53 39 65 138 96 0.950 21.00 192.6 68 90 84 90 155 0.0 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1042 ?? Phytol 21.2607 1285.9 13.3 scans 7.7% 97 m/z (121) 24% 0.000798% 2943 1.1 22 1971 81289 77126 0-2 3: 97 69 96 0.308 35.35 -11.5 64 85 24 76 196 0.0 0.000 -14.086 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.5010 1293.1 >6 scans 15% TIC 13% 0.000177% 2984 0.8 25 3682 17972 17972 0-0 0.458 21.56 -145.6 67 95 47 92 369 6.2 0.000 -0.057 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1006 ? Arosol 21.5931 1295.9 11.5 scans 74% 94 m/z 0.57% 0.0239% 3000 1.2 124 83649 2433557 2286665 2-2 15: 94 138 77 95 66 51 65 107 45 39 139 78 50 63 40 0.923 20.98 210.9 79 98 91 99 152 0.0 0.000 0.610 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0093 1308.4 8.3 scans 9.1% 175 m/z (88) 4.1% 0.00111% 3070 7.5 37 11592 0.00177% 113220 101565 180205 0-3 3: 175 190 131 0.674 22.01 208.0 66 94 55 94 190 11.1 9.019 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1266 Octanoic acid 22.0335 1309.1 16.4 scans 51% 101 m/z (175) 4.2% 0.0166% 3074 0.9 84 11333 1690529 1544497 1-2 14: 101 55 69 59 85 97 41 42 103 53 98 75 88 60 0.899 22.03 0.0 98 100 100 100 175 4.4 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0866 1340.7 11.8 scans 57% 43 m/z 1.4% 0.0155% 3252 1.0 99 34139 1578347 1336088 3-5 17: 43 69 109 86 71 41 127 81 58 39 67 83 95 56 59 87 68 0.834 22.91 227.1 75 98 85 97 127 13.9 1.959 0.174 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1006 ? Tridecane 23.2560 1345.8 >11 scans 24% TIC 9.1% 0.000770% 3281 1.4 37 5229 78396 78396 0-0 0.628 23.86 -18.2 74 80 57 78 184 0.0 0.000 -0.606 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1002 Contamination 24.17min 24.1687 1374.2 7.5 scans 82% 73 m/z 0.18% 0.0763% 3435 1.1 270 264601 7776392 7374692 2-3 20: 73 341 429 342 147 325 343 430 431 74 326 207 327 344 191 148 432 45 59 75 0.943 24.17 -149.6 80 100 93 99 429 76.6 8.050 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1040 Nonanoic acid 25.3564 1413.9 9.8 scans 4.7% 73 m/z 0.29% 0.0938% 3637 1.3 257 160747 9558032 8863062 2-1 13: 73 60 57 115 129 98 87 61 45 101 97 96 99 0.845 22.70 -61.4 80 93 79 94 158 17.4 0.000 2.660 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1014 ? Nicotine 25.4078 1415.6 >2 scans 1.0% 60 m/z 0.89% 0.00594% 3646 1.4 154 53405 0.136% 605170 605170 13846256 0-0 1: 60 0.768 25.41 265.7 78 100 100 100 162 41.8 7.427 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1010 ?? Nicotine 25.8647 1430.9 >2 scans 0.20% 133 m/z 0.55% 0.000022% 3723 1.5 86 86901 0.00907% 2215 1523 923423 2-0 17: 133 161 119 42 92 63 134 78 117 163 116 74 89 57 73 48 100 0.562 25.83 274.8 61 96 95 97 162 23.7 0.000 0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1004 Nicotine 25.8918 1431.8 >3 scans 79% 133 m/z 0.0068% 1.31% 3728 0.9 1757 6973151 133849553 131367226 0-2 20: 133 84 162 161 119 42 132 92 118 130 117 134 82 65 78 93 51 91 77 104 0.832 25.89 274.8 80 100 83 99 162 577.2 10.786 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0991 1472.1 6.6 scans 38% 221 m/z 2.1% 0.00606% 3932 1.0 83 22751 617930 563300 2-2 17: 221 73 147 281 355 222 267 223 282 148 149 74 444 283 207 356 357 0.860 27.12 297.2 73 95 81 94 355 15.4 3.459 -0.019 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1008 Tetradecane 27.1764 1474.7 7.8 scans 72% 57 m/z 0.46% 0.0342% 3945 1.1 182 104190 0.0431% 3484786 3221527 4388041 2-0 19: 57 71 43 85 41 56 55 70 99 198 69 42 98 83 126 112 113 39 141 0.945 27.21 -1.1 98 98 91 97 198 21.3 1.366 -0.033 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1032 Myosmine 27.9314 1503.0 8.7 scans 86% 118 m/z 0.069% 0.241% 4073 1.0 455 687431 24637864 22650310 2-3 20: 118 146 145 59 105 78 51 119 104 41 91 42 65 117 63 39 77 64 50 76 0.983 27.93 316.3 81 100 98 100 146 192.6 17.920 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3990 1520.5 8.5 scans 52% 80 m/z (117) 0.69% 0.0163% 4152 1.1 114 68525 1666506 1529980 2-5 7: 80 171 104 170 53 172 50 0.919 28.39 327.1 74 98 91 98 171 48.6 18.056 0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6670 1530.6 7.8 scans 74% 43 m/z 0.15% 0.103% 4198 1.1 308 315386 10548866 9282301 6-9 19: 43 69 41 151 136 107 125 67 93 109 53 83 81 68 39 121 79 108 77 0.916 28.67 333.2 79 99 91 98 194 18.9 0.375 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1021 1547.0 7.8 scans 68% 71 m/z (221) 0.34% 0.0679% 4271 1.1 243 137316 0.0848% 6921699 6580519 8633548 1-0 19: 71 57 43 85 41 70 55 56 113 141 99 112 84 69 183 97 42 179 140 0.946 29.10 343.1 74 99 94 97 227 4.9 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1010 Contamination 29.61min 29.5206 1562.7 8.7 scans 81% TIC 0.17% 0.0892% 4342 1.1 304 271036 9083340 8798093 1-0 0.978 29.61 -150.4 80 99 97 99 503 46.7 2.361 -0.093 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1022 Nicotyrine 29.6853 1568.9 13.2 scans 84% TIC 0.0099% 2.06% 4370 0.3 1125 4825090 210582952 203468401 2-1 0.975 29.68 356.3 81 100 98 100 158 597.7 28.214 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1044 ? b-Ionone 29.6924 1569.2 5.1 scans 54% 177 m/z (100) 0.021% 0.585% 4371 0.8 895 2202016 0.786% 59604721 59604721 80023213 0-0 19: 177 43 178 91 135 93 107 149 121 122 133 95 192 109 81 162 136 123 69 0.996 29.68 356.7 74 96 96 96 192 58.8 0.432 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7745 1572.2 7.7 scans 51% 123 m/z 0.092% 0.0675% 4385 1.0 255 520702 6877135 6407368 0-3 15: 123 43 135 124 107 95 91 109 79 81 93 125 97 53 67 0.764 29.77 358.2 79 99 76 98 193 22.5 0.775 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9409 1578.5 9.0 scans 67% 71 m/z (158) 0.35% 0.0762% 4413 0.8 228 136057 7768074 7021713 1-2 16: 71 85 57 43 99 113 70 69 84 155 56 86 170 126 112 154 0.955 29.94 362.1 76 100 97 99 254 5.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1010 Pentadecane 30.3170 1592.6 7.4 scans 39% 70 m/z (183) 1.0% 0.0179% 4477 1.7 124 44359 0.0212% 1822924 1751678 2158387 2-0 17: 70 140 56 141 179 98 112 97 42 113 72 155 100 124 68 54 44 0.949 30.38 -2.3 87 92 93 92 212 14.8 1.412 -0.060 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4982 1600.0 8.1 scans 81% 191 m/z 0.047% 0.185% 4508 0.9 413 1007373 18852136 17371048 2-3 20: 191 206 192 57 163 74 41 175 115 91 107 73 77 88 207 128 147 161 105 60 0.966 30.50 375.2 80 100 96 100 206 108.8 6.941 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N406_R~1-N1098 ?? Olivetol 30.8229 1613.6 8.6 scans 25% 124 m/z (71) 1.7% 0.0112% 4563 0.9 95 27503 1141331 1052017 4-2 8: 124 137 168 125 138 180 139 181 0.923 30.81 384.2 66 89 80 91 180 24.3 6.578 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1190 ? Berkheyaradulene 30.8648 1615.4 10.1 scans 34% 162 m/z (52) 0.60% 0.0285% 4570 1.4 138 79094 2901908 2616579 2-2 7: 162 147 161 163 133 66 149 0.821 30.88 -0.6 73 79 50 76 204 4.3 0.000 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9280 1618.1 9.1 scans 49% 171 m/z (105) 0.36% 0.0395% 4581 1.3 172 132530 4031513 3731635 2-7 8: 171 172 173 156 94 130 170 169 0.970 30.93 0.1 97 98 94 100 171 99.1 33.041 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2054 1629.7 9.3 scans 75% 111 m/z (71) 0.095% 0.267% 4628 0.8 440 499704 27236870 24656916 3-2 20: 111 109 137 43 67 180 110 152 95 124 41 79 77 39 81 69 112 223 93 341 0.923 31.20 394.3 73 96 92 98 180 91.9 4.357 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2054 1629.7 9.3 scans 71% 111 m/z 0.097% 0.234% 4628 0.8 428 493953 23864116 21603639 3-2 20: 111 109 137 43 67 180 110 152 95 124 41 79 77 39 81 69 112 223 93 341 0.914 31.18 394.7 78 97 96 98 180 91.7 4.577 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5153 1642.7 8.8 scans 59% 43 m/z 0.33% 0.0401% 4680 1.1 193 141646 4089798 3681835 2-1 20: 43 98 111 166 55 151 41 127 68 82 71 85 83 67 69 123 107 99 39 81 0.844 31.52 0.0 97 98 82 97 166 41.3 4.581 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1194 ? Hydrocarbon 31.6min RI1648 31.6369 1647.8 8.4 scans 19% TIC 1.5% 0.00532% 4701 1.2 88 30813 541904 494083 1-2 0.419 31.63 0.1 76 91 41 81 429 14.3 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9180 1659.7 7.7 scans 40% 83 m/z (143) 1.6% 0.0150% 4749 1.1 118 29074 1531539 1449518 3-1 3: 83 82 126 0.941 31.92 -0.0 79 84 90 86 219 3.6 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1200 Contamination 32.08min 32.0791 1666.4 6.5 scans 37% 221 m/z 1.1% 0.0107% 4776 1.0 109 40017 1098963 1029357 4-2 19: 221 73 147 222 295 207 341 355 296 148 281 208 342 74 325 327 357 343 267 0.856 32.08 0.0 98 99 84 98 355 19.0 3.023 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2385 1673.1 8.9 scans 43% 57 m/z 0.64% 0.0251% 4802 1.6 145 74246 2563261 2392355 3-2 18: 57 43 71 85 56 41 55 99 149 183 105 70 69 113 100 42 141 77 0.681 32.24 0.0 88 93 66 88 226 6.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4416 1681.7 9.0 scans 54% TIC 0.52% 0.0317% 4837 1.0 175 91110 3234455 2902917 3-2 0.798 32.44 -0.0 94 95 77 93 226 6.7 0.000 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN GLAU_R~1-N1084 ?? Pentadecane 32.5832 1687.6 >10 scans 44% 135 m/z (163) 1.8% 0.0164% 4861 0.9 103 25648 1673042 1325547 2-2 14: 135 169 179 70 56 126 84 111 41 112 141 114 140 154 0.925 24.54 550.3 68 93 92 95 169 12.1 1.388 8.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1206 Spathulenol 32.6730 1691.4 8.9 scans 63% 205 m/z (111) 1.5% 0.0572% 4876 1.1 211 31739 5831968 5361955 2-2 18: 205 43 119 91 105 93 79 107 81 159 162 147 121 187 145 95 67 106 0.967 32.67 -0.1 97 99 97 99 220 13.2 0.391 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N407_R~1-N1120 ?? Caryophyllene oxide 32.8430 1698.5 9.9 scans 29% 91 m/z (70 149) 2.8% 0.0227% 4905 1.7 122 17081 2317379 2186315 0-2 19: 91 121 106 107 77 39 110 79 137 130 133 108 53 120 135 156 94 134 163 0.835 32.87 438.2 60 88 71 89 206 5.4 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1208 Hydrocarbon 32.9min RI1700 32.8660 1699.5 7.5 scans 32% 70 m/z (149) 0.66% 0.0238% 4909 1.3 143 72055 2423486 2133958 3-2 3: 70 195 201 0.740 32.87 -0.0 91 100 78 98 186 16.6 0.000 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9327 1702.3 8.0 scans 51% 71 m/z (149) 0.21% 0.0397% 4920 0.7 176 226210 4044538 3749368 4-2 11: 71 43 159 243 72 155 173 143 89 73 244 0.927 32.93 -0.0 96 99 97 100 243 26.7 2.308 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1212 Hexadecene 33.0850 1708.7 7.2 scans 46% 83 m/z (179) 2.3% 0.0183% 4946 1.3 132 20798 1864768 1708503 1-2 20: 83 97 69 55 57 43 56 41 70 111 84 98 82 71 85 96 54 68 42 125 0.939 33.09 -0.0 94 97 97 98 224 8.1 0.380 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1012 Hexadecane 33.3099 1718.2 7.6 scans 72% 57 m/z (212) 0.32% 0.0652% 4984 0.7 233 149820 0.0729% 6645047 6157740 7422000 0-9 19: 57 71 43 85 41 55 56 99 70 42 113 226 84 69 98 112 83 141 58 0.973 33.37 -2.6 94 98 96 98 226 25.1 1.155 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8944 1728.3 7.3 scans 38% 71 m/z (217) 1.7% 0.0116% 5083 0.9 108 26857 0.0125% 1186105 1142184 1272634 3-1 19: 71 57 43 85 70 113 41 99 196 56 55 155 169 127 83 98 42 141 72 0.902 33.90 -0.0 94 100 94 99 197 19.5 3.281 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2669 1733.6 9.6 scans 41% TIC 0.65% 0.0137% 5146 0.9 139 73019 1404072 1345461 1-0 0.767 34.27 -0.0 94 98 76 96 211 25.0 3.230 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1024 Contamination 34.39min 34.3885 1735.3 7.4 scans 94% 355 m/z 0.019% 1.09% 5167 0.8 1033 2419379 111911706 104537685 2-2 20: 355 73 221 147 281 356 401 357 282 222 402 74 267 207 283 403 148 223 416 75 0.996 34.39 452.3 81 100 100 100 415 118.0 1.306 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7864 1741.0 13.3 scans 88% 91 m/z 0.034% 0.640% 5234 0.3 603 1387347 65163621 63286963 1-1 20: 91 155 199 90 65 184 92 44 89 120 137 63 106 77 39 200 64 156 51 134 0.985 34.79 452.0 81 100 98 100 199 164.2 7.418 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9033 1742.7 7.8 scans 41% 68 m/z (71) 0.82% 0.0367% 5254 1.3 174 58205 3737682 3456931 3-3 3: 68 69 224 0.907 34.90 -0.0 96 100 99 100 224 21.0 1.445 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6943 1754.0 8.6 scans 23% 209 m/z (100) 1.6% 0.0180% 5388 1.2 118 28416 1841157 1675175 7-2 10: 209 175 131 165 210 224 193 167 194 166 0.708 35.70 451.3 66 90 58 91 224 15.9 1.799 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9269 1757.3 16.3 scans 40% TIC 0.41% 0.0300% 5427 1.5 195 114586 0.0389% 3063945 2925907 3960436 1-0 0.644 35.94 450.9 72 96 63 94 238 7.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1186 ? Cotinine 36.1884 1761.1 11.7 scans 34% 98 m/z (57) 0.46% 0.0356% 5472 1.2 140 102449 3626162 3211430 4-3 12: 98 176 118 119 51 117 177 63 64 175 50 104 0.937 36.19 -88.7 78 99 94 98 176 50.8 13.078 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5355 1766.0 7.3 scans 16% 221 m/z 1.2% 0.0115% 5530 1.0 108 39340 1179953 1123827 3-2 17: 221 73 207 147 295 281 282 369 208 223 327 341 296 265 297 209 355 0.606 36.58 449.5 74 97 68 94 369 18.6 2.965 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N407_R~1-N1140 ?? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6801 1768.1 8.8 scans 4.6% 220 m/z (197) 7.3% 0.00216% 5555 1.1 42 6486 220226 194833 1-1 7: 220 109 135 137 221 205 124 0.603 36.70 449.6 60 91 47 88 220 19.2 20.807 -0.024 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1943 1775.5 8.3 scans 16% 209 m/z 1.1% 0.00951% 5642 1.2 95 42919 968245 923581 1-1 15: 209 224 181 210 165 211 167 166 178 105 103 115 225 239 194 0.696 37.20 449.2 72 96 67 94 224 34.5 13.312 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1016 ? Octadecane 37.3041 1777.0 9.4 scans 55% 85 m/z (150) 0.70% 0.0523% 5661 1.4 191 68160 5327656 4632679 1-3 20: 85 71 57 43 112 99 113 84 55 41 141 69 127 70 56 169 155 225 224 111 0.966 38.91 -23.0 79 83 94 82 254 0.0 0.000 -1.606 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0574 1787.8 8.1 scans 68% 57 m/z (211) 0.36% 0.0622% 5788 1.0 229 130184 6336254 5885682 1-2 20: 57 71 85 43 56 41 225 99 55 113 224 69 127 70 141 83 97 58 155 239 0.971 38.06 448.1 77 100 99 100 225 38.9 2.881 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1028 Contamination 38.59min 38.5910 1795.4 8.6 scans 91% 73 m/z 0.035% 0.578% 5879 1.0 691 1334332 58864164 55668905 2-3 20: 73 147 429 221 355 281 430 341 207 356 401 74 357 342 295 282 267 325 223 459 0.984 38.59 447.3 81 100 98 100 429 188.9 7.477 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N406_R~1-N1108 ?? Solavetivone 38.8402 1799.0 8.8 scans 15% 161 m/z (71) 7.4% 0.0112% 5921 1.3 92 6460 1142301 1070044 1-0 10: 161 133 190 147 107 148 176 175 162 220 0.639 38.84 447.0 61 92 72 91 272 0.0 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4588 1868.0 9.1 scans 37% 74 m/z (120) 2.0% 0.0181% 6026 1.2 118 23303 1852726 1773101 2-7 13: 74 87 60 228 102 229 143 256 75 211 129 59 225 0.901 39.45 506.5 66 92 85 95 256 11.9 1.027 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1018 Neophytadiene 39.9358 1927.2 >21 scans 94% 95 m/z 0.013% 8.49% 6107 0.1 1824 3472961 865383719 820699397 0-7 20: 95 68 123 82 55 57 69 81 67 43 83 41 97 96 109 71 111 79 70 56 1.000 39.94 558.1 81 100 100 100 278 124.7 0.468 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9742 1931.9 >5 scans 63% TIC 0.21% 0.0666% 6113 2.2 340 221787 6782371 6128180 0-8 0.890 39.88 563.6 72 94 85 93 250 31.9 0.882 0.091 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3408 1977.4 7.8 scans 40% 149 m/z (237) 0.16% 0.0391% 6175 1.1 185 288246 3982605 3661963 2-3 6: 149 150 104 76 167 205 0.972 40.31 602.5 75 97 94 98 223 36.2 3.853 0.036 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N406_R~1-N1110 Phytol 40.4045 1985.3 7.8 scans 55% 81 m/z (163) 0.61% 0.0690% 6186 1.0 244 78235 0.0832% 7026008 6456450 8470650 3-0 15: 81 82 95 68 123 67 96 124 79 43 83 69 109 110 278 0.982 40.66 -31.9 88 95 94 94 278 26.0 1.139 -0.257 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6200 2012.0 7.3 scans 17% 221 m/z (69) 1.8% 0.0101% 6223 1.2 98 25505 1031425 951405 1-5 20: 221 73 147 207 222 369 296 148 282 283 209 281 74 208 356 224 267 341 265 415 0.783 40.63 631.9 71 98 89 98 369 16.0 2.693 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1254 Phytol 40.8668 2042.6 7.9 scans 75% 82 m/z (59) 0.29% 0.142% 6264 1.1 350 160436 14505011 13220453 2-2 19: 82 95 81 57 123 68 43 67 71 69 83 55 96 41 79 109 97 124 278 0.967 40.87 -0.1 97 100 98 100 278 42.7 1.489 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N407_R~1-N1144 ? Sclareoloxide 41.1076 2072.5 9.2 scans 41% 109 m/z (227) 1.8% 0.0343% 6305 1.1 166 25253 3492417 3419919 1-1 17: 109 100 262 191 95 177 123 107 121 91 137 229 176 93 105 135 122 0.856 41.13 684.7 72 96 82 98 262 30.0 3.261 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2564 2090.9 8.1 scans 74% 79 m/z (155) 0.30% 0.131% 6330 1.0 329 156850 13339781 11988090 2-3 20: 79 67 93 95 80 91 55 108 41 81 121 77 94 107 87 135 59 78 122 66 0.987 41.26 -0.1 98 100 99 100 264 21.0 0.406 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLANKB1-N1012 Contamination 41.49min 41.4488 2114.8 8.3 scans 64% 205 m/z 0.41% 0.118% 6363 0.8 330 116077 12073637 11120062 3-2 20: 205 57 217 175 189 177 220 55 232 41 91 67 261 203 191 233 77 109 206 192 0.795 41.49 -81.8 84 100 87 99 276 20.9 0.400 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6625 2129.1 9.1 scans 59% 69 m/z (43) 0.21% 0.111% 6399 0.8 279 224890 11321212 10095330 3-3 15: 69 93 81 41 67 133 120 79 95 68 53 77 121 134 39 0.926 41.75 731.6 75 99 90 97 272 10.3 0.000 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0297 2149.7 11.3 scans 36% 55 m/z (93) 0.044% 0.733% 6461 1.0 689 1087312 74711038 70889192 2-3 20: 55 41 69 115 111 130 54 116 192 102 86 152 186 253 211 127 167 126 274 166 0.940 42.01 747.7 75 98 93 97 272 10.1 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0297 2149.7 11.3 scans 82% 55 m/z (74) 0.059% 1.64% 6461 1.0 1032 806650 167956037 159364240 2-3 20: 55 41 69 115 111 130 54 116 192 102 86 152 186 253 211 127 167 126 274 166 0.981 42.05 -0.9 98 98 97 100 272 109.3 1.120 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3585 2168.1 7.9 scans 11% 73 m/z (161) 0.29% 0.0594% 6517 1.0 227 160613 6055186 5650038 2-4 20: 73 281 221 355 429 207 341 282 503 222 74 356 283 430 504 415 357 505 327 431 0.842 42.37 759.1 72 96 91 99 503 35.4 2.428 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1260 Diterpene 42.4min 42.3987 2170.4 8.9 scans 93% 161 m/z (73) 0.048% 1.29% 6524 0.7 1008 995133 131577164 124606142 2-3 20: 161 91 79 93 105 81 77 119 107 133 67 95 41 121 55 229 69 109 135 92 0.999 42.40 0.0 99 100 100 100 272 71.4 0.501 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9081 2199.0 10.0 scans 85% 148 m/z (256) 0.061% 0.765% 6609 1.2 716 775302 0.949% 77905871 72127738 96618357 2-0 18: 148 133 105 91 190 106 120 147 55 79 41 149 107 93 92 77 175 109 0.983 42.90 0.3 96 97 96 99 272 75.1 1.102 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9902 2203.6 >10 scans 85% 134 m/z 0.12% 0.411% 6624 1.0 586 385395 1.03% 41942782 40199024 104865024 0-2 20: 134 119 135 133 272 121 91 159 105 147 69 41 95 107 81 145 93 120 131 79 0.947 42.99 0.0 100 100 95 99 272 98.2 2.813 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1537 2212.8 8.5 scans 84% 135 m/z 0.16% 0.374% 6652 1.0 572 289776 38107415 35440935 2-2 20: 135 95 107 94 91 272 105 119 81 93 121 134 79 41 55 69 133 67 77 108 0.949 43.15 -0.0 100 99 95 99 272 106.0 3.430 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1252 Contamination 43.31min 43.3149 2221.8 9.2 scans 38% 263 m/z (184) 0.54% 0.0555% 6679 1.0 196 87587 5657621 5167873 2-2 15: 263 264 57 278 147 219 128 185 220 161 279 170 203 110 227 0.825 43.31 0.4 91 95 75 94 278 40.4 4.227 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4382 2228.8 9.6 scans 46% 191 m/z 0.88% 0.0687% 6700 0.9 264 54287 6998893 6587566 2-0 10: 191 119 121 95 81 189 134 192 109 161 0.872 43.44 0.1 88 89 80 98 272 24.7 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5522 2235.2 9.2 scans 88% 95 m/z (185) 0.10% 0.854% 6719 0.8 793 441237 86950131 78826132 2-2 20: 95 93 91 69 109 107 55 257 41 119 105 121 216 77 67 134 137 123 133 53 0.998 43.55 -0.0 99 100 100 100 272 85.2 1.155 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1242 Kaur-15-ene, (5?,9?,10?)- 43.6637 2241.4 8.2 scans 64% 148 m/z (255) 0.26% 0.107% 6738 1.2 303 180573 10950475 9996371 1-2 20: 148 133 119 105 91 190 120 106 147 79 149 272 55 41 134 107 69 77 92 175 0.984 43.66 0.2 98 100 99 100 272 36.5 1.451 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0534 2263.5 8.4 scans 84% 191 m/z (245) 0.10% 0.315% 6804 0.9 519 465083 32092312 30929988 1-1 20: 191 109 95 121 135 107 91 81 79 93 69 105 55 192 41 77 119 97 67 83 0.998 44.05 -0.0 99 100 100 100 272 46.5 0.804 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1238 Trachylobane 44.1543 2269.3 7.8 scans 87% 79 m/z (268) 0.33% 0.213% 6821 1.1 439 141164 21732811 20661102 1-1 20: 79 81 95 93 91 69 107 135 41 55 119 105 257 109 121 77 134 67 216 133 0.995 44.15 -0.0 99 100 100 100 272 49.9 1.291 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N419_R~1-N1158 ?? Manool oxide 44.2836 2276.7 8.0 scans 22% 275 m/z (221) 6.6% 0.00706% 6843 1.1 79 7160 718910 714562 0-3 6: 275 257 177 192 276 245 0.858 43.83 839.1 65 90 72 89 275 23.0 8.503 0.457 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.3131 2278.4 7.2 scans 11% 221 m/z (119) 5.2% 0.00365% 6848 0.9 55 9067 371695 312021 2-6 10: 221 73 281 207 369 296 355 297 371 282 0.665 44.32 831.1 68 99 83 98 369 10.5 3.588 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5534 2292.2 8.5 scans 80% 191 m/z 0.23% 0.118% 6889 1.1 324 200678 12097319 11148694 2-3 20: 191 109 95 121 135 81 91 107 79 69 93 105 55 41 192 77 97 80 119 67 0.956 44.55 0.0 100 100 95 99 272 30.6 0.890 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1234 Thunbergol 44.9005 2312.2 8.9 scans 89% TIC 0.17% 0.532% 6948 1.3 645 274369 0.579% 54211709 49176827 58948397 3-0 0.964 44.90 0.0 100 100 96 100 272 45.5 0.497 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9784 2316.7 >10 scans 59% 131 m/z (191) 1.3% 0.0691% 6961 1.2 226 36266 0.187% 7041803 6362845 19038601 0-4 19: 131 145 157 171 91 270 143 105 129 119 159 133 128 185 134 77 117 255 142 0.910 44.99 856.3 75 98 89 99 270 33.6 2.219 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4702 2345.0 8.5 scans 60% 81 m/z (288) 0.85% 0.0484% 7044 1.0 203 56085 4932650 4583858 2-0 20: 81 43 71 107 79 93 41 53 55 147 97 95 67 135 69 68 133 94 149 108 0.950 45.47 875.1 71 95 93 95 288 2.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.5628 2350.3 8.7 scans 89% 191 m/z (195) 0.12% 0.366% 7060 0.9 538 374586 0.385% 37296625 34867505 39197121 5-1 20: 191 123 95 109 69 82 125 81 124 55 67 137 41 136 43 121 107 192 96 79 0.994 45.56 -0.1 99 100 100 100 290 54.7 1.032 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BWA_RE~1-N1006 Contamination 45.78min 45.8066 2364.3 7.7 scans 22% 73 m/z (227) 1.0% 0.0156% 7101 1.0 119 45109 1591381 1537519 1-2 18: 73 355 221 281 356 341 357 401 207 222 295 74 415 358 325 223 429 296 0.858 45.78 1.7 92 96 84 95 503 11.5 0.936 0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1228 C18:2-butanoate 46.0026 2375.6 8.5 scans 67% 67 m/z (159) 0.62% 0.109% 7134 1.1 290 77248 11144781 9942549 5-2 20: 67 81 170 169 95 55 82 68 96 54 79 41 266 109 69 110 165 155 80 123 0.948 46.00 0.0 96 99 96 99 294 24.4 0.711 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1230 C18:3-butanoate 46.1355 2383.3 8.7 scans 76% 79 m/z (190) 0.22% 0.184% 7157 1.1 375 216721 18800167 17274331 1-5 19: 79 67 95 93 80 108 81 55 41 91 94 107 77 121 109 59 135 87 78 0.975 46.13 0.1 96 99 97 99 292 25.7 0.470 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN HCMIX_~1-N1022 ?? Henicosane 46.2075 2387.4 >11 scans 16% 85 m/z 2.1% 0.00467% 7169 0.9 70 22670 0.0100% 475840 448496 1018107 0-1 20: 85 71 43 86 70 296 99 113 112 72 211 144 140 126 154 56 183 155 169 197 0.787 46.28 -4.3 67 72 50 69 296 7.1 1.019 -0.075 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4944 2403.9 10.7 scans 92% TIC 0.015% 2.65% 7218 0.4 1356 3123426 270221974 256426852 2-1 0.997 46.49 -0.1 100 100 100 100 290 180.6 1.774 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8580 2424.9 8.5 scans 39% 191 m/z (104) 0.11% 0.252% 7279 1.0 450 434990 25730621 24194209 2-3 8: 191 123 192 82 68 190 124 275 0.988 46.86 -0.0 98 100 99 100 290 50.3 1.249 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3551 2453.5 16.4 scans 55% 134 m/z 0.044% 0.808% 7363 0.4 766 1069147 1.40% 82306684 77602153 142534984 2-0 15: 134 119 191 81 79 135 93 109 55 123 41 178 105 67 148 0.852 47.36 -0.0 98 98 83 97 272 78.7 1.056 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1226 Sclareol 47.42min 47.4183 2457.1 >7 scans 89% TIC 0.064% 0.455% 7374 1.2 700 744526 46387581 44317892 0-4 0.988 47.42 0.0 100 100 99 100 290 93.2 1.772 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9472 2487.6 8.7 scans 92% 134 m/z 0.055% 0.725% 7464 0.7 776 868107 73836275 68763764 4-7 20: 134 119 81 84 95 191 79 43 109 55 135 93 41 121 178 123 91 105 148 137 0.981 47.95 -0.0 100 100 98 100 272 74.5 0.921 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN N407_R~1-N1154 ? UNK 48.48min 48.4443 2516.2 8.6 scans 53% 148 m/z (99) 1.1% 0.0147% 7548 1.4 109 42434 1505038 1419879 2-1 14: 148 95 149 133 82 96 108 161 178 286 135 147 162 109 0.895 48.48 978.0 74 98 89 96 286 13.2 1.445 -0.036 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9413 2544.8 7.9 scans 50% 73 m/z (116) 1.7% 0.0102% 7632 1.2 93 27025 1039291 944334 2-4 19: 73 147 221 429 281 430 356 358 222 431 207 148 282 74 357 223 343 205 415 0.834 48.95 994.4 72 98 89 99 429 24.4 6.861 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1020 ?? Methyl eicosanoate 50.3569 2626.2 7.8 scans 54% 74 m/z (82) 2.0% 0.00920% 7872 1.1 88 22965 936725 853812 2-6 13: 74 87 43 326 75 143 69 55 83 283 129 88 241 0.850 50.36 1039.2 66 94 82 92 326 17.4 3.884 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8628 2712.8 8.0 scans 39% 73 m/z 2.8% 0.00440% 8127 1.2 63 16852 448599 408090 3-3 18: 73 147 221 355 281 430 265 148 222 356 357 431 205 282 295 267 74 149 0.668 51.86 1081.9 70 94 62 91 503 10.2 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP1.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6439 2872.9 9.3 scans 22% 73 m/z 7.2% 0.00173% 8597 1.1 38 6573 176763 153090 4-5 11: 73 221 356 148 267 281 429 209 282 355 222 0.576 45.81 1396.4 63 90 54 86 503 6.5 2.977 8.832 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1002 Contamination 4.37min 4.3174 776.7 >27 scans 73% 77 m/z (45) 0.33% 0.0696% 73 0.7 122 173265 6524035 6008365 1-2 6: 77 92 78 61 76 47 0.995 4.37 22.7 97 99 97 99 77 107.7 77.820 -0.054 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1016 ? Pivalic acid 6.1763 825.1 11.1 scans 37% 57 m/z (56) 2.3% 0.00641% 387 0.6 53 25019 600445 492748 3-7 3: 57 102 59 0.925 6.03 -136.5 70 95 86 94 102 7.1 0.000 0.143 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1014 Contamination 6.52min 6.4963 833.4 20.1 scans 73% 192 m/z 0.55% 0.0286% 442 4.3 108 105540 2683815 2574366 3-0 16: 192 133 89 178 119 177 75 210 147 134 117 165 179 135 149 82 0.799 6.53 -143.4 80 100 83 99 207 84.1 60.999 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N506_R~1-N1176 2-Hexenal 7.6179 862.6 8.1 scans 92% 69 m/z (85) 0.26% 0.218% 632 2.0 355 223165 20494685 17631873 2-3 20: 69 55 41 83 39 42 57 98 70 43 97 56 80 53 54 79 40 68 38 51 0.998 7.71 7.3 99 100 100 100 98 71.6 4.059 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKSTART-N1002 Contamination 12.22min 12.2219 982.5 14.2 scans 47% 134 m/z 0.56% 0.0315% 1410 2.7 118 103703 2956951 2741652 3-1 20: 134 133 207 85 73 72 165 252 195 209 179 118 110 193 147 265 285 178 142 266 0.640 12.22 36.2 94 100 88 99 281 83.3 50.272 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6493 993.6 9.5 scans 80% 81 m/z (112) 0.39% 0.0561% 1485 2.1 168 148635 5255629 4933554 1-2 20: 81 110 53 39 41 67 79 68 51 65 82 77 95 50 66 109 40 52 63 91 0.979 13.22 30.0 93 96 95 99 110 48.7 8.403 -0.573 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1022 ? Octanal 12.9120 1000.4 7.9 scans 49% 41 m/z (53) 6.8% 0.00888% 1529 1.3 76 8477 832267 715909 3-5 14: 41 57 84 43 55 82 44 100 69 85 42 39 68 67 0.830 12.96 -174.4 71 98 94 98 110 7.8 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1068 a-Toluenol 14.2025 1035.4 22.5 scans 83% TIC 0.62% 0.0728% 1747 0.6 167 93405 6819804 6219904 1-3 0.964 14.11 56.4 91 100 96 100 108 75.8 20.520 0.093 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4374 1041.8 9.5 scans 94% 91 m/z 0.038% 0.374% 1787 1.4 457 1493405 35103120 31837094 2-4 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 38 66 74 52 41 61 0.992 14.44 57.0 91 100 99 100 120 147.9 10.481 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0029 1057.1 8.1 scans 36% 70 m/z 7.4% 0.00331% 1883 1.1 56 7838 310169 283619 2-1 18: 70 55 41 57 54 84 39 69 93 81 98 97 42 56 53 58 68 51 0.766 18.83 4.4 76 82 62 79 122 0.0 0.000 -3.827 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1612 1061.4 11.3 scans 87% 105 m/z 0.17% 0.119% 1910 1.6 249 335741 0.154% 11194251 10581892 14421123 2-0 20: 105 77 123 51 46 106 50 78 124 76 75 52 79 53 64 93 49 73 62 63 0.974 15.17 64.0 90 100 97 100 123 89.8 12.968 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.2237 1063.1 12.2 scans 5.0% 109 m/z (105) 5.9% 0.00414% 1921 1.0 42 9814 388324 351458 3-2 2: 109 94 0.355 16.11 -207.1 65 99 79 97 109 24.5 34.551 -0.885 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN 98-86-2 ? Acetophenone 15.2497 1063.8 >11 scans 63% 105 m/z 0.42% 0.0401% 1925 1.9 160 136360 3762466 3287544 1-3 19: 105 120 77 51 106 78 43 50 76 38 63 65 75 96 89 49 73 40 81 0.939 15.29 -181.9 77 96 92 99 120 51.3 10.310 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4191 1068.4 9.2 scans 50% 95 m/z 0.45% 0.0416% 1954 1.7 157 127640 3900099 3523269 2-3 14: 95 81 124 43 79 109 53 39 82 96 66 63 54 50 0.749 15.43 66.7 87 100 75 99 124 53.1 11.387 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1002 Undecane 16.5974 1100.4 8.2 scans 40% 57 m/z 5.2% 0.00310% 2154 1.0 54 10980 291016 283352 1-0 17: 57 43 71 85 41 98 42 55 111 113 109 156 70 97 112 68 84 0.762 16.59 0.4 87 94 75 91 156 7.2 0.000 0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1016 Nonanal 16.7692 1107.7 8.2 scans 85% 57 m/z 0.49% 0.0917% 2182 1.3 249 118171 8592086 7478420 7-4 20: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 39 42 71 45 54 0.974 16.82 85.3 80 97 96 97 124 15.8 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9564 1115.6 9.1 scans 55% 71 m/z (156) 0.73% 0.0374% 2214 1.6 149 79266 3505260 3307490 1-3 18: 71 95 43 110 58 128 85 41 84 69 57 70 72 56 113 129 59 269 0.865 16.97 90.9 75 97 91 97 128 36.5 6.010 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1074 Benzeneethanol 17.1157 1122.3 10.4 scans 67% 91 m/z 0.34% 0.0488% 2241 0.7 159 170451 4577710 4083048 2-5 15: 91 92 122 65 51 77 63 93 103 104 62 90 123 115 64 0.891 17.05 96.3 80 99 88 98 122 57.0 12.894 0.064 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0792 1163.0 10.0 scans 76% 73 m/z 0.61% 0.0399% 2404 1.6 155 95162 3744553 3459417 2-2 20: 73 355 267 356 268 269 193 74 163 357 339 323 237 265 45 251 324 325 263 235 0.911 18.13 -168.7 79 99 88 99 355 66.8 18.659 -0.052 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1018 ? Contamination 12.25min 18.3637 1175.1 9.4 scans 10% 281 m/z (168) 16% 0.000850% 2452 1.8 23 3512 79558 73685 1-3 3: 281 282 98 0.497 12.25 22.0 76 90 40 91 281 15.3 45.590 6.113 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1018 ?? Pyranone 18.5302 1182.1 10.9 scans 16% 144 m/z (99) 5.8% 0.00534% 2481 1.2 54 9985 500910 460043 2-4 12: 144 43 44 72 45 71 73 101 113 145 115 112 0.413 18.22 138.6 68 97 83 97 144 24.2 20.394 0.309 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN M4942-N1002 ? Pyranone 18.5302 1182.1 10.9 scans 17% 144 m/z (70) 4.9% 0.00587% 2481 1.2 56 11772 550254 505360 2-4 12: 144 43 44 72 45 71 73 101 113 145 115 112 0.774 20.04 -208.4 71 97 82 96 144 24.6 19.239 -1.512 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.6978 1189.2 8.3 scans 55% 98 m/z (76) 4.9% 0.0104% 2509 1.1 86 11671 980257 910330 1-1 19: 98 69 111 43 82 55 125 41 67 97 95 107 70 126 59 81 39 83 99 0.928 18.71 138.4 73 97 90 99 153 3.5 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1199 1207.0 9.4 scans 31% 54 m/z (109) 5.5% 0.00439% 2581 1.1 49 10402 0.00545% 411955 370113 510358 2-2 4: 54 82 42 84 0.873 19.12 149.9 72 96 90 96 97 7.2 2.187 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1024 ? p-Cymene 19.7533 1233.8 10.6 scans 41% 119 m/z (105) 2.0% 0.0102% 2687 1.1 73 29041 955222 867831 3-5 4: 119 91 65 120 0.809 13.76 34.3 72 81 67 83 134 25.1 11.705 5.996 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.8342 1237.2 9.5 scans 77% 57 m/z 0.38% 0.0663% 2701 0.9 202 151153 6213150 5648020 2-6 19: 57 45 41 75 87 56 89 100 72 101 59 60 85 44 58 73 55 71 132 0.936 19.81 169.7 78 98 93 100 144 4.2 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1004 Dodecane 20.3112 1257.3 11.4 scans 32% 57 m/z (82) 6.2% 0.00457% 2782 1.5 48 9299 428059 370889 4-2 4: 57 71 56 70 0.795 20.32 -0.4 85 95 79 93 170 6.2 0.000 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1034 ? Decanal 20.5226 1263.8 8.3 scans 85% TIC 0.60% 0.0938% 2818 0.9 259 96830 8788966 8002381 3-2 0.960 20.57 -143.2 79 99 99 99 138 13.6 0.000 -0.046 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9930 1277.9 8.7 scans 76% 137 m/z 0.83% 0.0499% 2897 1.0 193 70098 4681697 4394686 1-1 20: 137 152 109 123 81 67 91 79 95 41 77 119 107 39 153 55 53 65 138 43 0.936 21.00 192.6 66 86 75 85 155 0.0 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1006 ? Arosol 21.0875 1280.7 8.9 scans 52% TIC 0.77% 0.00918% 2914 1.3 109 75485 860514 860514 0-0 0.825 20.98 195.7 76 97 89 98 152 2.2 0.000 0.104 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1064 ?? Benzoic acid 21.4364 1291.2 >9 scans 29% 77 m/z 3.4% 0.00437% 2973 0.0 59 16980 0.00910% 409873 389754 852157 2-0 8: 77 83 51 74 57 148 123 61 0.641 20.03 220.5 64 88 78 90 122 27.8 22.574 1.407 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1038 ?? Contamination 21.56min 21.4553 1291.8 6.5 scans 5.3% 281 m/z 13% 0.000768% 2976 0.9 26 4422 71965 62814 9-2 5: 281 147 369 282 148 0.519 21.56 -146.9 63 95 47 92 369 9.2 0.000 -0.103 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1016 ? Nicotine 23.9671 1367.5 17.6 scans 80% 60 m/z (138) 0.17% 0.386% 3402 0.2 373 328854 36182461 30900014 1-4 20: 60 73 57 55 115 41 43 129 69 98 87 61 45 56 39 70 83 101 74 42 0.980 25.35 218.3 74 95 94 99 162 3.4 0.000 -1.387 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1040 ? Nonanoic acid 23.9671 1367.5 17.6 scans 79% 60 m/z 0.17% 0.328% 3402 0.2 372 325157 30763546 26272232 1-4 20: 60 73 57 55 115 41 43 129 69 98 87 61 45 56 39 70 83 101 74 42 0.959 22.70 -107.8 76 94 94 99 158 24.8 0.445 1.271 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1002 Contamination 24.17min 24.1035 1372.1 7.4 scans 75% 73 m/z 0.21% 0.0952% 3425 0.9 277 269307 8922333 8485696 2-2 20: 73 341 429 342 325 147 430 431 343 326 74 207 344 251 432 148 45 75 191 311 0.930 24.17 -151.7 80 100 93 99 429 83.4 9.038 -0.068 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1006 ? Tridecane 24.5805 1388.0 8.5 scans 55% 71 m/z (121 81) 1.6% 0.0188% 3505 1.1 110 34506 1767066 1566005 3-8 14: 71 57 85 43 113 70 84 127 99 56 155 112 141 72 0.944 23.86 24.0 75 82 91 82 184 0.0 0.000 0.718 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1084 ? Pentadecane 24.5805 1388.0 8.5 scans 51% 71 m/z (121) 1.6% 0.0175% 3505 1.1 106 34537 1639067 1452570 3-8 14: 71 57 85 43 113 70 84 127 99 56 155 112 141 72 0.906 24.54 250.7 74 99 92 98 169 12.6 0.000 0.038 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1032 ?? Dodecane 24.9382 1399.9 >15 scans 42% 71 m/z (122) 3.8% 0.0123% 3566 1.5 75 15052 1159433 1099542 0-1 18: 71 57 85 141 155 84 107 99 69 41 192 113 129 127 177 43 135 79 0.822 20.36 -0.3 60 61 78 84 170 3.3 0.000 4.580 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1048 ?? Glycerol 1,2-diacetate 25.2505 1410.4 7.4 scans 38% 43 m/z (133) 1.1% 0.00929% 3619 0.9 82 50469 870722 776072 5-1 9: 43 103 145 116 115 153 74 73 61 0.668 25.24 -149.5 67 85 89 100 145 26.8 10.774 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1004 Nicotine 25.5852 1421.6 >23 scans 96% TIC 0.0078% 9.06% 3676 0.2 1628 7388760 848437348 834580401 0-1 0.998 25.89 264.6 80 99 99 99 162 469.1 8.303 -0.307 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1080 ? Solanone 25.7930 1428.5 7.6 scans 87% 93 m/z 0.059% 0.361% 3711 0.8 541 973324 33885155 31312062 2-2 20: 93 121 136 43 91 79 77 194 81 94 41 123 95 107 108 67 122 71 39 105 0.978 25.78 273.2 76 95 92 96 194 82.3 2.310 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.0888 1471.8 6.6 scans 45% 221 m/z 2.0% 0.00893% 3931 1.0 90 28928 836459 779357 1-2 19: 221 73 147 355 281 222 282 267 148 443 283 268 357 223 251 207 149 224 191 0.819 27.12 296.9 75 96 78 95 355 18.4 4.205 -0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1008 Tetradecane 27.1685 1474.4 7.5 scans 71% 57 m/z (169) 0.71% 0.0328% 3944 1.1 157 81788 0.0528% 3073420 2808394 4944385 2-0 19: 57 71 85 43 41 56 55 99 70 198 98 84 127 69 42 72 113 112 126 0.977 27.21 -1.4 95 98 96 98 198 19.8 1.601 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN GLAU_R~1-N1082 ?? Tetradecane 4-methyl 27.8379 1499.4 9.3 scans 51% TIC 1.4% 0.0285% 4057 1.2 150 41526 2678121 2506537 1-1 0.678 27.84 314.1 61 95 78 96 212 6.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1032 ? Myosmine 27.9524 1503.7 10.5 scans 72% 146 m/z 0.38% 0.0606% 4077 1.4 195 149973 0.0868% 5675750 5363241 8128269 1-0 20: 146 145 105 78 51 104 147 63 65 117 64 41 77 52 76 39 90 89 40 144 0.959 27.93 317.0 79 99 94 98 146 86.4 19.536 0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.3816 1519.9 9.0 scans 51% TIC 0.50% 0.0174% 4149 1.5 132 114782 0.0201% 1630975 1519545 1882237 2-1 0.801 28.39 326.5 76 97 78 96 171 62.8 22.789 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6573 1530.2 7.9 scans 78% 43 m/z (163) 0.18% 0.144% 4196 1.0 315 307542 13564207 11734078 8-10 20: 43 69 41 151 136 107 67 125 93 109 83 39 81 53 68 121 108 79 123 91 0.972 28.67 332.8 77 99 98 99 194 18.5 0.347 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0900 1546.5 7.9 scans 75% 71 m/z (165) 0.27% 0.112% 4270 1.1 286 209207 0.152% 10488388 10151834 14233835 1-0 20: 71 57 43 85 41 70 55 141 56 99 112 84 183 97 69 72 113 42 179 127 0.968 29.10 342.6 72 95 95 95 227 5.8 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1010 Contamination 29.61min 29.5127 1562.4 7.6 scans 88% TIC 0.10% 0.250% 4341 1.1 449 568638 23481311 21404585 2-1 0.978 29.61 -150.7 80 99 97 99 503 73.6 2.688 -0.101 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1022 ? Nicotyrine 29.6496 1567.6 11.7 scans 51% 158 m/z 0.034% 0.649% 4364 0.7 583 1693623 60798099 56742370 2-4 20: 158 157 130 116 89 63 156 90 131 78 104 143 142 62 50 129 52 76 64 102 0.786 29.68 355.0 78 99 85 98 158 336.8 33.377 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1044 ? b-Ionone 29.6656 1568.2 7.5 scans 28% 177 m/z (43) 0.046% 0.252% 4367 0.8 433 1252893 23598252 21712738 3-2 8: 177 178 91 149 133 192 122 162 0.383 29.68 355.7 70 99 36 92 192 64.4 2.211 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7618 1571.8 7.7 scans 71% 123 m/z 0.068% 0.143% 4383 1.0 340 848816 13458274 12678898 1-3 17: 123 135 124 107 91 95 109 79 77 81 67 93 39 53 97 125 105 0.935 29.77 357.8 79 99 93 98 193 28.4 0.696 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9383 1578.4 8.5 scans 79% TIC 0.18% 0.150% 4413 0.9 324 307146 14108254 13395821 1-1 0.924 29.94 362.0 77 99 94 98 254 8.7 0.072 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1010 ? Pentadecane 30.1662 1587.0 7.9 scans 52% 57 m/z 0.72% 0.0309% 4451 1.2 173 80266 0.0501% 2902822 2660419 4691547 1-1 20: 57 85 71 43 99 41 55 84 113 70 56 127 155 69 98 112 183 86 169 83 0.909 30.38 -7.9 78 81 85 81 212 0.0 0.000 -0.211 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4962 1599.9 8.0 scans 84% 191 m/z 0.034% 0.328% 4508 0.9 501 1671809 30756560 28118271 2-4 20: 191 206 192 57 163 74 91 41 115 107 73 77 88 147 128 175 161 105 117 121 0.978 30.50 375.1 80 100 97 100 206 134.0 7.169 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N406_R~1-N1098 ?? Olivetol 30.8179 1613.4 8.6 scans 28% 124 m/z (71) 1.3% 0.0173% 4562 1.0 107 41812 1620574 1485041 1-4 5: 124 137 180 54 138 0.920 30.81 384.0 67 90 82 92 180 29.0 7.366 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1190 Berkheyaradulene 30.8681 1615.5 10.2 scans 27% TIC 0.47% 0.0284% 4571 0.9 147 122149 0.0360% 2664217 2488502 3371172 0-2 0.367 30.88 -0.5 84 89 35 85 204 23.4 0.000 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9307 1618.2 8.6 scans 9.7% 171 m/z (154) 3.7% 0.00382% 4581 1.7 49 15632 358562 334228 2-2 3: 171 172 173 0.912 30.93 0.2 89 93 79 93 171 32.4 44.446 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2087 1629.9 9.8 scans 80% 111 m/z (71) 0.089% 0.397% 4628 0.7 482 652082 37253787 34506041 2-3 20: 111 109 137 67 180 110 43 124 152 95 94 79 81 41 77 73 39 91 69 53 0.940 31.20 394.5 73 97 91 97 180 102.6 4.529 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2087 1629.9 9.8 scans 66% 111 m/z 0.089% 0.309% 4628 0.7 439 651974 28998823 26859942 2-3 20: 111 109 137 67 180 110 43 124 152 95 94 79 81 41 77 73 39 91 69 53 0.794 31.18 394.9 76 98 82 98 180 102.6 5.450 0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5074 1642.4 9.0 scans 48% 43 m/z 0.55% 0.0311% 4679 1.1 157 105084 2920864 2789353 1-1 20: 43 98 111 166 85 71 55 127 151 41 82 83 67 68 69 84 107 99 39 123 0.723 31.52 -0.3 93 95 78 94 166 34.0 4.663 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1196 ? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7855 1654.1 9.0 scans 15% 193 m/z (57) 2.7% 0.00639% 4726 1.0 64 20878 598413 575729 1-5 6: 193 151 208 194 175 152 0.642 31.80 -0.4 75 85 48 91 208 12.8 3.935 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9141 1659.5 7.9 scans 51% 71 m/z (143) 1.4% 0.0336% 4748 0.6 143 39706 3153643 2781349 2-1 19: 71 57 83 85 43 82 55 69 41 99 113 70 154 111 56 127 155 210 112 0.924 31.92 -0.2 78 84 89 86 219 3.4 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1200 Contamination 32.08min 32.0818 1666.5 6.7 scans 32% 221 m/z 1.4% 0.0116% 4776 1.0 103 40430 1092680 1031148 2-2 16: 221 73 147 295 222 207 341 355 223 325 296 281 283 297 356 357 0.853 32.08 0.1 96 98 81 96 355 19.2 3.493 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2347 1673.0 8.9 scans 65% 57 m/z (123) 0.56% 0.0693% 4802 1.5 195 103723 6494234 6171067 1-1 18: 57 71 43 85 41 56 183 55 113 70 182 149 42 83 211 141 58 86 0.935 32.24 -0.1 92 98 94 97 226 8.7 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4407 1681.6 9.9 scans 62% 57 m/z (159) 0.71% 0.0519% 4837 0.8 175 81931 4860290 4482656 0-2 20: 57 85 71 56 197 41 55 99 127 113 169 70 58 141 196 128 72 123 69 97 0.946 32.44 -0.1 84 88 91 88 226 5.9 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1206 Spathulenol 32.6710 1691.3 8.2 scans 61% 43 m/z 1.4% 0.0481% 4876 1.0 200 39250 4510122 4104742 2-1 20: 43 91 93 119 107 79 95 159 105 109 67 81 135 82 41 123 147 149 121 77 0.849 32.67 -0.2 94 95 84 95 220 9.8 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8551 1699.0 11.7 scans 33% 55 m/z (149 101) 1.9% 0.0390% 4907 1.1 136 29707 0.0494% 3652819 3250897 4625997 4-0 17: 55 109 93 96 69 201 67 39 81 119 131 77 158 134 216 107 139 0.706 32.87 -0.5 67 83 59 84 186 5.0 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9283 1702.1 7.7 scans 46% 71 m/z 0.19% 0.0445% 4920 0.8 184 292559 4173189 3733175 3-5 11: 71 43 159 111 243 72 155 173 143 89 73 0.888 32.93 -0.2 96 97 92 97 243 30.8 2.806 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1212 Hexadecene 33.0866 1708.8 7.9 scans 44% TIC 2.3% 0.0138% 4946 1.1 131 24969 1299774 1177688 1-2 0.822 33.09 0.1 87 96 84 94 224 7.0 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1012 Hexadecane 33.3079 1718.1 7.6 scans 74% 57 m/z (109) 0.31% 0.0869% 4984 0.6 246 182955 8142872 7261438 3-2 19: 57 71 85 43 41 55 99 56 70 113 226 42 84 98 83 112 72 141 140 0.974 33.37 -2.7 95 98 97 99 226 27.5 1.246 -0.065 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1026 ?? p-Octylacetophenone 33.8292 1727.3 8.1 scans 11% 217 m/z (131) 2.6% 0.00432% 5072 0.9 56 22079 404657 373089 2-0 4: 217 232 218 233 0.822 33.83 452.6 67 91 66 94 232 24.4 18.985 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8924 1728.2 7.6 scans 36% 71 m/z 1.3% 0.0130% 5083 0.9 117 42488 1220990 1080161 10-1 17: 71 43 57 85 70 41 196 55 99 113 56 127 69 141 197 140 198 0.797 33.90 -0.1 84 88 79 86 197 23.9 4.173 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2701 1733.6 8.3 scans 39% 57 m/z (173) 1.0% 0.0262% 5147 1.0 134 55431 2455239 2297850 0-2 17: 57 71 85 43 41 211 98 210 113 182 225 183 70 131 127 58 54 0.900 34.27 0.0 90 95 92 97 211 23.8 3.139 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1024 Contamination 34.39min 34.4006 1735.5 7.4 scans 92% 355 m/z 0.032% 0.903% 5169 0.8 853 1801598 84608511 78795022 2-2 20: 355 73 147 221 281 401 357 282 222 402 415 327 74 148 283 385 416 325 133 341 0.989 34.39 452.5 81 100 99 100 415 100.5 1.388 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7772 1740.9 12.3 scans 82% 91 m/z 0.050% 0.546% 5233 0.3 525 1154114 51138240 47323762 2-2 20: 91 155 199 90 65 184 89 44 92 120 137 63 106 39 64 156 200 51 107 78 0.975 34.79 451.9 80 99 97 99 199 147.8 7.934 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9018 1742.7 8.4 scans 42% 68 m/z (71) 0.96% 0.0462% 5254 1.2 172 60341 4333691 3855895 3-2 4: 68 69 224 54 0.923 34.90 -0.0 96 98 98 99 224 22.1 1.654 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1042 ? Phytol 35.3493 1749.1 8.3 scans 78% 57 m/z (73) 0.30% 0.193% 5329 0.7 354 192198 18078871 16174799 3-1 20: 57 71 43 69 55 85 56 41 95 70 81 126 111 83 82 96 67 109 137 97 0.980 35.35 451.7 77 97 99 100 196 31.7 0.798 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6167 1752.9 8.8 scans 22% 191 m/z (169) 3.2% 0.0204% 5375 1.3 113 18096 1916760 1764040 1-3 6: 191 137 206 177 153 136 0.768 35.70 450.2 61 92 75 91 224 9.2 0.660 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6940 1754.0 8.3 scans 36% 193 m/z (70 71) 0.67% 0.0396% 5388 1.1 159 86242 3714286 3282352 8-3 13: 193 210 195 175 105 209 194 165 131 181 167 78 166 0.922 35.70 451.3 64 89 82 91 224 11.7 0.538 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1038 ? UNK 35.93min 35.9343 1757.4 9.1 scans 52% 148 m/z (85) 0.63% 0.0872% 5429 1.1 233 91912 8166869 7471228 2-2 8: 148 184 105 159 133 92 144 93 0.927 35.94 451.0 70 93 87 95 238 7.2 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1186 ? Cotinine 36.1846 1761.0 11.9 scans 11% 98 m/z (71) 1.6% 0.0128% 5471 1.3 76 35771 1200583 1120516 2-1 10: 98 176 118 119 121 51 78 177 52 64 0.681 36.19 -88.8 71 97 75 94 176 30.2 16.009 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5477 1766.2 7.2 scans 16% 221 m/z 1.3% 0.0146% 5532 0.9 111 43923 1373580 1301487 3-2 17: 221 73 147 295 281 207 223 341 208 282 180 370 327 297 148 296 355 0.630 36.58 449.7 74 98 69 95 369 19.2 2.984 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1970 1775.5 8.5 scans 9.2% 209 m/z (85 71) 2.1% 0.00711% 5643 1.0 69 27203 666357 596761 4-1 12: 209 224 181 210 167 165 239 178 166 194 179 103 0.604 37.20 449.2 64 97 65 94 224 26.2 14.314 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1016 Octadecane 37.3003 1777.0 8.7 scans 60% 71 m/z (173) 0.53% 0.0839% 5660 1.3 225 109610 0.117% 7858293 7041362 10956308 0-5 19: 71 85 57 43 99 113 127 55 41 69 70 169 155 56 126 111 86 97 100 0.974 38.91 -23.0 81 86 94 85 254 3.2 0.000 -1.610 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3936 1778.3 9.0 scans 43% 191 m/z (71) 2.3% 0.0357% 5676 0.8 150 24949 3348690 3077244 2-4 18: 191 121 95 109 135 205 91 123 107 93 105 79 192 177 133 159 147 145 0.908 34.14 499.1 62 87 80 86 220 28.4 3.583 3.258 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0583 1787.8 8.1 scans 66% 57 m/z 0.33% 0.0692% 5789 1.1 245 172261 6482243 6237832 2-1 20: 57 71 85 43 56 41 225 55 113 224 69 127 70 226 141 83 197 98 42 155 0.924 38.06 448.1 77 98 91 97 225 46.8 3.658 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1028 Contamination 38.59min 38.6061 1795.7 8.5 scans 86% 73 m/z 0.054% 0.530% 5881 1.0 611 1069288 49714190 46062448 2-4 20: 73 147 429 221 355 430 281 341 431 207 356 401 222 74 148 282 223 342 267 325 0.962 38.59 447.6 80 100 98 100 429 174.4 8.157 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1014 ?? Heptadecane 38.8157 1798.7 24.0 scans 37% TIC 0.56% 0.0363% 5917 1.9 154 103625 0.0478% 3404548 3228314 4476167 1-0 0.525 36.21 -52.2 63 84 48 84 240 15.4 0.000 2.605 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BQLD_R~1-N1058 ?? Methyl pentadecanoate 39.4651 1868.8 10.1 scans 26% 74 m/z (117) 2.3% 0.0178% 6027 1.2 100 25146 1674092 1526703 2-4 9: 74 87 75 229 228 256 102 61 257 0.881 39.45 507.3 68 96 88 95 256 13.3 1.764 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1018 Neophytadiene 39.9958 1934.6 >21 scans 94% 95 m/z 0.015% 10.0% 6117 0.1 1792 3781749 943552751 865940889 1-5 20: 95 68 82 123 55 81 83 67 69 57 97 43 41 124 109 71 96 79 110 137 0.999 39.94 565.5 81 100 100 100 278 124.2 0.480 0.060 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1032 ?? Hexahydrofarnesyl acetone 40.0259 1938.3 >3 scans 38% 58 m/z 0.28% 0.0449% 6122 3.4 295 201051 4213451 3878480 0-2 20: 58 59 43 250 109 110 124 55 165 70 125 210 126 151 253 60 251 268 179 138 0.827 39.88 570.0 66 90 72 90 250 35.9 1.473 0.143 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3635 1980.2 7.7 scans 37% 149 m/z (99) 0.19% 0.0441% 6179 1.0 183 292017 4137641 3936850 2-3 6: 149 150 104 76 50 205 0.924 40.31 605.3 72 95 91 98 223 36.7 4.046 0.059 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N406_R~1-N1110 Phytol 40.4244 1987.7 7.6 scans 81% 81 m/z (255) 0.16% 0.350% 6189 1.0 517 346254 0.382% 32867465 31289416 35771876 2-0 20: 81 82 95 68 123 57 43 69 79 67 55 83 96 41 71 124 97 109 111 110 0.997 40.66 -29.5 93 97 98 97 278 57.6 1.243 -0.238 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6203 2012.0 7.0 scans 19% 221 m/z (69) 2.0% 0.0147% 6223 1.0 109 29013 1384875 1263883 2-4 13: 221 73 295 207 281 371 369 296 297 283 370 74 356 0.884 40.63 631.9 69 95 76 97 369 16.7 2.356 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1254 Phytol 40.8819 2044.5 7.9 scans 68% 82 m/z 0.37% 0.132% 6267 1.0 337 155782 12390026 11514104 2-3 20: 82 81 95 68 57 123 43 69 83 71 55 67 96 79 41 97 109 278 124 85 0.948 40.87 1.8 97 97 93 96 278 45.0 1.777 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N407_R~1-N1144 ? Sclareoloxide 41.1198 2074.0 8.8 scans 41% 109 m/z (70) 1.6% 0.0497% 6307 1.1 182 34325 4657776 4338168 1-1 17: 109 95 262 191 81 229 123 177 107 135 136 137 149 93 150 263 91 0.942 41.13 686.2 71 94 87 97 262 35.2 3.722 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2721 2092.8 8.6 scans 58% 79 m/z (155) 0.51% 0.119% 6333 0.9 276 113824 11226406 10378660 3-3 16: 79 67 95 80 108 91 121 94 81 77 107 78 87 135 59 122 0.961 41.26 1.8 94 99 96 98 264 18.4 0.447 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLANKB1-N1012 Contamination 41.49min 41.4864 2119.2 9.5 scans 84% 205 m/z 0.14% 0.501% 6369 0.6 572 391972 46984089 43182003 3-2 20: 205 217 57 175 189 220 177 55 232 91 41 261 191 203 161 192 77 109 115 206 0.957 41.49 -77.4 86 100 96 100 276 38.6 0.455 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN HCMIX_~1-N1018 ?? Nonadecane 41.6558 2128.7 9.2 scans 17% 71 m/z (69) 0.73% 0.0581% 6398 0.6 176 79277 5442862 4764838 3-2 17: 71 43 85 57 99 113 127 136 126 155 141 193 185 84 169 111 56 0.713 41.48 9.7 64 76 68 83 268 10.8 0.000 0.173 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6776 2129.9 8.2 scans 68% 69 m/z (71) 0.13% 0.223% 6401 0.7 383 428687 20916594 19149033 6-2 19: 69 93 81 41 67 133 120 79 91 107 95 68 119 77 53 161 121 109 134 0.979 41.75 732.4 78 100 97 99 272 19.4 0.256 -0.072 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0277 2149.6 7.9 scans 29% 74 m/z (93) 0.055% 0.420% 6461 1.0 547 1044099 39355520 35775510 2-5 18: 74 87 143 75 227 270 239 59 185 101 88 199 241 271 84 98 213 228 0.876 42.01 747.6 75 98 86 97 272 9.4 0.000 0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0672 2151.8 10.4 scans 84% 93 m/z (164) 0.060% 1.93% 6468 0.5 1042 968787 180800703 165207126 3-4 20: 93 105 107 119 91 81 121 229 77 95 67 147 135 145 120 131 189 159 108 136 0.993 42.05 1.2 98 99 99 100 272 123.3 1.401 0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3541 2167.9 8.0 scans 25% 73 m/z (84) 0.37% 0.0669% 6516 1.2 220 153745 6272489 5759121 2-4 20: 73 281 221 429 355 503 341 207 282 356 222 327 74 504 415 505 295 431 461 357 0.956 42.37 758.9 71 93 88 96 503 38.8 3.127 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4114 2171.1 9.4 scans 90% TIC 0.066% 1.20% 6526 0.5 880 872928 112598940 104128545 3-9 0.976 42.40 0.7 100 100 97 99 272 65.9 0.561 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9179 2199.5 10.2 scans 67% 148 m/z (73) 0.068% 0.717% 6612 1.0 629 852992 0.904% 67190044 62564926 84653864 3-0 20: 148 133 105 190 91 106 120 147 79 55 149 92 41 93 77 175 94 117 191 80 0.863 42.90 0.8 97 100 89 99 272 73.9 1.380 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1246 Thunbergen/Cembrene 43.0017 2204.3 >10 scans 81% 134 m/z (157) 0.13% 0.560% 6626 1.0 591 427542 1.34% 52515610 49423013 125482497 0-3 20: 134 119 135 272 133 121 147 136 159 81 91 69 105 175 41 55 107 93 120 145 0.991 42.99 0.7 98 99 98 99 272 103.9 3.084 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1664 2213.5 8.5 scans 80% 135 m/z (204) 0.22% 0.405% 6654 1.0 523 261435 38016899 36158072 1-2 20: 135 107 94 95 91 105 119 134 93 81 121 79 55 41 133 69 77 137 67 108 0.963 43.15 0.7 98 100 97 99 272 98.4 3.534 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4528 2229.6 >9 scans 43% TIC 0.87% 0.0574% 6702 0.9 270 66752 5377764 5005339 1-0 0.874 43.44 0.9 87 87 81 98 272 28.3 1.094 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5673 2236.0 9.2 scans 83% 79 m/z (129) 0.12% 0.960% 6722 0.7 774 459076 89952483 85482687 2-1 20: 79 81 95 93 257 135 109 69 107 121 55 119 41 134 67 137 201 272 123 147 0.996 43.55 0.8 98 99 99 99 272 90.5 1.366 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1242 Kaur-15-ene, (5?,9?,10?)- 43.6747 2242.0 8.6 scans 55% 148 m/z (270) 0.36% 0.115% 6740 1.1 282 160228 10771720 10250316 1-1 19: 148 133 119 105 91 190 106 147 120 272 149 41 175 134 69 115 257 94 189 0.947 43.66 0.8 95 98 94 98 272 35.4 1.579 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0690 2264.4 8.6 scans 76% 191 m/z 0.094% 0.372% 6807 0.7 538 616403 34838552 33567777 1-1 20: 191 109 95 121 135 107 93 91 81 79 69 105 192 41 55 77 119 97 67 53 0.939 44.05 0.9 99 99 94 98 272 51.8 0.928 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1238 Trachylobane 44.1671 2270.0 8.1 scans 75% 79 m/z (237) 0.53% 0.200% 6823 1.0 376 108629 18771571 17443913 0-2 20: 79 81 95 93 91 135 257 109 69 107 41 119 55 105 216 134 121 77 272 67 0.995 44.15 0.7 98 99 99 99 272 46.0 1.498 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5655 2292.9 8.5 scans 76% 191 m/z (85) 0.24% 0.160% 6891 1.0 330 237270 15040066 14116822 2-2 20: 191 109 95 121 135 81 107 91 79 93 69 192 105 41 55 97 77 80 110 272 0.983 44.55 0.7 98 99 99 100 272 33.8 1.053 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1234 Thunbergol 44.9097 2312.7 9.6 scans 82% 43 m/z (220) 0.31% 0.427% 6949 1.0 510 183618 40033186 36415639 2-1 20: 43 81 109 95 67 121 93 107 69 55 123 97 79 41 71 147 149 229 161 136 0.994 44.90 0.5 98 100 100 100 272 35.1 0.474 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9982 2317.8 9.4 scans 65% 105 m/z 0.21% 0.425% 6964 0.8 562 269881 0.627% 39841356 39841356 58714571 0-0 20: 105 131 145 91 119 133 157 159 134 171 143 77 270 129 227 93 79 81 147 128 0.863 44.99 857.4 79 100 90 100 270 89.9 2.552 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4935 2346.3 8.9 scans 81% TIC 0.10% 0.525% 7048 0.9 632 571367 0.931% 49243799 45741415 87182242 2-0 0.957 45.47 876.4 78 99 96 98 288 26.4 0.174 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.5779 2351.2 8.5 scans 78% 191 m/z 0.14% 0.429% 7062 1.0 579 389089 40209819 37558978 1-1 20: 191 123 107 95 43 69 81 109 82 125 79 67 55 124 137 41 136 93 121 135 0.967 45.56 0.8 97 98 96 98 290 54.7 0.893 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1230 C18:3-butanoate 46.1429 2383.7 9.9 scans 64% 79 m/z (191) 0.26% 0.199% 7158 1.4 339 218749 18670182 16497935 1-4 19: 79 67 95 80 93 108 94 81 55 41 59 87 91 149 78 74 77 82 107 0.984 46.13 0.5 87 90 93 90 292 26.4 0.610 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5083 2404.7 11.8 scans 89% TIC 0.020% 2.75% 7220 0.3 1214 2907956 257808107 231617516 2-2 0.996 46.49 0.7 100 100 99 100 290 169.5 1.951 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8743 2425.8 12.5 scans 41% TIC 0.12% 0.227% 7282 1.2 457 453837 0.266% 21338179 19943629 24909212 3-0 0.881 46.86 0.9 96 98 89 98 290 62.8 1.885 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3767 2454.7 21.2 scans 66% TIC 0.048% 0.388% 7367 1.7 800 1205606 2.16% 36340046 36340046 202270294 0-0 0.984 47.36 1.2 100 99 97 99 272 79.8 0.996 0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1226 Sclareol 47.42min 47.4333 2458.0 >6 scans 89% TIC 0.078% 0.429% 7377 1.8 637 737967 40196049 33454041 1-6 0.985 47.42 0.9 100 99 99 99 290 89.4 1.970 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9593 2488.3 9.0 scans 90% 134 m/z 0.062% 0.842% 7466 0.7 745 927440 78907223 71367083 5-8 20: 134 119 81 84 69 95 191 79 43 55 109 135 41 178 121 107 123 67 105 91 0.976 47.95 0.7 100 100 98 99 272 74.8 1.007 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN N407_R~1-N1154 ? UNK 48.48min 48.4522 2516.6 8.7 scans 62% 148 m/z (127) 0.61% 0.0376% 7549 1.2 157 95258 3523113 3239868 2-2 15: 148 95 149 133 147 108 163 109 162 286 96 123 135 81 178 0.947 48.48 978.4 76 99 93 98 286 19.3 1.511 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9399 2544.7 7.9 scans 42% 73 m/z (119) 2.5% 0.0100% 7632 1.1 85 23185 943319 868638 2-4 20: 73 147 429 221 281 430 356 74 282 148 207 222 325 296 355 295 341 327 401 283 0.825 48.95 994.3 70 97 87 98 429 23.5 7.655 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP2.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8567 2712.5 8.1 scans 42% 73 m/z (246) 3.6% 0.00652% 8126 1.1 67 15752 610876 557753 2-4 18: 73 221 147 355 281 430 429 356 431 282 74 295 148 223 504 327 342 325 0.736 51.86 1081.6 71 96 76 94 503 9.7 2.060 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5951 836.0 18.3 scans 65% 207 m/z 0.46% 0.0247% 459 2.6 105 98587 2822991 2655021 1-1 19: 207 208 96 191 192 209 179 193 134 147 117 178 163 39 103 59 133 132 38 0.832 6.53 -140.8 79 100 85 99 207 79.9 58.049 0.067 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N506_R~1-N1176 2-Hexenal 7.6867 864.4 8.3 scans 95% TIC 0.20% 0.170% 644 2.1 345 223269 19505634 17975543 1-3 0.996 7.71 9.1 100 100 100 100 98 65.8 3.650 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1018 ?? Contamination 12.25min 12.2405 982.9 11.2 scans 7.9% TIC 2.9% 0.00356% 1415 2.3 44 15833 407301 365099 3-3 0.092 12.25 -170.2 61 87 12 83 281 76.7 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKSTART-N1002 Contamination 12.22min 12.2405 982.9 11.8 scans 51% 281 m/z (95) 0.50% 0.0247% 1415 2.3 112 91999 2821292 2573451 1-3 20: 281 43 282 71 99 41 55 193 265 249 191 111 284 39 134 207 163 73 235 192 0.596 12.22 36.6 91 98 86 99 281 77.1 47.332 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6832 994.5 >18 scans 79% TIC 0.87% 0.0170% 1490 2.3 98 52598 1942981 1754996 3-1 0.941 13.22 30.9 92 95 90 98 110 28.3 8.295 -0.539 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1016 Limonene 13.9046 1027.3 8.0 scans 34% 68 m/z (123) 6.9% 0.00289% 1697 1.4 48 6638 330765 297717 1-2 8: 68 93 67 91 94 136 107 105 0.784 13.89 52.0 80 95 77 95 136 11.3 5.520 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4560 1042.3 11.1 scans 84% TIC 0.22% 0.0437% 1790 1.6 163 205110 4995403 4502064 3-3 0.952 14.44 57.5 91 100 96 100 120 53.9 10.934 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1068 a-Toluenol 14.8958 1054.2 18.7 scans 55% 108 m/z (44) 2.8% 0.0112% 1865 0.5 68 15964 1285786 1261932 1-0 13: 108 79 71 51 78 109 53 50 105 43 62 54 70 0.809 14.11 75.2 80 99 90 98 108 30.3 19.809 0.787 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1844 1062.0 13.0 scans 89% 105 m/z 0.14% 0.108% 1914 1.5 243 326984 0.133% 12326542 11829740 15178468 2-0 20: 105 77 123 51 50 74 78 124 76 75 52 39 49 106 53 64 63 40 67 62 0.982 15.17 64.6 90 100 98 100 123 84.9 12.174 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN 98-86-2 ? Acetophenone 15.2683 1064.3 >12 scans 68% 77 m/z 0.31% 0.0380% 1928 1.6 159 147303 0.0977% 4346363 4064401 11149897 0-2 19: 77 105 50 78 51 60 75 45 106 39 121 73 87 38 42 74 49 124 83 0.939 15.29 -181.4 79 99 95 99 120 47.6 9.018 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4389 1068.9 9.4 scans 73% 95 m/z 0.19% 0.0757% 1957 1.7 235 234752 8643408 8150555 1-4 20: 95 81 124 43 79 109 53 39 41 65 82 96 66 67 51 55 123 77 125 80 0.906 15.43 67.2 87 99 90 100 124 70.1 8.919 0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN M4942-N1006 ?? 2-Acetylpyrrole 15.7340 1076.9 >22 scans 26% 109 m/z (68) 8.1% 0.00290% 2007 1.0 30 5690 331743 269098 5-2 2: 109 94 0.826 16.11 -193.3 68 97 76 96 109 18.7 38.251 -0.375 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1002 Undecane 16.6184 1101.3 8.3 scans 23% 57 m/z 5.4% 0.00177% 2156 0.8 43 8426 202563 184382 2-2 12: 57 71 43 98 56 111 112 70 85 58 83 99 0.542 16.59 1.3 80 92 57 87 156 6.6 0.000 0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1016 ? Nonanal 16.7854 1108.4 8.7 scans 75% 57 m/z (139) 1.2% 0.0279% 2185 1.2 138 37404 3188230 2729383 4-5 17: 57 41 56 55 98 44 70 82 68 69 95 67 96 42 114 45 54 0.987 16.82 86.0 78 96 97 96 124 3.4 0.000 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9761 1116.4 10.1 scans 61% 71 m/z 0.56% 0.0360% 2217 1.5 158 82249 4111852 3610445 2-4 19: 71 95 43 58 110 128 41 85 55 156 84 72 69 57 39 70 106 86 56 0.914 16.97 91.7 78 96 89 99 128 39.1 6.136 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN M4942-N1008 ? Phenylethyl Alcohol 17.5948 1142.6 10.7 scans 61% 91 m/z (105) 1.4% 0.00807% 2322 1.2 70 32869 921441 827854 4-4 9: 91 92 122 65 50 52 93 51 104 0.889 17.89 -181.6 74 98 90 97 122 25.1 12.905 -0.294 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.5948 1142.6 10.7 scans 62% 91 m/z (103) 1.3% 0.00825% 2322 1.2 71 33853 942052 846372 4-4 9: 91 92 122 65 50 52 93 51 104 0.892 17.05 116.6 75 99 90 99 122 24.3 11.864 0.543 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1006 ? Contamination 18.13min 18.1143 1164.5 12.1 scans 69% 73 m/z 0.72% 0.0238% 2410 2.0 120 63753 2722040 2486596 1-3 19: 73 355 267 356 357 74 251 268 325 340 269 250 358 270 191 154 339 205 324 0.858 18.13 -167.2 78 99 83 98 355 54.6 20.689 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1036 ?? Contamination 18.09min 18.1768 1167.2 >5 scans 35% 269 m/z (339) 3.5% 0.00390% 2419 999.0 61 12980 0.0166% 445403 406328 1894455 0-2 7: 269 357 191 251 205 154 270 0.783 18.09 125.6 65 89 70 91 355 18.5 9.215 0.085 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.7075 1189.6 10.7 scans 66% TIC 2.7% 0.00999% 2511 0.8 99 16918 0.0140% 1140242 1088198 1597734 0-2 0.868 18.71 138.8 76 97 85 99 153 4.9 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1078 ? 2-Nonenal 18.8410 1195.2 9.9 scans 53% 70 m/z (108) 5.5% 0.00718% 2533 1.2 69 8234 819659 762672 1-2 13: 70 43 83 55 41 42 69 94 84 56 96 53 122 0.776 18.83 142.5 70 99 90 98 122 5.2 0.000 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BWA_RE~1-N1004 ? 1H-Pyrazole, 3-methyl- like compound 19.1332 1207.6 8.6 scans 53% 82 m/z (281) 3.1% 0.00466% 2583 1.9 57 14419 532427 474498 2-2 7: 82 81 43 39 54 97 94 0.864 19.12 150.5 74 96 92 99 97 8.4 2.197 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1024 ? p-Cymene 19.2595 1212.9 10.2 scans 26% 91 m/z (56) 9.0% 0.00124% 2604 1.2 29 5106 141942 133264 1-1 5: 91 119 134 65 89 0.770 13.76 13.4 76 82 66 81 134 12.4 17.692 5.503 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1018 ?? Pyranone 19.6438 1229.1 13.1 scans 42% 43 m/z (56) 2.3% 0.00846% 2669 1.3 63 19312 965663 792002 4-7 16: 43 144 168 44 101 55 85 83 70 41 109 84 39 108 93 125 0.626 18.22 185.6 63 87 76 95 144 21.4 11.519 1.423 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN M4942-N1002 ?? Pyranone 19.6562 1229.7 14.7 scans 30% 44 m/z 4.5% 0.00492% 2671 1.0 51 10117 561627 513130 1-1 11: 44 72 56 73 111 42 153 53 69 97 45 0.497 20.04 -160.8 68 96 66 95 144 25.6 24.772 -0.386 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 20.1184 1249.2 9.3 scans 78% 57 m/z 0.59% 0.0274% 2749 1.1 144 77456 3136817 2817773 1-5 20: 57 45 41 75 87 56 89 101 100 72 59 85 43 131 60 132 71 73 58 44 0.937 19.81 181.7 77 97 91 99 144 1.9 0.000 0.304 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1004 ?? Dodecane 20.3215 1257.7 11.5 scans 9.5% 71 m/z 10% 0.000593% 2784 1.9 23 4498 67664 63710 0-5 9: 71 85 57 56 42 55 100 70 44 0.249 20.32 0.0 69 86 34 80 170 4.8 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1034 ? Decanal 20.5293 1264.0 8.4 scans 82% 41 m/z (86) 1.6% 0.0263% 2819 1.3 141 27400 3003221 2710986 4-3 20: 41 43 55 70 82 68 71 110 67 56 69 44 112 96 95 84 83 42 39 109 0.985 20.57 -143.0 70 88 94 99 138 6.5 0.211 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1032 ? UNK Hydrocarbon 20.56min 20.5293 1264.0 8.4 scans 78% 41 m/z 1.6% 0.0219% 2819 1.3 137 27498 2508927 2264790 4-3 20: 41 43 55 70 82 68 71 110 67 56 69 44 112 96 95 84 83 42 39 109 0.951 20.56 185.3 71 90 91 99 128 12.1 0.000 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1024 ?? Hexadecane 20.7761 1271.4 8.0 scans 23% 57 m/z (78) 7.3% 0.00166% 2861 0.8 36 6250 190124 163627 1-2 5: 57 107 58 85 111 0.633 33.32 4.4 67 84 75 82 226 0.0 0.000 -12.543 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9962 1278.0 8.9 scans 76% 137 m/z 0.83% 0.0349% 2898 1.2 168 55381 3985507 3659396 2-3 19: 137 152 109 123 81 67 91 79 77 41 93 95 107 39 55 119 53 65 138 0.895 21.00 192.7 69 90 75 89 155 0.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1006 ? Arosol 21.6840 1298.6 13.2 scans 67% TIC 0.59% 0.0214% 3015 1.0 106 77163 2444100 2167328 2-3 0.853 20.98 213.6 77 98 85 98 152 0.0 0.000 0.701 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1110 ?? Benzene, 1,3-bis(1,1-dimethylethyl)- 22.0093 1308.4 8.4 scans 13% 175 m/z (43) 5.9% 0.00106% 3070 1.3 29 7798 121962 112926 2-5 3: 175 190 176 0.742 22.01 208.0 64 93 54 91 190 9.5 10.882 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1266 Octanoic acid 22.3121 1317.5 13.2 scans 7.9% 115 m/z (135) 6.2% 0.00493% 3121 0.9 50 7431 562754 489658 1-4 5: 115 73 88 98 89 0.411 22.03 8.4 80 98 61 94 175 0.0 0.000 0.278 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.1267 1341.9 11.8 scans 65% 43 m/z 0.78% 0.0247% 3259 1.0 127 58455 2822303 2564806 1-2 19: 43 69 109 86 71 41 110 98 127 55 39 70 113 83 128 57 58 67 56 0.857 22.91 228.3 76 98 88 97 127 17.8 1.970 0.214 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1006 ? Tridecane 23.8405 1363.4 9.9 scans 36% 71 m/z (149) 6.4% 0.00295% 3380 2.0 46 7149 337262 337262 0-0 9: 71 42 85 69 126 43 127 81 83 0.786 23.86 -0.6 77 91 80 86 184 5.3 0.000 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1002 Contamination 24.17min 24.1834 1374.7 7.4 scans 72% 73 m/z 0.19% 0.0716% 3438 1.0 261 242311 8172735 7455136 2-3 20: 73 341 429 342 325 147 343 430 431 326 74 327 344 148 432 45 75 251 223 59 0.921 24.17 -149.1 80 100 92 99 429 79.8 9.352 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1064 ?? Benzoic acid 24.3009 1378.7 13.6 scans 29% 105 m/z (77) 3.9% 0.00531% 3458 1.4 53 11795 606227 595717 1-0 12: 105 111 109 126 51 50 86 142 78 74 93 75 0.762 20.03 308.0 61 82 67 92 122 24.4 21.010 4.272 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN GLAU_R~1-N1084 ? Pentadecane 24.6144 1389.1 9.4 scans 48% TIC 3.4% 0.00354% 3511 1.7 61 13369 404913 358648 3-1 0.801 24.54 251.8 73 95 79 93 169 8.7 0.000 0.072 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1040 ?? Nonanoic acid 25.5070 1418.9 >12 scans 0.20% 73 m/z 1.6% 0.00297% 3663 1.3 70 28325 0.00473% 339142 297112 539806 0-3 9: 73 45 115 129 98 87 57 101 96 0.460 22.70 -56.4 65 86 37 83 158 5.6 0.000 2.811 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1004 ? Nicotine 25.9397 1433.4 >3 scans 79% 133 m/z 0.0066% 1.36% 3736 1.0 1642 6938860 155570661 153906248 0-1 20: 133 162 161 42 119 92 118 130 82 51 65 78 117 85 134 91 39 63 77 55 0.818 25.89 276.4 79 99 83 98 162 538.1 10.738 0.048 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1050 1472.3 6.8 scans 39% 221 m/z 2.0% 0.00576% 3933 1.0 78 22471 657673 628140 2-1 18: 221 73 147 281 222 355 267 223 148 443 357 356 249 251 323 191 205 282 0.849 27.12 297.4 73 94 78 93 355 16.4 4.382 -0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1008 Tetradecane 27.1811 1474.9 7.6 scans 60% 57 m/z (118) 1.1% 0.0143% 3946 1.2 112 41881 0.0214% 1636220 1559669 2442250 1-0 17: 57 71 43 85 99 41 55 112 56 70 69 126 127 113 86 141 100 0.955 27.21 -0.9 94 98 95 97 198 13.3 1.417 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1032 Myosmine 27.9415 1503.3 9.6 scans 88% 118 m/z 0.062% 0.266% 4075 1.2 441 736490 30417711 27897501 3-4 20: 118 146 145 105 58 78 51 119 147 41 91 117 65 63 42 77 39 64 50 76 0.986 27.93 316.6 81 100 98 100 146 189.7 18.537 0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 28.2272 1514.1 8.3 scans 19% 121 m/z 2.4% 0.00416% 4123 1.2 61 18709 475832 438551 2-6 8: 121 161 176 136 123 95 122 194 0.457 27.02 340.7 60 84 32 81 208 2.0 0.000 1.210 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4096 1520.9 8.4 scans 48% 80 m/z (173) 0.68% 0.0149% 4154 0.9 109 67402 1708305 1544085 2-2 10: 80 171 53 104 172 91 81 103 167 169 0.903 28.39 327.5 74 98 91 97 171 48.4 19.666 0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6741 1530.9 8.2 scans 81% 43 m/z (166) 0.14% 0.120% 4199 1.1 307 307523 13794194 12261666 7-7 19: 43 69 41 136 151 107 125 67 93 109 83 53 68 81 39 121 108 79 70 0.988 28.67 333.5 78 99 99 99 194 19.9 0.421 0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1032 1547.0 7.8 scans 62% 71 m/z (180) 0.50% 0.0410% 4271 1.2 182 90936 0.0532% 4681894 4330027 6071387 2-0 20: 71 57 43 85 70 41 56 141 55 113 99 112 69 84 97 183 155 127 42 226 0.934 29.10 343.1 70 95 93 93 227 0.0 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1010 ? Contamination 29.61min 29.5253 1562.9 9.0 scans 94% TIC 0.012% 1.97% 4343 0.6 1272 3664767 225475510 207949606 2-1 0.996 29.61 -150.2 79 98 96 99 503 215.9 2.883 -0.089 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1022 ? Nicotyrine 29.6765 1568.6 12.5 scans 69% 158 m/z 0.013% 1.18% 4369 0.5 835 3458429 135443038 128636679 2-2 20: 158 157 130 159 116 89 156 63 90 143 104 142 51 42 62 80 50 128 76 102 0.918 29.68 356.0 79 99 89 99 158 473.0 32.048 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1044 ? b-Ionone 29.6936 1569.2 6.0 scans 28% 177 m/z (207) 0.031% 0.223% 4372 0.8 495 1452907 0.248% 25536789 24404437 28302708 0-1 20: 177 43 178 91 135 93 107 149 121 133 122 95 119 41 192 109 136 162 81 69 0.408 29.68 356.7 71 100 40 93 192 68.4 1.911 0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7845 1572.6 7.9 scans 79% 123 m/z 0.036% 0.192% 4387 1.1 418 1266518 21922022 20070842 1-3 20: 123 43 135 124 107 91 95 41 79 109 77 55 39 69 97 53 81 67 125 93 0.956 29.77 358.6 79 99 97 99 193 34.1 0.666 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9457 1578.7 9.8 scans 70% TIC 0.40% 0.0463% 4414 1.3 196 114455 5287835 5002475 1-1 0.926 29.94 362.3 74 96 91 94 254 5.1 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1010 ? Pentadecane 29.9457 1578.7 8.7 scans 65% 71 m/z (97) 0.43% 0.0508% 4414 0.9 189 105509 5807798 5330910 1-2 19: 71 57 85 43 99 113 127 155 69 55 41 70 56 112 114 141 169 86 126 0.978 30.38 -16.2 75 79 88 79 212 2.7 0.000 -0.431 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.5218 1601.0 8.1 scans 81% 191 m/z 0.056% 0.129% 4512 0.9 338 810369 14804597 13672256 2-3 20: 191 206 192 57 163 74 41 175 115 91 207 107 73 88 77 133 128 147 161 105 0.954 30.50 376.2 80 99 95 99 206 91.9 7.399 0.024 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N406_R~1-N1098 ?? Olivetol 30.8359 1614.2 8.8 scans 7.0% 124 m/z 1.4% 0.00650% 4565 1.0 73 31965 742498 684213 3-3 7: 124 137 168 180 125 138 181 0.450 30.81 384.8 63 88 54 87 180 24.8 11.581 0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1190 Berkheyaradulene 30.8943 1616.6 9.6 scans 54% 162 m/z (171) 0.19% 0.0981% 4575 1.1 262 239772 11196305 10539309 2-2 11: 162 147 161 163 148 91 115 133 103 149 134 0.920 30.88 0.6 87 90 74 91 204 11.5 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1188 trans-p-Dimethylaminocinnamonitrile 30.9274 1618.0 8.8 scans 19% 171 m/z (162) 0.52% 0.0204% 4581 0.9 122 87037 2337466 2078627 3-9 6: 171 172 173 94 156 170 0.885 30.93 0.0 96 99 94 99 171 75.0 37.775 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2414 1631.2 10.8 scans 80% 111 m/z 0.047% 0.478% 4634 0.5 557 974301 54636773 49091764 3-11 20: 111 109 137 67 43 180 110 124 95 152 41 81 79 77 39 112 69 93 53 65 0.957 31.18 396.2 76 97 94 98 180 125.4 5.069 0.063 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5153 1642.7 9.6 scans 46% 43 m/z (475) 1.2% 0.0151% 4680 1.3 104 36111 1728630 1657312 1-1 18: 43 98 57 111 71 85 151 127 55 81 99 83 41 68 82 126 39 169 0.888 31.52 0.0 88 94 89 96 166 18.9 3.274 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6328 1647.7 7.8 scans 37% 71 m/z (143) 2.1% 0.0115% 4700 1.2 98 21007 1322336 1220912 1-2 20: 71 85 57 43 341 99 183 113 429 69 70 169 41 207 343 55 127 84 223 111 0.760 31.63 -0.0 69 93 80 89 429 12.1 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9244 1659.9 >14 scans 40% TIC 2.3% 0.00758% 4749 0.7 93 19760 865403 823904 1-0 0.868 31.92 0.2 78 83 80 81 219 2.4 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1200 Contamination 32.08min 32.0632 1665.8 6.5 scans 35% 221 m/z 0.95% 0.0112% 4773 1.0 111 48326 1278813 1161821 2-2 16: 221 73 147 207 295 222 223 341 355 325 281 342 208 148 297 74 0.785 32.08 -0.6 96 99 85 98 355 20.0 3.245 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2409 1673.2 8.7 scans 48% 57 m/z (175) 1.0% 0.0204% 4803 1.4 113 42201 2334084 2000440 8-2 14: 57 43 71 85 41 183 56 149 113 182 70 42 141 184 0.874 32.24 0.1 89 96 87 93 226 5.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4581 1682.4 9.7 scans 45% 95 m/z (107) 1.4% 0.0174% 4840 0.6 110 32682 1997017 1885306 0-1 17: 95 99 168 113 55 111 93 91 141 163 124 126 155 125 169 67 114 0.819 32.44 0.7 83 94 82 93 226 4.1 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1206 Spathulenol 32.6771 1691.6 9.1 scans 54% 43 m/z (171) 2.5% 0.0310% 4877 1.2 149 18210 3545307 3126817 2-2 20: 43 106 91 119 93 105 107 81 163 79 109 150 120 162 147 123 151 95 149 159 0.916 32.67 0.1 93 98 94 98 220 7.9 0.280 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1208 ? Hydrocarbon 32.9min RI1700 32.8672 1699.5 8.5 scans 23% 70 m/z (149) 2.0% 0.0112% 4909 1.4 87 22020 1280556 1018186 1-4 8: 70 109 205 110 170 201 146 147 0.577 32.87 0.0 71 85 56 86 186 12.3 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9351 1702.4 7.7 scans 49% 71 m/z 0.26% 0.0221% 4921 0.9 141 174070 2525657 2150133 7-7 12: 71 43 159 111 72 56 155 143 98 89 174 73 0.871 32.93 0.1 96 99 94 98 243 22.9 2.634 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1212 Hexadecene 33.0903 1708.9 7.3 scans 38% 97 m/z (74) 4.8% 0.00743% 4947 1.0 83 9593 848357 808403 1-0 19: 97 83 69 70 57 55 43 56 111 41 84 98 85 68 112 39 67 54 96 0.894 33.09 0.2 89 97 96 96 224 4.3 0.000 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1012 Hexadecane 33.3123 1718.2 7.1 scans 64% 57 m/z 0.48% 0.0244% 4984 0.9 168 94384 2787408 2658712 5-1 20: 57 71 85 43 41 55 99 56 70 226 113 98 69 42 127 72 84 112 140 83 0.918 33.37 -2.6 90 96 90 95 226 19.5 1.348 -0.061 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8973 1728.3 7.4 scans 43% 71 m/z (182) 2.1% 0.00972% 5084 1.0 94 21251 1109608 1016432 2-1 19: 71 43 57 85 70 197 99 55 196 41 140 56 113 127 112 141 69 42 72 0.905 33.90 -0.0 90 96 94 96 197 17.2 3.347 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2816 1733.8 8.1 scans 13% 57 m/z (173) 3.9% 0.00356% 5148 0.7 55 11555 407058 359478 0-1 13: 57 43 141 211 182 162 119 123 210 196 91 67 135 0.691 34.27 0.2 71 85 65 86 211 10.8 3.857 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1024 Contamination 34.39min 34.4180 1735.7 17.0 scans 87% TIC 0.0089% 3.51% 5172 0.2 1412 5159159 4.44% 400955219 380461344 506709769 2-0 0.999 34.39 452.7 80 99 99 99 415 175.1 1.542 0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.7887 1741.1 13.2 scans 88% TIC 0.040% 0.473% 5235 0.3 519 1145371 54007496 49811473 2-2 0.986 34.79 452.1 81 100 98 100 199 145.8 7.890 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9033 1742.7 8.6 scans 24% 68 m/z (71) 2.6% 0.00983% 5254 1.5 84 17262 1122090 968120 3-3 3: 68 126 224 0.916 34.90 -0.0 88 94 91 94 224 11.2 1.783 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6890 1753.9 8.7 scans 52% 123 m/z (225) 0.25% 0.0528% 5388 1.0 198 182763 6029081 5385051 6-3 13: 123 193 124 175 125 77 147 194 131 149 39 181 142 0.928 35.70 451.2 64 91 81 91 224 11.9 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9310 1757.4 9.4 scans 59% 91 m/z (197) 0.51% 0.0701% 5428 1.5 220 90334 8000565 7562026 1-3 17: 91 184 97 83 65 155 92 111 82 44 133 93 67 159 77 119 68 0.932 35.94 451.0 69 94 87 95 238 5.9 0.073 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5160 1765.8 6.7 scans 15% 221 m/z (91) 1.4% 0.0128% 5527 1.2 114 31220 1470930 1387946 2-2 14: 221 73 147 295 341 281 369 297 370 191 148 327 355 356 0.786 36.58 449.3 70 95 72 97 369 16.6 2.131 -0.063 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1140 ? 1,4-Methanoazulen-9-one, decahydro-1,5,5,8a-tetramethyl-, [1R-(1?,3a?,4?,8a?)]- 36.6866 1768.2 8.2 scans 16% 220 m/z (133) 3.5% 0.00462% 5556 0.8 63 12936 527564 496118 3-1 9: 220 109 124 135 205 177 187 137 138 0.813 36.70 449.7 70 96 65 93 220 25.3 16.124 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1036 ?? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2049 1775.6 8.1 scans 17% 209 m/z (85) 1.7% 0.00693% 5643 1.0 77 25884 791561 728248 2-2 8: 209 165 115 225 178 166 179 89 0.724 37.20 449.3 66 92 74 97 224 24.3 10.076 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3974 1778.4 8.8 scans 57% 191 m/z (71) 1.3% 0.0408% 5676 0.9 175 33320 4660830 4217538 1-4 18: 191 121 220 135 91 205 123 105 81 133 79 77 147 187 159 149 119 122 0.954 34.14 499.2 64 88 87 87 220 31.7 3.290 3.261 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0597 1787.8 8.5 scans 49% TIC 0.68% 0.0168% 5789 1.1 146 67121 1919810 1754382 2-1 0.865 38.06 448.1 74 96 85 94 225 28.9 3.886 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1028 Contamination 38.59min 38.5928 1795.5 9.7 scans 95% 73 m/z 0.012% 2.37% 5879 0.7 1326 3833398 271406870 250751407 3-3 20: 73 221 147 355 430 281 341 356 222 357 295 148 267 282 343 327 149 208 191 133 0.997 38.59 447.4 80 99 98 100 429 398.6 9.042 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1016 Octadecane 38.8325 1798.9 13.4 scans 37% TIC 0.86% 0.0140% 5920 1.0 117 53256 1604564 1520629 1-1 0.711 38.91 -1.1 81 86 65 81 254 10.9 0.000 -0.078 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BQLD_R~1-N1058 ? Methyl pentadecanoate 39.4553 1867.6 8.3 scans 55% 74 m/z (91) 0.70% 0.0262% 6025 1.0 147 65125 2997053 2842938 1-3 15: 74 87 143 75 256 213 101 59 129 228 229 102 225 60 199 0.954 39.45 506.1 73 96 93 99 256 20.7 1.980 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1018 Neophytadiene 39.8969 1922.4 20.1 scans 96% 95 m/z 0.015% 5.85% 6100 0.1 1583 2964045 5.98% 668571002 668571002 682460455 0-0 20: 95 68 82 123 55 43 81 57 67 83 41 97 109 124 96 71 111 79 137 110 0.998 39.94 553.3 81 100 100 100 278 103.2 0.425 -0.039 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9494 1928.9 5.9 scans 74% 58 m/z (280) 0.21% 0.0965% 6109 1.3 336 213141 11020462 10300922 0-3 19: 58 43 59 71 109 55 85 110 69 41 95 124 83 250 70 56 123 81 125 0.990 39.88 560.6 75 96 97 97 250 35.5 1.119 0.066 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3331 1976.4 7.7 scans 38% 149 m/z (281) 0.22% 0.0232% 6174 1.0 144 201479 2656163 2526318 2-3 6: 149 150 104 76 205 167 0.951 40.31 601.5 75 98 95 98 223 28.1 3.788 0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N406_R~1-N1110 Phytol 40.3968 1984.3 >9 scans 25% TIC 2.1% 0.00360% 6185 0.7 106 21313 0.0101% 411117 379773 1152651 0-1 0.762 40.66 -32.9 80 87 69 87 278 13.5 1.607 -0.265 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1020 ? Contamination 44.32min 40.6212 2012.2 7.1 scans 18% 221 m/z (69) 2.3% 0.00733% 6222 1.0 82 20040 836874 744836 1-8 17: 221 73 147 207 222 369 296 223 282 295 74 401 371 283 341 267 415 0.767 44.32 564.9 71 95 91 98 369 14.6 3.179 -3.699 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1008 ?? Contamination 40.63min 40.6212 2012.2 7.1 scans 15% 221 m/z 2.2% 0.00531% 6222 1.0 74 20283 606273 539597 1-8 17: 221 73 147 207 222 369 296 223 282 295 74 401 371 283 341 267 415 0.771 40.63 632.1 67 94 73 92 369 14.5 3.865 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1254 Phytol 40.8668 2042.6 8.7 scans 39% 82 m/z (119) 1.8% 0.0278% 6264 1.4 141 25536 3182087 2771786 11-2 14: 82 81 95 123 68 110 67 124 96 113 137 53 179 278 0.924 40.87 -0.1 87 95 90 94 278 17.8 1.589 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1144 ? Sclareoloxide 41.1117 2073.0 9.4 scans 50% 109 m/z (71) 1.1% 0.0482% 6305 1.1 191 40134 5507157 5297985 2-1 16: 109 262 191 95 121 229 137 107 93 79 81 135 124 244 91 122 0.907 41.13 685.2 74 99 92 98 262 37.8 3.903 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1256 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2611 2091.5 8.0 scans 86% 79 m/z (157) 0.11% 0.274% 6331 0.9 482 391225 31278725 29729844 2-2 20: 79 67 93 95 80 91 55 108 41 81 77 94 107 135 87 78 59 105 53 66 0.992 41.26 0.5 97 98 99 100 264 33.9 0.495 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLANKB1-N1012 Contamination 41.49min 41.4447 2114.3 7.9 scans 43% 205 m/z (58) 1.6% 0.0267% 6362 0.9 150 28503 3047632 2844058 3-2 15: 205 217 175 189 177 220 232 261 233 192 219 206 203 218 163 0.902 41.49 -82.3 80 99 88 98 276 11.0 0.000 -0.045 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1018 ?? Nonadecane 41.4784 2118.4 17.9 scans 16% 85 m/z (205) 3.6% 0.0130% 6367 0.4 76 12551 1485628 1485628 0-0 18: 85 71 99 113 169 84 168 120 70 224 225 127 183 140 182 154 223 166 0.800 41.48 -0.6 66 82 81 79 268 2.3 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6602 2128.9 10.3 scans 47% 69 m/z (58) 0.21% 0.0845% 6399 0.6 236 210380 9649190 9107689 3-2 20: 69 93 41 133 67 120 79 91 55 53 77 119 161 109 70 147 94 68 216 134 0.773 41.75 731.4 71 98 75 94 272 13.3 0.000 -0.090 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0303 2149.7 8.6 scans 38% 74 m/z 0.023% 0.676% 6462 0.7 751 1986703 77233381 71563950 2-3 20: 74 87 143 75 227 270 57 239 97 185 59 171 101 199 88 71 241 56 42 84 0.783 42.01 747.7 76 97 82 96 272 10.0 0.000 0.019 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0433 2150.5 9.7 scans 56% 93 m/z (74) 0.066% 1.01% 6464 0.6 861 692898 115837954 111146736 2-1 20: 93 105 107 119 81 91 121 79 133 229 95 77 109 147 135 145 272 134 120 149 0.933 42.05 -0.1 98 100 96 100 272 102.8 1.427 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3343 2166.8 8.7 scans 67% 73 m/z (84) 0.077% 0.261% 6513 1.1 450 597877 29829491 27557444 2-3 19: 73 281 221 355 429 503 207 341 282 222 430 504 283 356 74 415 295 431 505 0.980 42.37 757.8 71 90 91 98 503 74.9 2.766 -0.034 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4010 2170.5 8.9 scans 90% 161 m/z 0.046% 1.03% 6524 0.6 914 993600 118109925 110814697 3-2 20: 161 91 79 93 105 81 77 119 107 133 67 229 41 95 121 162 69 109 120 145 0.986 42.40 0.1 98 98 97 97 272 70.2 0.589 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9134 2199.3 12.7 scans 61% TIC 0.056% 0.507% 6611 1.0 579 813564 0.773% 57954197 55029558 88217714 2-0 0.739 42.90 0.6 98 99 73 97 272 72.2 1.557 0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9949 2203.9 >11 scans 84% TIC 0.10% 0.427% 6625 0.9 580 453258 1.00% 48832253 46876857 114123822 0-2 0.953 42.99 0.3 99 99 94 98 272 105.0 3.275 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1572 2213.0 8.7 scans 80% 135 m/z 0.18% 0.296% 6652 1.0 502 254095 33798826 30730065 2-2 20: 135 107 95 94 272 91 105 119 81 93 121 134 79 41 55 133 69 77 137 67 0.943 43.15 0.2 100 99 94 99 272 98.5 3.846 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4442 2229.1 >10 scans 45% TIC 0.89% 0.0404% 6701 0.8 230 51562 4612442 4396902 1-0 0.878 43.44 0.4 87 88 82 98 272 24.1 0.000 0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5610 2235.7 9.5 scans 88% 79 m/z (143) 0.10% 0.817% 6721 0.6 760 454408 93347219 84731920 2-2 20: 79 81 95 93 91 257 109 107 69 55 119 105 41 121 216 77 134 67 137 123 0.998 43.55 0.5 98 100 99 100 272 88.9 1.367 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1242 Kaur-15-ene, (5?,9?,10?)- 43.6815 2242.4 8.9 scans 37% 79 m/z (169) 1.4% 0.0407% 6741 0.9 182 31495 4646621 4495700 0-1 20: 79 93 107 106 77 81 92 121 67 117 80 187 255 163 115 145 159 53 109 175 0.758 43.66 1.2 80 86 61 87 272 20.0 0.000 0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0581 2263.7 8.7 scans 83% 191 m/z (58) 0.080% 0.331% 6805 0.8 516 573895 37840442 36105126 2-1 20: 191 109 95 121 135 107 91 93 81 79 69 105 192 41 55 77 119 97 53 67 0.992 44.05 0.2 98 99 99 99 272 49.9 0.936 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1238 Trachylobane 44.1585 2269.5 8.1 scans 79% 79 m/z (268) 0.57% 0.119% 6822 1.0 313 80264 13617668 12224949 1-2 20: 79 81 95 93 91 135 257 69 107 41 55 109 105 119 134 121 216 77 67 137 0.990 44.15 0.2 98 100 99 100 272 37.9 1.467 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N419_R~1-N1158 ?? Manool oxide 44.2889 2277.0 8.5 scans 23% 257 m/z (221) 5.5% 0.00725% 6844 0.9 80 8332 827437 815671 1-0 9: 257 275 192 177 258 137 149 82 125 0.822 43.83 839.4 65 92 71 90 275 22.4 7.910 0.462 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5581 2292.5 8.5 scans 79% 191 m/z (57) 0.28% 0.0921% 6889 0.9 271 162183 10512861 9828348 2-3 20: 191 109 95 121 135 81 107 91 79 93 192 69 105 55 41 77 97 80 119 67 0.980 44.55 0.3 98 100 99 100 272 27.4 1.027 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1234 Thunbergol 44.9117 2312.8 9.2 scans 89% 81 m/z (214) 0.13% 0.715% 6949 1.2 686 342335 81616120 71456423 3-3 20: 81 43 95 107 93 121 67 109 69 55 79 123 147 97 135 71 149 105 136 189 0.973 44.90 0.6 98 100 98 100 272 49.8 0.527 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N6_REP1-N1180 ? UNK Alkene structure 2 44.9837 2317.0 >7 scans 54% TIC 0.70% 0.0424% 6962 2.1 259 65673 0.0759% 4840095 4840095 8661998 0-0 0.782 44.99 856.6 77 99 81 98 270 43.4 2.811 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N6_REP1-N1178 ? UNK Alkene structure 45.4802 2345.6 8.8 scans 77% TIC 0.23% 0.128% 7046 1.1 351 192949 14640081 13672147 2-0 0.927 45.47 875.7 75 97 91 96 288 14.8 0.178 0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.5658 2350.5 8.8 scans 85% 191 m/z (174) 0.13% 0.306% 7060 0.9 483 330538 0.410% 34946138 33470716 46790767 0-2 20: 191 123 95 109 69 82 125 81 124 67 55 137 107 136 41 43 121 68 192 135 0.979 45.56 0.1 98 99 98 99 290 50.4 1.089 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BWA_RE~1-N1006 ?? Contamination 45.78min 45.7901 2363.4 10.0 scans 53% 91 m/z (187) 0.66% 0.118% 7098 0.6 268 69634 0.132% 13481886 12634726 15064344 0-2 20: 91 105 131 227 281 145 79 117 143 119 133 93 77 356 129 81 270 171 157 115 0.656 45.78 0.8 64 72 2 75 503 15.1 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1228 C18:2-butanoate 46.0156 2376.4 8.9 scans 80% 67 m/z (159) 0.25% 0.239% 7136 1.0 424 184243 27349481 25615969 2-1 20: 67 81 95 55 82 96 68 169 79 41 54 109 69 110 294 80 123 83 59 155 0.981 46.00 0.8 96 97 96 99 294 39.9 0.888 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1230 C18:3-butanoate 46.1502 2384.1 9.0 scans 85% 79 m/z (294) 0.079% 0.493% 7159 0.9 606 578495 56270259 51261166 2-5 20: 79 67 95 93 108 80 81 55 91 41 107 94 77 121 109 135 149 78 59 122 0.961 46.13 0.9 96 97 97 100 292 42.8 0.499 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5245 2405.7 13.4 scans 91% 177 m/z 0.013% 2.97% 7223 0.3 1324 3533359 339977796 329567208 1-1 20: 177 95 195 69 121 107 71 109 81 137 91 133 55 105 93 135 67 125 79 41 0.996 46.49 1.7 100 100 100 100 290 190.0 2.061 0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1024 ?? Methyl stearate 46.7990 2421.5 8.0 scans 3.8% 74 m/z 0.69% 0.0140% 7269 1.1 110 65875 1600802 1423318 2-9 13: 74 87 298 143 75 255 199 101 88 267 256 200 299 0.888 46.76 926.4 61 83 52 82 298 27.8 6.399 0.038 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8751 2425.8 8.9 scans 21% 191 m/z 0.11% 0.140% 7281 0.9 338 407080 16080826 15228409 2-2 3: 191 192 190 0.667 46.86 0.9 96 98 67 96 290 53.1 0.000 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3303 2452.0 >17 scans 86% 71 m/z (290) 0.058% 2.79% 7359 0.7 841 791571 318995188 283166701 5-0 20: 71 308 174 125 137 244 275 277 291 52 158 176 166 205 96 276 72 86 262 129 0.999 47.36 -1.5 97 98 98 98 272 75.0 0.796 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1226 Sclareol 47.42min 47.4460 2458.7 >5 scans 82% TIC 0.082% 0.215% 7379 2.1 539 560736 24537707 22602915 0-9 0.956 47.42 1.6 99 99 95 98 290 78.2 2.106 0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1150 ?? UNK 46.46min 47.7423 2475.8 8.0 scans 24% 191 m/z (288) 3.0% 0.00518% 7429 0.9 66 15294 591276 541914 1-1 13: 191 137 193 109 69 217 235 192 68 82 187 59 67 0.758 46.47 986.5 63 90 77 94 235 10.7 2.570 1.277 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9596 2488.3 8.7 scans 91% 134 m/z 0.056% 0.594% 7466 0.8 694 814868 67817839 61681116 4-8 20: 134 119 81 84 191 69 95 43 79 109 55 93 41 178 121 107 123 91 67 148 0.989 47.95 0.7 100 100 99 100 272 69.9 1.014 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN N407_R~1-N1154 ? UNK 48.48min 48.4572 2516.9 8.3 scans 63% 148 m/z (295) 0.56% 0.0253% 7550 0.9 143 82302 2895814 2672232 2-2 14: 148 95 149 133 109 147 161 108 286 96 162 163 150 123 0.927 48.48 978.7 76 99 91 97 286 17.6 1.524 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9401 2544.7 8.0 scans 43% 73 m/z (69) 1.8% 0.00889% 7632 1.0 86 25146 1015346 915546 2-4 20: 73 221 429 147 281 207 222 430 295 431 355 357 341 282 325 148 74 401 296 415 0.824 48.95 994.3 70 97 84 98 429 24.9 8.460 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8510 2712.2 8.3 scans 32% 73 m/z 3.3% 0.00336% 8125 1.4 54 13646 383541 359190 2-5 18: 73 221 429 281 430 282 207 208 341 148 295 356 357 99 401 369 504 505 0.597 51.86 1081.3 70 94 58 90 503 9.9 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP3.FIN HCMIX_~1-N1034 ?? Heptacosane 59.8016 3169.6 13.4 scans 38% 43 m/z (84) 7.9% 0.00343% 9472 0.8 40 5827 392407 334031 2-4 7: 43 55 98 71 56 127 111 0.688 59.97 -9.5 60 69 60 64 380 1.8 0.000 -0.165 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1262 771.7 5.1 scans 88% 77 m/z 0.055% 0.104% 41 2.7 350 1492447 15285602 12468067 1-9 15: 77 45 78 79 62 76 59 75 63 61 47 46 92 64 48 0.993 4.37 17.7 100 100 99 100 77 299.0 72.802 -0.245 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5868 835.7 >23 scans 71% 207 m/z 0.53% 0.0379% 458 3.9 134 154748 5567991 5268939 1-1 19: 207 209 133 210 103 177 193 161 178 147 134 192 119 165 37 88 135 115 194 0.814 6.53 -141.1 79 100 91 99 207 96.3 51.990 0.059 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N506_R~1-N1176 2-Hexenal 7.6889 864.4 9.0 scans 85% 69 m/z (109) 1.6% 0.0285% 644 1.5 163 49848 4190830 4024040 1-0 20: 69 55 41 83 39 42 98 57 97 56 80 43 40 54 81 51 79 38 68 84 0.984 7.71 9.1 97 98 98 98 98 38.7 5.649 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKSTART-N1002 Contamination 12.22min 12.7150 995.3 >20 scans 49% 73 m/z 1.0% 0.0109% 1496 0.0 152 82181 0.0413% 1604468 1604468 6054121 0-0 8: 73 45 74 103 62 76 51 165 0.633 12.22 49.0 85 89 49 100 281 70.2 21.251 0.495 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.1548 1007.0 9.8 scans 87% TIC 0.14% 0.122% 1570 1.7 311 571809 17892497 16393627 5-3 0.973 13.22 43.4 92 96 94 99 110 92.0 8.761 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1022 ?? Octanal 13.3891 1013.4 7.8 scans 50% 57 m/z (45) 4.2% 0.0113% 1610 1.3 104 19411 1666743 1499707 1-5 14: 57 43 56 84 41 55 44 69 42 85 100 82 71 99 0.955 12.96 -161.4 64 87 86 89 110 4.3 0.000 0.434 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1016 ? Limonene 14.2953 1037.9 9.0 scans 53% 54 m/z 1.0% 0.0374% 1763 1.1 190 79722 5496944 4948180 2-1 20: 54 68 82 39 93 67 53 126 124 123 121 94 136 51 79 50 92 107 43 91 0.643 13.89 62.6 78 93 80 93 136 31.6 2.773 0.403 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1068 a-Toluenol 14.4671 1042.6 10.2 scans 69% 108 m/z (67) 0.53% 0.0586% 1792 1.3 211 156969 0.0699% 8599379 7808654 10246563 0-3 18: 108 79 107 77 51 90 50 89 91 78 80 63 74 52 62 76 105 75 0.978 14.11 63.6 87 100 99 100 108 93.7 19.763 0.358 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.8142 1052.0 9.5 scans 91% 91 m/z 0.043% 0.297% 1851 1.2 493 1929068 43665113 38610120 2-5 20: 91 92 120 65 63 39 89 51 50 62 90 121 64 93 74 38 61 66 52 41 0.993 14.44 67.2 89 100 99 100 120 160.3 10.579 0.372 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.3284 1065.9 8.7 scans 46% 70 m/z (95) 3.1% 0.0119% 1938 1.5 107 26432 1753945 1672390 1-1 19: 70 55 41 69 57 39 42 84 67 97 93 98 53 68 58 51 108 52 80 0.887 18.83 13.2 76 82 76 84 122 0.0 0.000 -3.502 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.4931 1070.4 11.4 scans 87% 105 m/z 0.16% 0.115% 1966 1.4 291 497588 0.144% 16918903 15904690 21108799 2-0 20: 105 77 123 51 46 106 50 78 74 124 76 75 52 79 94 104 63 53 64 62 0.988 15.17 73.0 87 99 98 99 123 104.5 12.943 0.323 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN 98-86-2 ? Acetophenone 15.5763 1072.6 >12 scans 53% 120 m/z 0.55% 0.0284% 1980 1.3 159 149830 0.0680% 4169605 3850179 9968044 0-2 14: 120 77 51 43 78 121 52 74 106 63 75 38 89 96 0.960 15.29 -173.1 79 99 95 99 120 54.5 11.795 0.283 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1028 ? p-Cymenene 16.4736 1096.9 8.7 scans 48% 132 m/z (68) 3.3% 0.00784% 2132 1.4 83 25089 1150608 1016349 2-2 12: 132 117 115 131 91 92 116 65 118 64 102 103 0.833 16.25 -177.7 77 99 97 100 132 38.8 21.927 0.220 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 16.5822 1099.9 10.3 scans 43% 95 m/z (43 105) 1.6% 0.0135% 2151 2.3 93 49486 1979204 1796953 2-1 4: 95 81 124 123 0.889 15.43 98.2 70 95 88 97 124 27.1 8.540 1.149 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1002 Undecane 16.8384 1110.6 8.5 scans 29% 57 m/z 5.2% 0.00312% 2194 1.0 62 15993 457350 434505 1-0 10: 57 43 71 85 41 99 93 56 70 84 0.692 16.59 10.6 87 93 75 91 156 8.5 0.000 0.251 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1016 ? Nonanal 17.0049 1117.7 8.3 scans 84% 57 m/z 0.33% 0.121% 2222 1.2 342 251500 17822186 15972254 5-4 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 54 71 45 0.960 16.82 95.3 78 97 94 97 124 22.0 0.000 0.190 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1004 ? Blank_Nonanal 17.0049 1117.7 8.3 scans 87% 57 m/z (138) 0.32% 0.136% 2222 1.2 348 253460 19994954 17919489 5-4 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 54 71 45 0.993 16.82 -173.7 77 98 98 98 124 22.2 0.407 0.190 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.1956 1125.7 >12 scans 42% TIC 1.9% 0.00939% 2254 1.2 108 42408 0.0175% 1376693 1305197 2565305 1-0 0.764 16.97 101.0 72 93 84 98 128 25.0 5.358 0.228 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.2711 1128.9 10.5 scans 43% 91 m/z 0.85% 0.0166% 2267 1.4 109 97791 2434957 2168173 5-2 8: 91 92 122 65 63 62 89 104 0.836 17.05 102.9 78 98 83 97 122 40.6 13.815 0.219 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1006 ? Contamination 18.13min 18.2204 1169.0 12.5 scans 56% 73 m/z 1.5% 0.0180% 2428 1.7 115 55515 2649209 2452802 6-4 20: 73 267 355 270 358 269 74 193 223 340 251 268 339 106 75 250 177 59 162 253 0.853 18.13 -162.7 78 98 81 98 355 53.0 21.363 0.089 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN M4942-N1002 ?? Pyranone 18.3160 1173.0 9.6 scans 42% 43 m/z (131) 3.1% 0.00996% 2444 1.6 86 26676 1460526 1306367 2-2 12: 43 144 101 44 72 145 42 45 53 58 146 84 0.855 20.04 -217.5 66 92 80 91 144 38.0 19.274 -1.726 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.8674 1196.3 >10 scans 40% TIC 8.9% 0.00208% 2538 1.0 64 9321 304913 304913 0-0 0.734 18.71 145.5 70 98 76 96 153 2.0 0.000 0.161 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1024 ? p-Cymene 19.3969 1218.7 10.7 scans 3.9% 119 m/z (56) 8.1% 0.00166% 2627 0.9 36 10183 243724 222529 2-0 2: 119 134 0.692 13.76 19.2 75 84 66 83 134 16.1 20.596 5.640 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.9300 1241.2 9.3 scans 67% 57 m/z 0.35% 0.0614% 2718 1.1 237 233091 9011113 8346425 2-5 19: 57 45 75 41 87 56 89 101 72 100 59 85 60 44 73 71 58 55 132 0.926 19.81 173.7 77 98 96 98 144 2.7 0.000 0.116 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1004 Dodecane 20.4176 1260.6 10.6 scans 14% 57 m/z (41) 13% 0.00158% 2800 1.9 36 6097 232590 216931 1-1 6: 57 71 85 70 113 56 0.802 20.32 2.9 80 93 76 89 170 5.7 0.000 0.098 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1034 ? Decanal 20.6313 1267.0 8.1 scans 87% 57 m/z (110) 0.53% 0.102% 2836 1.0 315 154644 15057211 13840103 5-3 20: 57 41 43 55 70 82 71 68 44 83 56 67 112 69 81 95 96 84 42 39 0.991 20.57 -140.0 73 92 95 99 138 16.9 0.288 0.062 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1006 ? Arosol 21.0439 1279.4 10.3 scans 47% 94 m/z (137) 1.0% 0.0153% 2907 1.4 111 80252 2253733 2198028 1-0 5: 94 138 66 88 45 0.801 20.98 194.4 74 95 92 99 152 4.4 0.000 0.061 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1018 ? Contamination 12.25min 21.2565 1285.8 8.4 scans 16% 281 m/z 1.5% 0.00648% 2942 1.9 76 55391 950709 873213 1-4 17: 281 282 283 249 265 207 193 267 284 266 251 208 179 194 191 209 252 0.770 12.25 132.7 75 96 65 95 281 57.6 57.172 9.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1010 ? UNK 22.91min 22.9661 1337.1 8.6 scans 29% 109 m/z (91) 0.84% 0.0309% 3232 0.9 163 99038 4530263 4039971 4-1 5: 109 69 86 110 127 0.950 22.91 223.5 71 95 91 95 127 22.0 1.826 0.053 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1016 ? Nicotine 23.3250 1347.9 >21 scans 85% 73 m/z 0.24% 0.271% 3293 0.1 366 346449 0.284% 39864116 37671747 41631243 1-4 20: 73 60 57 41 129 115 55 43 69 87 98 61 45 56 39 83 42 101 74 70 0.972 25.35 198.7 77 96 95 99 162 3.3 0.000 -2.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1040 ? Nonanoic acid 23.3250 1347.9 >21 scans 84% 73 m/z (84) 0.23% 0.290% 3293 0.1 364 353734 0.303% 42552515 40212294 44416432 1-4 20: 73 60 57 41 129 115 55 43 69 87 98 61 45 56 39 83 42 101 74 70 0.986 22.70 -127.4 74 95 95 98 158 26.4 0.525 0.629 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1006 ? Tridecane 23.8823 1364.7 17.1 scans 22% 85 m/z (43 72) 4.8% 0.00521% 3387 1.7 62 17287 0.00761% 764462 726883 1115541 0-2 2: 85 71 0.850 23.86 0.7 70 80 66 85 184 7.6 1.488 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1296 1372.9 7.0 scans 44% 73 m/z 0.81% 0.0207% 3429 1.1 159 102755 3046737 2901802 1-6 14: 73 341 429 342 147 325 430 343 431 96 74 327 344 207 0.652 24.17 -150.9 77 99 85 98 429 50.6 10.170 -0.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1050 ?? UNK 24.70min 24.7252 1392.8 8.1 scans 53% 43 m/z 1.7% 0.0121% 3530 0.9 124 46715 1786260 1623173 5-1 20: 43 69 83 41 55 82 58 142 56 111 85 113 39 70 67 71 127 123 68 143 0.881 24.70 253.2 63 84 76 95 170 4.3 0.000 0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2441 1410.2 >10 scans 26% TIC 1.9% 0.000610% 3618 0.0 60 42978 0.00249% 89405 89405 365006 0-0 0.805 25.24 -149.7 76 98 78 98 145 22.7 14.082 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1004 ? Nicotine 25.4720 1417.8 13.8 scans 90% 84 m/z 0.035% 0.791% 3657 1.7 653 2370245 115973180 104178671 2-2 20: 84 133 162 161 42 119 92 85 118 82 130 65 51 134 78 117 39 91 63 120 0.972 25.89 260.8 77 96 92 96 162 169.2 6.719 -0.420 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN GLAU_R~1-N1080 ? Solanone 25.8593 1430.7 9.7 scans 90% 93 m/z 0.022% 1.15% 3722 0.5 1015 3718683 169904857 165098670 2-1 20: 93 136 43 91 79 77 194 81 41 123 107 95 108 67 137 105 92 109 125 39 0.979 25.78 275.4 75 94 91 96 194 162.5 2.566 0.082 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1112 ?? 2-Butanone, 4-(2,2-dimethyl-6-methylenecyclohexyl)- 27.0346 1470.0 8.6 scans 12% 136 m/z (157) 11% 0.00421% 3921 1.2 61 7454 618322 534111 1-4 7: 136 137 121 93 161 176 179 0.820 27.02 296.6 60 87 65 86 208 4.7 0.000 0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1042 ?? Contamination 27.21min 27.1066 1472.4 6.8 scans 22% 221 m/z (169) 7.0% 0.00276% 3933 1.0 58 11894 404970 391781 2-1 10: 221 147 73 222 223 282 443 281 207 283 0.612 27.22 -155.4 68 95 51 93 443 7.9 1.838 -0.112 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1002 ? Contamination 27.11min 27.1066 1472.4 6.8 scans 17% 221 m/z 6.9% 0.00200% 3933 1.0 51 12022 293981 284407 2-1 10: 221 147 73 222 223 282 443 281 207 283 0.754 27.12 297.5 70 93 67 91 355 11.4 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1008 Tetradecane 27.1916 1475.2 >9 scans 55% 57 m/z 1.3% 0.0120% 3948 0.9 121 61399 0.0286% 1772658 1722731 4192442 1-0 19: 57 71 85 43 41 56 99 198 155 55 98 127 70 112 42 141 126 83 86 0.907 27.21 -0.6 94 95 86 94 198 15.3 1.581 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 28.2430 1514.7 9.5 scans 62% 111 m/z (195) 2.7% 0.0363% 4125 0.9 171 30513 5328611 4722406 2-4 18: 111 94 81 194 41 123 67 179 135 69 109 93 82 79 77 149 84 53 0.897 31.35 277.2 60 84 76 84 194 29.5 3.000 -3.105 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.4030 1520.7 8.4 scans 18% 80 m/z (101) 2.7% 0.00481% 4153 1.1 68 30178 706112 673804 2-2 6: 80 171 104 172 170 175 0.500 28.39 327.3 65 94 78 96 171 30.6 20.574 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6740 1530.9 7.9 scans 79% 43 m/z 0.17% 0.115% 4199 0.9 360 485106 16971927 15647636 1-4 20: 43 69 41 151 136 107 67 125 93 83 109 53 68 121 39 81 108 79 55 161 0.947 28.67 333.5 79 99 94 98 194 23.0 0.408 0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1008 1546.9 7.4 scans 70% 71 m/z (165) 0.46% 0.0592% 4271 1.2 252 177203 0.0748% 8683754 8337888 10964849 1-0 20: 71 57 43 85 41 70 141 55 113 56 99 112 84 183 179 97 69 42 127 140 0.910 29.10 343.0 72 96 93 95 227 5.0 0.000 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1010 Contamination 29.61min 29.5223 1562.8 >8 scans 73% TIC 0.36% 0.0603% 4343 1.1 272 228428 8842846 8174807 2-0 0.972 29.61 -150.3 80 99 96 99 503 45.9 2.850 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7731 1572.2 8.1 scans 67% 123 m/z 0.14% 0.0655% 4385 1.1 267 592463 9605030 8668861 1-3 17: 123 43 135 124 107 91 79 95 109 77 39 67 108 81 53 125 93 0.924 29.77 358.2 79 99 92 98 193 22.3 0.701 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9443 1578.6 9.2 scans 62% 71 m/z 0.66% 0.0393% 4414 0.7 195 125124 5761298 5406472 1-2 20: 71 57 85 43 99 113 127 41 69 155 70 55 84 56 83 169 126 42 86 112 0.914 29.94 362.2 72 94 91 95 254 5.2 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1010 ? Pentadecane 30.1681 1587.0 7.4 scans 38% 57 m/z (154) 2.0% 0.0131% 4452 1.2 122 41406 1922480 1776538 1-0 20: 57 85 71 43 58 99 41 84 113 56 169 55 127 155 70 98 69 86 140 42 0.869 30.38 -7.9 78 81 90 83 212 0.0 0.000 -0.209 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5111 1600.5 7.9 scans 73% 191 m/z 0.13% 0.0715% 4510 0.9 282 602336 10488932 10053752 1-2 19: 191 206 192 57 163 74 175 91 41 115 123 77 107 73 207 88 128 147 161 0.945 30.50 375.7 79 98 91 98 206 76.2 7.305 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N406_R~1-N1098 ? Olivetol 30.8334 1614.1 8.4 scans 66% 124 m/z (162) 0.68% 0.0379% 4565 0.9 189 120827 5561234 5222314 3-2 8: 124 137 180 125 138 54 152 181 0.935 30.81 384.7 74 95 89 99 180 47.4 6.296 0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1190 Berkheyaradulene 30.8924 1616.6 9.3 scans 48% 162 m/z 0.79% 0.0274% 4574 1.2 164 104327 4024805 3837588 1-3 19: 162 147 161 105 148 163 134 119 77 91 106 145 51 204 131 103 115 176 78 0.849 30.88 0.6 91 92 72 91 204 18.6 1.284 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2242 1630.5 9.7 scans 81% 111 m/z (71) 0.14% 0.222% 4631 0.7 426 568480 32646136 29615878 3-1 20: 111 109 137 180 67 110 43 152 124 95 79 77 94 81 41 39 73 112 69 91 0.956 31.20 395.1 73 97 92 96 180 91.6 4.634 0.019 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2248 1630.5 10.1 scans 80% TIC 0.14% 0.207% 4631 0.7 424 582832 30429251 27523735 3-1 0.920 31.18 395.5 77 96 95 98 180 91.8 4.693 0.047 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5188 1642.9 9.0 scans 58% 43 m/z (185) 1.0% 0.0297% 4681 0.8 156 82237 4363793 3944255 2-1 20: 43 98 111 166 55 151 127 85 82 71 68 41 57 58 123 83 67 39 59 99 0.956 31.52 0.2 94 98 94 97 166 32.1 4.231 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1196 ?? 2-Pentanone, 4-cyclohexylidene-3,3-diethyl- 31.7974 1654.6 8.6 scans 13% 193 m/z (57) 5.6% 0.00315% 4728 1.2 53 14797 462915 416506 2-3 4: 193 175 208 197 0.603 31.80 0.1 64 76 27 86 208 10.2 3.633 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9208 1659.8 8.1 scans 44% 83 m/z (94) 3.4% 0.0151% 4749 0.8 117 24358 2218262 1998835 3-1 12: 83 57 71 82 55 69 70 99 126 97 112 87 0.880 31.92 0.1 74 83 84 92 219 5.3 0.000 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1200 Contamination 32.08min 32.0926 1667.0 7.0 scans 59% 221 m/z (180) 0.73% 0.0274% 4778 1.3 174 112686 4017163 3712547 2-4 18: 221 73 147 207 222 341 355 223 295 281 267 148 342 356 268 326 343 325 0.960 32.08 0.6 95 98 95 99 355 31.0 3.177 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4356 1681.4 10.3 scans 43% 57 m/z (147) 1.8% 0.0186% 4836 1.1 125 46107 2729931 2576980 0-1 18: 57 85 71 43 56 149 41 196 55 169 42 113 83 197 97 84 182 141 0.897 32.44 -0.3 77 84 84 84 226 4.5 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1206 Spathulenol 32.6805 1691.7 8.2 scans 68% 43 m/z (157) 1.6% 0.0457% 4877 1.0 212 50741 6708024 6027753 1-2 20: 43 95 109 82 67 81 123 93 79 121 107 135 164 41 149 91 68 119 205 55 0.977 32.67 0.2 81 83 84 87 220 6.7 0.000 0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9332 1702.3 7.7 scans 39% 71 m/z 0.36% 0.0225% 4920 1.0 163 228366 3311790 3128626 3-1 9: 71 43 159 111 243 155 72 143 89 0.849 32.93 0.0 92 95 86 97 243 25.6 2.478 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1212 ? Hexadecene 33.0855 1708.7 7.9 scans 18% 97 m/z 5.8% 0.00355% 4946 1.0 78 14182 521619 483282 1-1 18: 97 83 55 69 57 41 111 70 56 84 82 71 85 98 67 68 193 152 0.517 33.09 0.0 77 94 59 90 224 2.4 0.000 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.5 scans 63% 57 m/z (105) 0.68% 0.0391% 4984 0.9 201 122283 5740660 5122345 4-5 18: 57 71 85 43 41 55 99 56 69 70 113 226 84 42 112 98 72 58 0.912 33.37 -2.7 94 96 97 98 226 22.7 1.273 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8954 1728.3 7.7 scans 25% TIC 2.9% 0.00292% 5083 0.9 90 28168 428494 380477 1-1 0.714 33.90 -0.0 85 93 77 90 197 18.4 4.176 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2709 1733.6 8.1 scans 16% 57 m/z (59) 3.1% 0.00643% 5147 1.0 80 26173 942768 899437 0-1 14: 57 71 98 211 210 183 155 182 189 169 78 204 212 166 0.636 34.27 0.0 79 90 76 91 211 15.2 3.594 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1024 Contamination 34.39min 34.4279 1735.9 9.1 scans 92% 355 m/z 0.031% 1.06% 5173 0.7 1002 2634059 155387779 143558664 2-2 20: 355 73 221 147 281 356 401 282 415 327 267 207 148 325 416 75 341 399 339 328 0.994 34.39 452.9 81 100 99 100 415 122.8 1.504 0.039 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1136 ?? Bicyclo[4.3.0]nonane, 2,2,6,7-tetramethyl-7-hydroxy- 34.5566 1737.7 8.6 scans 14% TIC 4.3% 0.00291% 5195 1.0 81 18928 427488 424474 1-0 0.378 34.61 451.4 60 95 49 92 6 0.0 0.000 -0.049 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8158 1741.4 13.8 scans 87% 91 m/z 0.057% 0.492% 5239 0.3 558 1448531 72166590 69149844 1-2 20: 91 155 199 90 65 184 89 92 44 120 137 63 106 77 39 200 64 156 51 134 0.978 34.79 452.4 80 100 97 99 199 158.9 8.105 0.030 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.9025 1742.7 7.7 scans 28% 68 m/z (81) 2.2% 0.0161% 5254 1.3 127 36446 2364544 2191208 3-4 2: 68 224 0.755 34.90 -0.0 87 94 83 96 224 16.3 1.654 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1042 ? Phytol 35.3524 1749.1 7.9 scans 75% 57 m/z 0.35% 0.128% 5330 0.9 375 233293 18765305 16649087 8-1 20: 57 43 71 69 55 81 85 41 56 95 70 126 111 83 82 84 67 96 137 109 0.939 35.35 451.7 78 99 97 99 196 32.7 0.760 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6216 1753.0 8.5 scans 47% 71 m/z (197) 1.1% 0.0457% 5376 1.2 201 70516 6701889 5815017 0-6 20: 71 97 83 69 191 81 67 55 95 137 109 153 41 82 177 206 72 136 121 53 0.933 35.70 450.3 68 92 86 91 224 14.1 0.000 -0.076 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6977 1754.1 8.2 scans 47% 193 m/z (100) 0.99% 0.0326% 5389 0.9 177 83904 4783305 4392833 6-3 5: 193 175 194 165 210 0.887 35.70 451.4 71 95 88 95 224 22.1 1.556 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1186 ?? Cotinine 36.1895 1761.1 11.1 scans 14% 98 m/z (57) 1.7% 0.0106% 5472 1.3 84 46973 1562943 1396379 3-4 7: 98 176 118 175 177 132 63 0.799 36.19 -88.7 68 95 80 93 176 31.8 14.335 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5685 1766.5 7.0 scans 42% 221 m/z 0.67% 0.0312% 5536 1.0 195 122495 4575051 4293018 3-2 20: 221 73 147 295 207 281 222 369 341 223 296 148 297 282 355 74 370 208 325 298 0.904 36.58 450.0 77 98 88 98 369 31.8 2.663 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2007 1775.6 8.3 scans 26% 209 m/z (71) 1.3% 0.0145% 5643 0.9 118 60860 2136131 1944677 3-1 14: 209 224 181 165 210 167 178 193 166 211 103 152 194 191 0.868 37.20 449.3 73 96 87 98 224 36.7 9.648 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1016 ? Octadecane 37.3052 1777.0 8.6 scans 36% TIC 1.4% 0.00799% 5661 1.0 145 55949 1171348 1032184 1-1 0.901 38.91 -23.0 79 82 81 80 254 3.1 0.000 -1.605 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3955 1778.3 8.9 scans 71% 191 m/z (71) 0.84% 0.0948% 5676 1.0 290 98585 13902273 12641331 2-6 18: 191 121 95 109 220 135 205 91 107 123 105 93 79 133 77 192 159 187 0.988 34.14 499.1 66 88 89 88 220 52.3 3.251 3.260 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0626 1787.9 8.6 scans 42% TIC 0.85% 0.0152% 5789 1.1 171 97513 2232477 2086864 1-0 0.900 38.06 448.2 73 96 89 95 225 34.3 4.003 0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1028 Contamination 38.59min 38.6299 1796.0 8.5 scans 92% 73 m/z 0.029% 1.09% 5885 0.9 1047 2845707 160533479 153195835 2-2 20: 73 429 147 221 355 281 431 207 401 357 74 148 295 342 267 325 223 432 343 327 0.982 38.59 447.9 80 99 98 100 429 315.5 9.096 0.039 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N406_R~1-N1014 ?? Phytol 40.66min 39.8802 1920.3 >11 scans 9.5% 201 m/z 0.15% 0.225% 6097 0.1 459 550178 33046258 30785731 1-0 7: 201 278 76 243 225 268 211 0.122 40.66 539.8 64 88 14 87 278 94.4 4.238 -0.782 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1018 Neophytadiene 40.0048 1935.7 >22 scans 93% 95 m/z 0.022% 6.19% 6118 0.1 1667 3635634 908563097 860971594 0-5 20: 95 68 82 69 83 57 41 97 109 96 124 111 137 110 94 125 85 70 39 138 0.999 39.94 566.6 80 99 99 99 278 117.9 0.501 0.069 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 40.0331 1939.2 >3 scans 41% 58 m/z 0.29% 0.0458% 6123 2.9 355 277838 6718032 6214606 0-2 17: 58 59 43 71 250 109 110 85 70 210 124 56 179 165 113 111 125 0.918 39.88 570.9 70 92 86 92 250 41.6 1.379 0.150 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3708 1981.1 7.5 scans 31% 149 m/z (85) 0.23% 0.0328% 6180 1.0 190 356985 4813195 4610317 2-1 6: 149 150 104 76 205 50 0.909 40.31 606.2 74 96 91 99 223 38.7 4.133 0.066 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N406_R~1-N1110 Phytol 40.4363 1989.2 8.6 scans 39% 82 m/z (205) 1.3% 0.0442% 6191 0.9 204 59799 6491583 6202851 2-0 14: 82 81 95 68 123 96 124 109 67 83 138 79 278 110 0.972 40.66 -28.0 84 89 92 92 278 22.1 1.173 -0.226 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6169 2011.6 7.2 scans 8.5% 221 m/z (134) 1.3% 0.0162% 6222 1.0 135 59922 2385271 2217774 1-3 18: 221 73 295 207 281 222 369 355 223 296 370 297 282 341 283 371 265 74 0.861 40.63 631.5 70 95 91 97 369 23.7 3.103 -0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1254 Phytol 40.9115 2048.1 7.6 scans 34% TIC 1.1% 0.0199% 6272 1.0 217 71922 0.0327% 2924125 2791574 4793457 0-1 0.729 40.87 5.4 84 96 78 94 278 30.0 1.916 0.044 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1144 ? Sclareoloxide 41.1293 2075.2 9.4 scans 44% 109 m/z 0.96% 0.0579% 6309 1.1 260 85893 8496261 7988253 1-1 20: 109 191 262 81 95 123 43 177 121 107 229 137 79 136 135 93 149 41 247 71 0.824 41.13 687.4 75 96 79 96 262 55.8 4.590 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2905 2095.1 16.0 scans 23% 94 m/z (155) 3.7% 0.0429% 6336 0.9 156 22490 6300312 5823820 1-1 14: 94 108 95 83 93 97 161 87 122 134 120 228 68 229 0.761 41.26 4.1 73 84 82 85 264 6.3 0.000 0.033 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLANKB1-N1012 Contamination 41.49min 41.4900 2119.4 8.9 scans 68% 205 m/z (113) 0.47% 0.148% 6370 0.7 367 176083 21803739 20349584 2-1 18: 205 57 217 175 189 220 177 232 55 261 191 203 192 163 206 233 176 109 0.976 41.49 -77.2 84 100 98 100 276 24.6 0.447 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.7120 2131.9 10.1 scans 49% 69 m/z (43) 0.33% 0.101% 6408 0.8 283 251807 14828345 13512157 1-3 20: 69 93 81 41 120 133 67 79 68 95 91 77 55 121 53 134 119 161 94 109 0.966 41.75 734.4 72 95 96 97 272 11.8 0.000 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0621 2151.5 7.8 scans 5.4% 74 m/z 0.22% 0.0785% 6467 1.0 292 376613 0.0828% 11514111 10614607 12137560 2-5 10: 74 87 75 270 239 59 101 88 241 271 0.560 42.01 749.5 73 97 69 95 272 11.7 0.000 0.051 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1258 Diterpene 42.0min 42.1435 2156.1 18.9 scans 90% TIC 0.040% 4.12% 6481 0.2 1493 2049511 604833855 585735130 0-3 0.976 42.05 5.5 99 99 97 99 272 190.6 1.630 0.099 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3543 2167.9 8.1 scans 52% 73 m/z (270) 0.19% 0.146% 6516 0.9 382 436029 21419486 20174871 2-3 19: 73 281 221 355 429 503 341 207 282 356 504 283 222 74 415 505 295 357 431 0.973 42.37 758.9 71 91 89 98 503 63.8 2.794 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4481 2173.2 10.9 scans 87% 161 m/z 0.049% 1.64% 6532 0.5 1141 1690972 240426480 219534012 3-11 20: 161 91 93 79 105 81 77 119 133 107 229 121 55 69 109 135 147 117 131 106 0.986 42.40 2.8 98 97 97 97 272 91.0 0.636 0.049 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9700 2202.5 21.8 scans 37% 119 m/z 0.12% 0.520% 6620 0.7 630 645471 0.783% 76256908 71198636 114779097 2-0 20: 119 105 91 120 95 79 107 121 147 55 189 109 81 93 41 69 77 191 175 145 0.530 42.90 3.8 87 90 47 86 272 80.8 0.000 0.067 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1246 Thunbergen/Cembrene 43.0326 2206.0 21.6 scans 82% 134 m/z (157) 0.076% 0.900% 6631 1.0 921 1095397 1.99% 131981962 127417380 291711881 0-3 20: 134 135 119 272 133 121 159 136 147 105 91 107 145 175 93 161 173 55 257 187 0.955 42.99 2.4 97 98 97 98 272 164.8 3.199 0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N479_R~1-N1172 ?? 3-(4,8,12-Trimethyltridecyl) furan 43.0503 2207.0 8.3 scans 12% 82 m/z (187) 0.10% 0.106% 6634 1.0 315 782768 15594056 13966463 10-2 11: 82 292 96 138 293 247 249 248 222 261 277 0.596 43.03 784.9 61 96 70 90 292 46.8 2.203 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1943 2215.1 9.9 scans 66% 135 m/z (191) 0.24% 0.448% 6659 1.3 579 344649 65813109 60134124 2-1 20: 135 107 272 94 95 134 91 119 105 81 121 93 79 41 55 133 69 67 77 120 0.980 43.15 2.3 96 98 97 98 272 112.9 3.808 0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4907 2231.7 >9 scans 36% TIC 0.57% 0.0623% 6709 0.9 366 145312 9132705 8647945 1-0 0.902 43.44 3.0 86 84 80 97 272 42.3 1.335 0.054 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1262 Diterpene 43.6min 43.6164 2238.8 10.7 scans 80% 79 m/z (131) 0.093% 1.38% 6730 0.5 1028 890446 202519311 194253516 1-1 20: 79 81 95 93 135 109 69 107 119 121 55 41 134 137 77 67 147 123 133 148 0.998 43.55 3.6 97 98 98 98 272 128.2 1.553 0.064 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1242 Kaur-15-ene, (5?,9?,10?)- 43.7002 2243.5 9.3 scans 17% 148 m/z (159) 0.80% 0.0433% 6744 1.4 198 103320 6358013 5747208 0-1 19: 148 133 119 190 256 169 149 147 84 272 57 175 69 134 97 146 113 112 257 0.728 43.66 2.3 88 95 76 94 272 24.6 1.545 0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.1111 2266.8 9.9 scans 71% 191 m/z 0.054% 0.679% 6814 0.6 794 1528075 0.738% 99651445 92078264 108182597 3-4 20: 191 109 95 121 135 107 91 79 81 69 192 105 55 41 97 77 67 80 272 53 0.935 44.55 -25.4 97 98 94 98 272 79.9 1.012 -0.442 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.1111 2266.8 9.9 scans 77% 191 m/z (137) 0.054% 0.834% 6814 0.6 823 1534421 0.907% 122399562 113097599 132956118 3-4 20: 191 109 95 121 135 107 91 79 81 69 192 105 55 41 97 77 67 80 272 53 0.989 44.05 3.3 97 99 99 99 272 79.3 0.928 0.058 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1238 Trachylobane 44.2002 2271.9 8.2 scans 59% 79 m/z (145) 0.46% 0.190% 6829 1.1 429 179334 27907675 25035453 1-2 20: 79 81 95 257 93 135 91 216 107 134 69 272 109 41 55 201 67 119 148 105 0.997 44.15 2.6 95 96 97 96 272 55.5 1.674 0.046 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2994 2277.6 7.2 scans 4.8% 221 m/z 3.2% 0.00527% 6846 0.9 80 25615 773632 716128 2-2 12: 221 73 207 369 281 222 295 296 371 370 297 355 0.666 44.32 830.3 66 96 77 95 369 16.8 4.400 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N419_R~1-N1158 ?? Manool oxide 44.3254 2279.1 9.0 scans 20% 275 m/z (176) 3.2% 0.0283% 6850 1.0 162 25650 4155527 3784004 1-2 5: 275 257 192 258 276 0.919 43.83 841.5 68 93 84 93 275 37.3 5.325 0.498 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1234 Thunbergol 44.9275 2313.8 >10 scans 30% 107 m/z (243) 0.95% 0.0838% 6952 0.9 262 87476 12293240 10941973 1-1 20: 107 43 229 71 137 189 68 302 139 247 125 111 232 126 244 163 217 272 82 180 0.949 44.90 1.6 80 84 77 86 272 20.6 0.620 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N6_REP1-N1180 ? UNK Alkene structure 2 45.0704 2322.0 13.2 scans 76% 105 m/z 0.080% 1.72% 6976 0.4 1125 1037670 1.91% 252739978 251479738 279984770 2-0 20: 105 145 119 133 157 159 134 143 129 117 147 79 115 128 132 185 120 173 142 146 0.947 44.99 861.6 79 98 96 100 270 178.2 2.509 0.081 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5651 2350.4 10.6 scans 73% 81 m/z (170) 0.053% 1.26% 7060 0.6 978 1561129 1.49% 185369286 174707827 218417438 2-0 20: 81 43 71 79 107 93 53 41 135 55 149 67 133 94 108 245 68 77 147 91 0.974 45.47 880.5 75 96 97 97 288 47.2 0.232 0.091 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.6176 2353.5 >7 scans 64% 191 m/z 0.15% 0.378% 7069 2.1 710 530486 1.22% 55505431 53490690 178838439 0-1 20: 191 123 107 125 124 82 69 43 109 206 137 79 136 81 290 67 96 55 93 150 0.963 45.56 3.1 95 95 94 95 290 58.3 0.674 0.055 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7941 2363.6 7.7 scans 2.7% 73 m/z 1.4% 0.0133% 7099 1.1 121 58287 1952586 1841131 2-5 19: 73 355 221 281 356 357 342 429 341 282 222 415 295 401 430 431 504 283 339 0.812 45.78 1.0 89 92 65 90 503 13.6 1.266 0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1150 ?? UNK 46.46min 46.5132 2405.0 >9 scans 46% TIC 0.063% 0.466% 7221 0.3 833 1304935 1.17% 68362526 64157717 171508995 1-0 0.955 46.47 915.7 68 84 87 97 235 93.8 1.270 0.048 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5444 2406.8 16.1 scans 89% TIC 0.026% 1.14% 7226 0.9 1188 3163101 2.28% 167252277 167252277 334222657 0-0 0.997 46.49 2.8 100 99 99 99 290 169.7 2.041 0.049 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.9075 2427.7 10.5 scans 45% TIC 0.13% 0.234% 7288 0.9 554 611303 34323347 30885526 2-0 0.879 46.86 2.8 93 95 90 98 290 67.9 1.499 0.048 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1226 ? Sclareol 47.42min 46.9984 2432.9 >7 scans 5.2% 291 m/z (83) 1.1% 0.0176% 7303 1.2 151 73543 0.0274% 2586419 2586419 4016535 0-0 20: 291 178 195 177 155 196 154 197 71 270 243 103 267 142 198 171 112 143 111 167 0.760 47.42 -24.2 77 85 61 83 290 24.7 2.664 -0.420 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1224 Sclareol 47.35min 47.4122 2456.8 19.2 scans 49% 134 m/z 0.059% 0.362% 7373 2.8 692 1404605 0.982% 53190181 50094365 143950285 0-2 16: 134 119 84 191 81 79 55 93 123 148 69 135 95 272 83 92 0.694 47.36 3.3 93 94 64 93 272 90.9 1.726 0.056 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9843 2489.7 8.8 scans 79% 134 m/z (253) 0.083% 0.538% 7470 0.8 690 993273 0.669% 78981625 71903020 98067964 7-0 20: 134 119 81 84 95 79 69 135 178 43 93 41 55 109 121 148 107 123 91 191 0.965 47.95 2.1 96 98 94 98 272 75.2 1.188 0.037 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN N407_R~1-N1154 ? UNK 48.48min 48.4784 2518.1 8.7 scans 73% 148 m/z 0.12% 0.147% 7554 0.9 395 683881 21591001 20039648 2-2 20: 148 95 149 133 147 69 109 161 108 43 286 96 41 135 55 178 67 81 71 121 0.953 48.48 979.9 79 98 94 98 286 51.1 1.670 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BLKEND~1-N1018 ?? Contamination 48.95min 48.9241 2543.8 7.7 scans 23% 73 m/z (187) 2.3% 0.0114% 7629 1.1 108 36027 1684316 1516594 2-6 18: 73 147 429 221 355 207 430 356 431 357 341 295 74 281 415 503 358 401 0.767 48.95 993.4 69 95 86 98 429 29.9 7.722 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8444 2711.8 8.2 scans 32% 147 m/z (280) 2.7% 0.00947% 8123 1.1 94 29874 1388613 1274836 2-4 17: 147 221 281 355 415 430 207 356 325 429 503 369 267 148 295 504 296 0.827 51.86 1080.9 74 99 87 98 503 13.8 2.143 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP4.FIN HCMIX_~1-N1034 ? Heptacosane 59.7673 3167.6 13.2 scans 40% 127 m/z 5.6% 0.00392% 9466 1.7 55 14646 575310 569712 0-2 4: 127 56 97 69 0.614 59.97 -11.5 71 77 52 71 380 3.9 0.000 -0.200 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1002 Contamination 4.37min 4.1204 771.5 5.7 scans 82% 77 m/z (55) 0.078% 0.0909% 39 3.5 268 872164 10778178 8935000 1-4 16: 77 45 78 79 62 76 59 75 61 63 47 46 92 64 80 65 0.991 4.37 17.5 99 100 100 100 77 228.4 72.593 -0.251 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1016 ? Pivalic acid 6.2462 826.9 11.5 scans 54% 57 m/z (56) 1.0% 0.0168% 400 0.2 92 64291 2001609 1758099 1-10 7: 57 39 87 102 40 55 86 0.896 6.03 -134.7 70 94 90 97 102 10.2 1.218 0.213 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5956 836.0 17.8 scans 53% TIC 0.72% 0.0175% 459 2.1 97 95136 2083831 1962654 1-1 0.634 6.53 -140.8 78 100 80 99 207 75.4 60.526 0.068 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N506_R~1-N1176 2-Hexenal 7.6848 864.3 8.6 scans 88% 69 m/z (95) 0.70% 0.0753% 643 2.2 219 97699 8934258 8325803 1-2 19: 69 55 41 83 39 42 57 98 70 97 56 80 53 79 54 40 68 38 51 0.974 7.71 9.0 97 99 96 98 98 46.5 4.513 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKSTART-N1002 Contamination 12.22min 12.3413 985.6 >14 scans 27% 283 m/z (60) 3.9% 0.00551% 1432 13.7 55 17363 653709 576240 0-1 5: 283 251 266 191 282 0.605 12.22 39.3 84 93 55 95 281 32.2 34.012 0.121 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 12.6855 994.5 10.3 scans 92% TIC 0.14% 0.147% 1490 2.0 287 478951 17494968 16291348 2-1 0.986 13.22 30.9 95 96 96 99 110 84.5 8.672 -0.537 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1022 ?? Octanal 12.9370 1001.1 8.1 scans 56% 57 m/z (59) 4.8% 0.0116% 1533 1.4 93 14251 1385436 1257894 1-3 15: 57 43 56 84 41 44 55 69 82 42 85 100 68 67 54 0.957 12.96 -173.7 69 94 89 95 110 8.7 0.000 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1016 Limonene 13.9146 1027.6 8.4 scans 60% 68 m/z 0.91% 0.0335% 1699 1.1 169 74858 3971711 3681236 2-0 20: 68 93 67 94 121 79 124 136 53 39 92 107 123 91 77 41 95 81 80 43 0.728 13.89 52.3 87 99 87 99 136 34.5 4.152 0.023 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1068 a-Toluenol 14.0993 1032.6 10.8 scans 70% 108 m/z (67) 0.54% 0.0599% 1730 1.3 187 125625 0.0731% 7103391 6437831 8666104 0-3 19: 108 79 107 77 51 90 78 89 50 91 80 65 63 76 74 105 52 62 75 0.980 14.11 53.6 90 100 99 100 108 82.6 19.416 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 14.4582 1042.3 9.5 scans 92% 91 m/z 0.063% 0.207% 1791 1.5 366 1072865 24595464 22201727 2-4 20: 91 92 120 65 63 39 89 51 50 62 121 90 64 93 74 38 66 49 61 52 0.989 14.44 57.5 91 100 99 100 120 119.9 10.732 0.016 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.0226 1057.6 8.8 scans 54% 83 m/z (113) 2.8% 0.0159% 1886 1.3 106 24300 1885576 1758851 1-2 19: 83 70 55 41 69 57 39 42 84 53 97 56 81 58 98 54 79 40 111 0.916 18.83 4.9 74 78 75 83 122 2.9 0.000 -3.807 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.1838 1062.0 11.1 scans 89% 105 m/z 0.11% 0.193% 1914 1.9 315 601092 22917100 21245218 2-2 20: 105 77 123 51 46 106 50 78 74 76 75 79 64 38 94 39 49 62 37 124 0.975 15.17 64.6 89 99 98 99 123 113.3 12.910 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN 98-86-2 ? Acetophenone 15.2711 1064.3 12.4 scans 22% 120 m/z (122) 2.1% 0.0123% 1929 1.3 84 31813 1462429 1310779 0-2 6: 120 107 121 89 106 125 0.913 15.29 -181.4 71 93 88 96 120 35.1 17.396 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1070 3,5-Octadien-2-one 15.4352 1068.8 9.3 scans 64% 95 m/z (57) 0.36% 0.0673% 1956 1.7 207 187864 7982848 7029499 2-4 17: 95 81 124 79 53 109 39 65 82 66 96 51 77 63 125 92 123 0.826 15.43 67.1 85 99 96 100 124 61.1 8.730 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1028 ? p-Cymenene 16.2222 1090.1 9.0 scans 33% 132 m/z 4.9% 0.00362% 2089 1.4 52 13927 429806 388905 1-3 10: 132 117 115 133 91 92 118 64 99 50 0.737 16.25 -184.5 75 98 73 96 132 28.9 30.617 -0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1002 Undecane 16.6094 1100.9 8.3 scans 56% 57 m/z (59) 4.3% 0.00645% 2155 1.0 70 15689 764675 688759 2-1 17: 57 43 71 85 41 98 56 70 55 42 99 84 39 113 58 86 156 0.885 16.59 0.9 87 93 89 94 156 8.9 1.618 0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1016 Nonanal 16.7841 1108.3 8.4 scans 86% 57 m/z 0.34% 0.126% 2185 1.2 308 197326 14988142 12969750 8-4 20: 57 41 56 55 43 98 70 44 69 82 68 95 96 81 67 39 42 71 54 114 0.980 16.82 85.9 81 98 97 97 124 19.8 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 16.9624 1115.9 8.5 scans 33% 71 m/z 2.1% 0.00687% 2215 1.3 81 31440 815354 810907 0-3 14: 71 95 110 43 58 85 72 57 84 69 113 70 129 127 0.809 16.97 91.2 74 94 73 93 128 22.5 7.625 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.0545 1119.7 10.6 scans 60% 91 m/z (81) 0.72% 0.0264% 2231 1.4 121 95057 3129868 2832177 5-2 8: 91 92 122 65 89 103 63 104 0.926 17.05 93.7 76 96 93 100 122 40.7 11.299 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1006 ? Contamination 18.13min 18.0734 1162.8 13.4 scans 58% 73 m/z 1.8% 0.0167% 2403 1.7 94 36960 1986883 1810938 3-4 15: 73 355 267 357 339 356 74 251 237 359 207 162 223 358 133 0.850 18.13 -168.9 78 98 78 97 355 44.9 22.746 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1266 ?? Octanoic acid 18.4141 1177.2 11.7 scans 28% 60 m/z (67) 11% 0.00361% 2461 0.8 43 6115 428459 375587 3-1 6: 60 69 108 88 115 101 0.874 22.03 -131.9 61 88 74 89 175 0.0 0.000 -3.620 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1076 ?? 10-Methylundec-3-en-4-olide 18.7027 1189.4 9.2 scans 34% TIC 11% 0.00158% 2510 1.3 52 5751 188073 164803 1-1 0.734 18.71 138.6 67 94 73 92 153 1.9 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.1230 1207.1 8.6 scans 24% 82 m/z (73) 4.2% 0.00265% 2581 1.4 45 16125 314476 293191 1-0 3: 82 54 43 0.847 19.12 150.0 65 90 80 90 97 7.0 2.385 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1012 ?? Nicotine 19.7199 1232.3 9.9 scans 2.4% 133 m/z 10% 0.000203% 2682 0.6 20 6587 24031 22947 0-1 6: 133 77 97 78 95 79 0.535 25.78 77.0 62 100 100 100 162 0.0 0.000 -6.058 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1024 ? p-Cymene 19.7523 1233.7 10.0 scans 52% 119 m/z (57) 0.57% 0.0305% 2688 1.2 138 120009 3619711 3326461 2-4 7: 119 91 134 65 120 64 118 0.949 13.76 34.2 75 82 71 83 134 48.7 12.470 5.995 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1062 ? Ethanol, 1-(2-butoxyethoxy)- 19.7972 1235.6 8.1 scans 77% 57 m/z 0.26% 0.0796% 2695 1.1 257 261467 9444149 8852421 2-5 19: 57 45 41 75 87 56 89 72 100 101 59 85 73 60 44 71 58 132 55 0.964 19.81 168.1 77 97 93 99 144 0.0 0.000 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1004 ? Dodecane 20.3226 1257.8 10.8 scans 19% 57 m/z (103) 8.9% 0.00263% 2784 1.1 39 7656 311821 273144 4-4 5: 57 85 71 168 84 0.728 20.32 0.1 78 93 73 88 170 6.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1034 ? Decanal 20.5263 1263.9 8.1 scans 88% 57 m/z 0.45% 0.118% 2819 1.0 314 150558 14023850 12846592 5-2 20: 57 41 43 55 82 70 71 68 83 56 44 67 112 69 81 96 95 84 42 39 0.965 20.57 -143.1 75 92 95 99 138 16.4 0.272 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1004 ?? Blank_Nonanal 20.5263 1263.9 8.1 scans 90% 57 m/z (137) 0.45% 0.129% 2819 1.0 319 150668 15385598 14094026 5-2 20: 57 41 43 55 82 70 71 68 83 56 44 67 112 69 81 96 95 84 42 39 0.995 16.82 -27.5 69 72 86 75 124 3.1 0.000 3.711 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1006 ? Arosol 20.9401 1276.3 9.9 scans 54% 94 m/z (137) 0.87% 0.0187% 2889 1.4 109 78640 2226681 2025554 2-1 5: 94 138 66 45 76 0.899 20.98 191.3 73 94 90 98 152 3.8 0.000 -0.043 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 20.9926 1277.9 9.5 scans 66% 137 m/z (94) 1.4% 0.0369% 2898 1.0 160 48894 4381373 4085664 2-2 13: 137 152 109 123 81 67 91 93 41 153 119 53 124 0.880 21.00 192.6 64 87 76 87 155 2.1 0.000 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1018 ? Contamination 12.25min 21.1739 1283.3 8.3 scans 8.3% 281 m/z 2.3% 0.00351% 2929 1.4 51 29212 416111 354125 2-7 14: 281 282 249 283 193 100 251 207 267 265 194 133 266 284 0.640 12.25 130.2 73 97 54 95 281 41.8 68.321 8.923 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1016 ? Nicotine 23.0723 1340.3 15.3 scans 67% 60 m/z 0.70% 0.0657% 3250 0.3 186 96595 7800395 6933625 2-5 20: 60 73 57 55 129 115 41 43 98 69 39 42 45 87 56 96 61 74 83 70 0.878 25.35 191.1 76 99 89 98 162 0.0 0.000 -2.282 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1040 ? Nonanoic acid 23.0723 1340.3 13.7 scans 70% TIC 0.73% 0.0510% 3250 0.3 189 93226 6052405 5688103 1-1 0.923 22.70 -135.0 75 96 92 99 158 13.3 0.000 0.376 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1006 ? Tridecane 23.8356 1363.2 8.7 scans 26% 57 m/z (123) 3.1% 0.00724% 3379 1.1 69 21538 859401 751225 5-2 5: 57 85 184 44 56 0.497 23.86 -0.8 76 88 77 85 184 9.9 0.000 -0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1002 ? Contamination 24.17min 24.0942 1371.8 7.0 scans 36% 341 m/z 1.1% 0.0154% 3423 1.1 122 60005 1826066 1741461 1-5 17: 341 73 429 342 325 343 147 430 326 344 74 251 327 432 311 431 75 0.865 24.17 -152.0 78 98 83 98 429 39.9 10.684 -0.077 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1084 ? Pentadecane 24.5387 1386.6 >8 scans 54% TIC 2.1% 0.00543% 3498 1.1 95 31554 0.0147% 644852 644852 1742705 0-0 0.950 24.54 249.3 73 96 90 95 169 10.3 1.176 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1032 ?? Dodecane 24.8681 1397.6 9.0 scans 22% 127 m/z (69) 8.0% 0.00313% 3554 1.6 47 8491 371905 359850 0-1 5: 127 57 85 99 113 0.765 20.36 -2.6 61 73 65 72 170 0.0 0.000 4.510 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2017 1408.7 7.4 scans 33% 43 m/z 1.5% 0.00461% 3611 0.7 68 44303 546597 460673 5-9 11: 43 103 145 116 115 146 73 137 86 61 74 0.900 25.24 -151.2 76 99 90 98 145 26.6 15.298 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1004 ? Nicotine 25.4207 1416.1 14.4 scans 94% 84 m/z 0.011% 2.38% 3648 0.5 1085 5848980 282780727 261595626 2-4 20: 84 133 162 161 119 42 92 118 130 82 65 117 51 91 39 63 77 55 104 159 0.999 25.89 259.1 78 97 96 97 162 290.9 7.194 -0.471 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN GLAU_R~1-N1080 ? Solanone 25.8180 1429.3 9.1 scans 95% 93 m/z 0.020% 1.23% 3715 0.5 961 3309364 145949088 141847091 2-1 20: 93 121 136 43 91 79 77 194 81 94 123 95 107 108 67 105 92 122 55 125 0.993 25.78 274.0 75 93 92 96 194 153.3 2.542 0.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.0872 1471.7 6.7 scans 12% 221 m/z 12% 0.000980% 3930 1.3 32 5436 116121 115989 2-0 7: 221 147 281 222 267 355 223 0.671 27.12 296.8 64 90 61 87 355 7.6 0.000 -0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1042 ?? Contamination 27.21min 27.0872 1471.7 6.7 scans 17% 221 m/z (71) 12% 0.00140% 3930 1.3 38 5446 166571 166381 2-0 7: 221 147 281 222 267 355 223 0.628 27.22 -156.1 64 93 56 90 443 5.4 0.000 -0.132 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1008 Tetradecane 27.1687 1474.5 >9 scans 54% 57 m/z 1.1% 0.0137% 3944 1.0 115 61023 0.0332% 1625805 1558110 3935905 1-0 20: 57 71 85 43 41 56 198 99 70 42 55 112 127 113 155 84 69 126 154 86 0.814 27.21 -1.3 93 95 74 93 198 16.2 2.007 -0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1032 ?? Myosmine 27.9780 1504.7 20.6 scans 51% 146 m/z (43) 2.1% 0.0130% 4080 0.8 93 31666 0.0254% 1541430 1494617 3011204 1-0 13: 146 145 118 105 59 64 51 95 42 73 68 78 104 0.874 27.93 318.0 68 88 80 98 146 41.5 19.860 0.047 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1130 ?? 2(1H)-Naphthalenone, octahydro-4a,7,7-trimethyl-, cis- 28.2094 1513.4 9.1 scans 55% 111 m/z (85) 4.4% 0.0241% 4120 1.1 131 15459 2863582 2677138 1-3 20: 111 121 94 179 67 81 123 194 93 109 79 161 151 97 41 55 107 91 137 110 0.861 31.35 275.9 64 88 75 87 194 20.9 2.527 -3.139 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1046 ?? UNK Pyridoindol 28.3818 1519.9 8.9 scans 27% 80 m/z (81 123) 1.6% 0.00811% 4149 1.0 77 40733 961648 899416 2-2 6: 80 171 104 103 172 168 0.846 28.39 326.5 68 96 86 96 171 35.3 20.969 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6575 1530.3 7.8 scans 84% 43 m/z 0.11% 0.184% 4196 0.9 404 578387 21814365 20149661 2-10 20: 43 69 41 151 107 136 67 93 83 109 125 53 68 39 121 81 79 108 91 77 0.969 28.67 332.9 79 99 96 99 194 26.0 0.414 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.0878 1546.4 7.3 scans 74% 71 m/z (111) 0.32% 0.0850% 4269 1.2 273 210579 0.106% 10086987 9643911 12566444 1-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 97 177 69 183 42 220 127 0.955 29.10 342.5 72 95 95 95 227 5.3 0.000 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1010 Contamination 29.61min 29.5034 1562.1 7.9 scans 94% TIC 0.044% 0.668% 4339 1.1 755 1553175 79226498 72439401 2-1 0.985 29.61 -151.0 80 99 97 99 503 130.7 2.998 -0.111 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1022 ? Nicotyrine 29.6339 1567.0 12.2 scans 10% 158 m/z 0.14% 0.111% 4362 1.1 256 463556 13168144 12660691 1-4 20: 158 157 130 159 117 89 156 90 104 142 161 62 64 143 38 76 155 74 101 87 0.636 29.68 354.4 74 96 67 94 158 166.5 42.267 -0.048 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7567 1571.6 8.0 scans 63% 123 m/z 0.14% 0.0608% 4382 1.0 232 468753 7219244 6689971 1-2 13: 123 135 124 107 91 79 109 95 77 193 125 93 53 0.913 29.77 357.6 79 99 91 99 193 19.7 0.725 -0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1010 ? Pentadecane 29.9338 1578.2 8.9 scans 76% 71 m/z (181) 0.36% 0.0941% 4412 0.7 252 188259 11159765 10775209 1-2 20: 71 57 85 43 99 113 127 41 69 55 70 155 84 169 56 83 112 72 86 42 0.953 30.38 -16.7 79 83 90 83 212 2.4 0.000 -0.443 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9338 1578.2 8.9 scans 71% 71 m/z 0.35% 0.0768% 4412 0.7 243 193893 9113227 8799193 1-2 20: 71 57 85 43 99 113 127 41 69 55 70 155 84 169 56 83 112 72 86 42 0.910 29.94 361.8 76 98 91 97 254 7.0 0.000 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1042 2,4-Bis(tert-butyl)phenol 30.4958 1599.9 7.9 scans 78% 191 m/z 0.080% 0.126% 4507 0.9 332 853814 15049611 13713389 2-5 20: 191 206 192 57 163 74 91 175 115 41 107 207 88 73 147 77 128 161 105 79 0.955 30.50 375.1 80 99 95 99 206 91.1 7.526 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N406_R~1-N1098 ? Olivetol 30.8181 1613.4 8.6 scans 57% 124 m/z (71 162) 1.1% 0.0277% 4562 0.9 144 60893 3290574 3100925 2-5 7: 124 137 180 125 138 54 168 0.946 30.81 384.0 71 94 88 98 180 35.2 6.019 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1190 Berkheyaradulene 30.8724 1615.7 9.9 scans 66% TIC 0.53% 0.0360% 4571 1.2 194 129093 4276439 4057435 1-1 0.872 30.88 -0.3 93 95 80 94 204 21.6 1.238 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9243 1617.9 8.7 scans 2.6% 172 m/z 15% 0.000756% 4580 2.2 23 4407 0.000812% 89582 80620 96264 3-0 2: 172 171 1.000 30.93 -0.1 69 83 67 83 171 16.2 51.017 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2018 1629.6 9.9 scans 71% TIC 0.15% 0.176% 4627 0.7 358 454607 20982418 19202348 2-2 0.878 31.18 394.6 77 98 88 98 180 81.5 5.165 0.024 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1044 ? UNK 31.21min 31.2018 1629.6 9.4 scans 81% 111 m/z (71) 0.15% 0.212% 4627 0.7 381 447093 25166569 23370859 2-2 20: 111 109 137 67 180 110 43 124 152 94 95 79 81 41 77 39 185 112 93 53 0.987 31.20 394.2 72 94 95 96 180 81.3 4.549 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5082 1642.4 9.2 scans 59% 43 m/z (105) 0.92% 0.0324% 4679 1.0 150 73758 3844280 3568112 3-1 19: 43 98 111 85 55 57 71 151 82 127 41 83 68 99 107 97 166 123 56 0.934 31.52 -0.3 91 96 92 96 166 28.9 3.725 -0.007 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1194 ?? Hydrocarbon 31.6min RI1648 31.6227 1647.2 7.7 scans 51% 71 m/z (125) 1.7% 0.0203% 4698 1.4 127 38121 2416596 2290047 1-1 19: 71 57 85 43 99 127 69 169 113 55 84 41 70 83 401 73 56 112 155 0.836 31.63 -0.5 61 82 73 82 429 7.9 0.000 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9137 1659.5 8.2 scans 54% 71 m/z (135) 2.1% 0.0245% 4748 0.6 130 32254 2911031 2722511 2-1 20: 71 57 85 43 55 82 69 70 41 99 56 141 113 84 97 112 127 111 155 126 0.901 31.92 -0.2 75 83 86 91 219 5.0 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1200 Contamination 32.08min 32.0749 1666.3 6.9 scans 37% 221 m/z 1.7% 0.00925% 4775 0.9 97 39767 1097239 1026940 3-1 19: 221 73 147 295 207 222 355 325 281 224 267 356 223 341 74 268 148 75 297 0.873 32.08 -0.1 97 98 84 97 355 18.5 3.653 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1204 Hydrocarbon 32.4min RI1681 32.4297 1681.2 11.2 scans 46% 57 m/z (69) 1.6% 0.0229% 4835 1.1 121 41187 2725167 2521141 0-2 19: 57 85 71 197 56 43 196 41 55 99 97 113 83 58 165 86 177 84 127 0.889 32.44 -0.5 80 86 87 85 226 4.5 0.139 -0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1206 Spathulenol 32.6694 1691.2 8.5 scans 68% TIC 1.2% 0.0469% 4876 1.1 216 54997 5563125 5354361 1-1 0.880 32.67 -0.3 87 91 82 90 220 9.3 0.000 -0.006 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1208 ?? Hydrocarbon 32.9min RI1700 32.8618 1699.3 8.0 scans 13% 70 m/z (149) 2.3% 0.00729% 4908 1.3 71 29662 865347 776140 8-2 4: 70 201 195 224 0.504 32.87 -0.2 62 80 42 78 186 4.1 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9285 1702.1 7.9 scans 44% 71 m/z 0.32% 0.0270% 4920 0.9 155 208182 3203707 2886182 7-2 12: 71 43 159 243 111 173 72 155 143 89 215 138 0.820 32.93 -0.2 93 96 89 97 243 24.7 2.525 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1212 Hexadecene 33.0796 1708.5 7.8 scans 43% 83 m/z (123) 4.7% 0.0127% 4945 1.1 106 14497 1514448 1491549 1-1 20: 83 57 97 55 69 70 111 41 43 56 84 85 71 151 82 42 68 98 110 54 0.877 33.09 -0.2 82 85 92 97 224 4.9 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1012 Hexadecane 33.3063 1718.0 7.5 scans 66% 57 m/z (137) 0.60% 0.0420% 4983 0.9 187 113455 4980915 4424741 5-8 17: 57 71 85 43 41 55 99 56 70 113 72 84 42 112 98 58 67 0.973 33.37 -2.8 95 98 98 99 226 21.5 1.322 -0.067 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8872 1728.2 7.6 scans 39% 71 m/z 1.9% 0.00976% 5082 1.1 108 35805 1157652 1157652 0-0 16: 71 57 43 85 197 99 84 55 70 113 56 127 141 225 168 58 0.849 33.90 -0.1 91 94 85 92 197 21.8 4.093 -0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1216 Hydrocarbon 34.3min RI1734 34.2573 1733.4 >8 scans 38% TIC 2.2% 0.00664% 5145 1.7 102 30881 788079 754744 0-1 0.824 34.27 -0.2 83 87 84 92 211 15.8 2.377 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1024 Contamination 34.39min 34.4315 1735.9 12.0 scans 97% 73 m/z 0.015% 2.75% 5174 0.6 1284 4346595 326507876 313159723 2-2 20: 73 221 147 282 222 415 327 207 74 148 385 416 341 339 75 328 191 133 399 131 0.998 34.39 452.9 81 100 99 100 415 159.7 1.549 0.042 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1026 UNK Plastic 34.79min 34.8128 1741.4 14.3 scans 91% 91 m/z 0.044% 0.670% 5239 0.3 579 1528991 79478365 76954086 1-1 20: 91 155 199 90 65 184 92 89 120 44 137 63 106 77 39 156 51 64 134 109 0.992 34.79 452.4 80 100 98 99 199 165.3 8.162 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1218 Cyclopentane, undecyl- 34.8979 1742.6 8.2 scans 29% 68 m/z (71) 2.2% 0.0185% 5253 1.3 117 30012 2199326 1924625 3-5 2: 68 224 0.818 34.90 -0.1 90 94 92 99 224 14.9 1.618 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1042 ? Phytol 35.3483 1749.1 8.0 scans 73% 57 m/z 0.27% 0.154% 5329 0.9 365 246005 18300869 16243091 7-1 20: 57 71 43 69 55 85 41 81 95 56 70 126 111 83 82 67 96 97 137 84 0.891 35.35 451.7 77 98 91 98 196 33.5 0.840 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6169 1752.9 8.9 scans 46% TIC 0.99% 0.0223% 5375 1.5 183 68717 0.0336% 2647894 2642092 3983326 2-0 0.863 35.70 450.2 62 83 73 82 224 3.9 0.000 -0.081 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1040 ?? 3-Hydroxy-5,6-epoxy-?-ionone 35.6871 1753.9 >12 scans 37% TIC 1.4% 0.0205% 5387 1.6 146 47071 0.0442% 2431522 2314468 5239970 0-1 0.709 35.70 451.2 62 87 51 86 224 27.0 3.430 -0.010 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1038 ?? UNK 35.93min 35.9315 1757.4 9.7 scans 42% 91 m/z (186) 0.45% 0.0795% 5428 1.3 228 149084 9432268 8760874 2-3 17: 91 97 155 110 184 65 83 111 92 199 148 44 77 121 219 39 53 0.749 35.94 451.0 60 90 69 90 238 5.4 0.000 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5573 1766.3 6.6 scans 30% 221 m/z 0.86% 0.0212% 5534 1.0 147 79507 2513801 2344839 3-2 19: 221 73 147 295 207 281 222 369 223 148 341 296 208 297 355 327 371 282 370 0.811 36.58 449.8 76 98 77 97 369 25.9 3.099 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.1972 1775.5 8.1 scans 29% 209 m/z 0.79% 0.0174% 5643 1.0 125 86621 2073615 2005324 2-1 19: 209 224 181 167 165 210 179 178 166 152 105 103 225 194 77 193 115 89 192 0.790 37.20 449.2 75 97 74 97 224 44.7 12.708 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1016 ? Octadecane 37.3028 1777.0 7.9 scans 37% TIC 1.2% 0.00890% 5661 1.0 138 55392 1055641 964115 1-0 0.865 38.91 -23.0 78 80 80 78 254 0.0 0.000 -1.607 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3914 1778.3 9.0 scans 64% TIC 0.93% 0.0585% 5676 1.2 236 73299 6941836 6275289 1-2 0.878 34.14 499.1 66 87 75 86 220 45.5 3.719 3.255 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0567 1787.8 8.5 scans 51% 57 m/z (191) 0.83% 0.0355% 5789 1.1 166 82526 4209335 4016581 2-1 20: 57 71 85 43 56 41 99 55 224 70 113 127 72 69 141 183 98 155 169 84 0.944 38.06 448.1 74 98 97 98 225 31.3 3.560 -0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1028 Contamination 38.59min 38.6217 1795.9 8.4 scans 91% 73 m/z 0.036% 0.828% 5884 0.8 822 1877899 98194339 92309611 2-3 20: 73 147 221 355 281 341 207 356 222 357 74 148 295 223 282 325 432 343 459 327 0.971 38.59 447.8 80 99 98 100 429 242.5 8.715 0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1018 Neophytadiene 40.0479 1941.1 >20 scans 94% TIC 0.016% 8.23% 6126 0.1 1748 4075942 976406704 907055940 1-2 0.999 39.94 572.0 80 100 100 100 278 119.0 0.463 0.112 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1034 ?? Phthalic acid, diisobutyl ester 40.3832 1982.6 7.7 scans 22% 149 m/z 0.30% 0.0199% 6182 0.9 133 226473 2361082 2217078 7-2 7: 149 150 223 104 76 205 50 0.828 40.31 607.7 68 93 72 93 223 31.6 5.613 0.078 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N406_R~1-N1110 Phytol 40.4304 1988.5 15.4 scans 50% TIC 0.94% 0.0254% 6190 1.1 219 72253 0.0412% 3018081 2893696 4884316 0-1 0.940 40.66 -28.7 88 91 89 92 278 23.0 1.098 -0.232 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.6122 2011.0 7.3 scans 10% 221 m/z (134) 0.99% 0.0228% 6221 1.0 144 69051 2706125 2551395 1-4 17: 221 73 295 281 207 222 369 355 296 223 282 297 341 283 371 208 370 0.901 40.63 630.9 72 97 92 97 369 25.7 3.205 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1254 Phytol 40.8991 2046.6 8.3 scans 50% 82 m/z (190) 0.79% 0.0771% 6270 0.8 237 85706 9148656 8116642 4-2 9: 82 81 95 68 123 96 124 278 109 0.971 40.87 3.9 94 97 95 97 278 33.3 1.973 0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1144 ? Sclareoloxide 41.1311 2075.4 9.4 scans 49% 109 m/z 0.84% 0.0717% 6309 1.2 251 81323 8508608 7771084 1-2 20: 109 191 262 81 95 123 43 177 121 107 135 122 137 93 136 79 91 67 201 41 0.855 41.13 687.6 76 97 80 96 262 54.3 4.661 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1256 ? 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- 41.2776 2093.5 14.6 scans 19% 79 m/z (155) 3.5% 0.0383% 6334 1.0 136 19450 4543472 4241979 1-1 19: 79 41 111 95 55 70 83 43 67 69 97 71 82 91 125 108 59 54 264 0.795 41.26 2.5 70 82 65 80 264 6.2 0.000 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1146 ?? Methyl-b-ionone 41.3023 2096.6 15.8 scans 19% 149 m/z (79) 1.6% 0.0280% 6338 0.7 111 41653 3329930 3129296 0-3 20: 149 80 43 121 188 57 189 120 93 85 71 266 95 70 108 107 84 136 109 229 0.868 41.29 706.2 63 87 63 88 229 9.2 0.684 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLANKB1-N1012 Contamination 41.49min 41.4670 2117.0 8.1 scans 55% 205 m/z 0.63% 0.0831% 6366 0.8 266 108419 9861231 9190972 2-2 15: 205 217 175 189 220 177 232 191 203 192 161 233 109 219 135 0.822 41.49 -79.6 84 99 83 98 276 18.8 0.500 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N479_R~1-N1174 ? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6996 2131.2 9.4 scans 58% 69 m/z (43) 0.23% 0.141% 6405 0.6 298 287695 16800678 15507881 3-2 14: 69 93 81 133 67 120 79 68 161 53 134 147 94 65 0.969 41.75 733.7 76 99 96 98 272 13.1 0.000 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1028 ? Diterpene 42.0min 42.0426 2150.4 7.9 scans 7.3% 74 m/z (166) 0.30% 0.0770% 6463 1.0 251 227302 0.0790% 9133956 8446774 9365557 2-0 9: 74 87 75 239 59 88 101 241 271 0.886 42.01 748.4 70 96 89 95 272 9.8 0.000 0.032 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1258 Diterpene 42.0min 42.1058 2154.0 13.6 scans 88% 107 m/z (43) 0.043% 3.20% 6474 0.3 1272 1571571 380082642 356908000 2-3 20: 107 119 81 79 229 77 41 95 67 55 272 134 120 148 187 106 123 92 80 94 0.994 42.05 3.4 98 99 98 99 272 159.6 1.574 0.061 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1012 ?? Contamination 42.37min 42.3531 2167.8 7.7 scans 31% 73 m/z (156) 0.36% 0.0623% 6516 1.1 228 189560 7390358 6751600 2-6 20: 73 281 221 355 503 341 207 282 356 429 430 283 504 74 415 505 357 431 461 342 0.903 42.37 758.8 69 91 77 96 503 40.9 3.214 -0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4387 2172.7 10.3 scans 90% 161 m/z (271) 0.050% 1.69% 6531 0.4 1028 1352488 200830746 186330459 3-10 20: 161 91 93 79 105 81 119 107 133 67 41 55 69 135 147 159 92 117 173 120 0.988 42.40 2.3 99 100 98 100 272 79.4 0.596 0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9334 2200.4 11.0 scans 43% 148 m/z (204) 0.074% 0.481% 6615 0.9 529 918403 0.543% 57097742 53130600 64373386 2-0 6: 148 133 190 106 92 66 0.801 42.90 1.7 95 98 78 97 272 53.4 1.018 0.030 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1246 Thunbergen/Cembrene 43.0161 2205.1 >9 scans 78% 134 m/z (157) 0.10% 0.642% 6628 1.1 688 637911 1.45% 76218028 72516594 171899466 0-4 20: 134 135 119 272 133 121 136 159 91 105 147 69 41 93 175 107 55 161 145 120 0.973 42.99 1.5 97 99 97 99 272 124.3 3.260 0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1796 2214.2 9.3 scans 62% 135 m/z 0.26% 0.272% 6656 1.1 466 258285 32294564 29041055 2-2 20: 135 272 94 107 95 91 134 119 105 121 81 93 79 55 41 137 133 69 67 77 0.888 43.15 1.4 98 98 88 97 272 96.8 4.326 0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4765 2230.9 >9 scans 25% 257 m/z 1.0% 0.0335% 6706 0.7 233 66470 3983048 3725647 1-0 20: 257 121 119 133 95 189 134 59 159 107 148 55 69 81 242 93 94 258 109 122 0.800 43.44 2.2 81 82 70 91 272 28.4 1.485 0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5922 2237.4 9.5 scans 77% 81 m/z (270) 0.11% 1.04% 6726 0.5 834 597546 123664456 115766654 2-1 20: 81 79 95 93 257 91 135 69 109 107 121 216 55 41 134 137 77 201 272 147 0.986 43.55 2.2 97 98 96 98 272 101.9 1.496 0.040 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1242 Kaur-15-ene, (5?,9?,10?)- 43.6885 2242.8 9.7 scans 18% 148 m/z (184) 0.89% 0.0361% 6742 1.4 159 76781 4284554 4190641 1-0 19: 148 133 119 84 190 41 149 147 97 125 42 175 111 39 189 273 242 43 215 0.767 43.66 1.6 88 94 75 93 272 22.2 1.946 0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0869 2265.4 9.0 scans 79% 191 m/z (429) 0.072% 0.602% 6810 0.8 654 945196 0.646% 71382357 66235260 76584176 2-4 20: 191 109 95 121 107 135 93 91 81 79 69 105 192 55 41 77 97 119 67 80 0.994 44.05 1.9 97 99 99 99 272 63.8 0.951 0.034 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1238 Trachylobane 44.1802 2270.8 8.9 scans 54% 79 m/z (235) 0.84% 0.118% 6825 1.2 294 81036 13995968 12910730 0-2 20: 79 257 81 95 135 216 93 272 91 134 201 109 69 55 148 41 107 67 105 119 0.978 44.15 1.5 93 95 94 97 272 40.1 1.858 0.026 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1020 ?? Contamination 44.32min 44.2971 2277.5 6.9 scans 9.7% 221 m/z 2.2% 0.00865% 6845 1.0 92 30761 1026155 957653 2-2 13: 221 73 295 207 369 281 222 296 355 357 297 223 248 0.525 44.32 830.2 68 95 80 96 369 19.2 4.348 -0.023 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5739 2293.4 8.4 scans 59% 191 m/z (266) 0.32% 0.106% 6892 0.9 289 208968 12631303 11688922 2-1 15: 191 109 95 121 135 107 79 81 93 192 69 272 97 80 110 0.970 44.55 1.2 96 98 97 99 272 29.5 1.045 0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1234 Thunbergol 44.9282 2313.8 >11 scans 67% 43 m/z (286) 0.35% 0.319% 6952 0.9 459 191948 37862890 36558834 1-0 20: 43 81 109 67 107 121 95 97 69 93 71 123 55 149 135 41 79 68 161 147 0.996 44.90 1.6 94 96 96 96 272 32.0 0.485 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N6_REP1-N1180 ? UNK Alkene structure 2 45.0450 2320.5 11.5 scans 79% 105 m/z 0.087% 1.41% 6972 0.5 983 780033 1.66% 167333849 165503273 196795251 2-0 20: 105 131 145 91 119 133 157 159 134 171 270 143 77 93 79 117 147 81 128 132 0.945 44.99 860.1 78 97 95 100 270 150.6 2.345 0.056 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5421 2349.1 9.9 scans 76% 81 m/z (168) 0.054% 1.20% 7056 0.6 888 1261574 1.68% 142928653 133296832 199166278 2-0 20: 81 43 71 79 107 93 95 53 41 135 67 149 94 133 109 69 108 121 68 137 0.970 45.47 879.2 74 97 97 96 288 39.5 0.198 0.068 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.6100 2353.0 >9 scans 75% 191 m/z 0.13% 0.595% 7068 0.9 742 493227 1.62% 70638391 64984571 192053197 0-2 20: 191 107 43 81 95 109 79 69 125 82 71 137 41 67 55 93 135 97 121 77 0.982 45.56 2.6 91 90 92 92 290 58.1 0.613 0.047 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7959 2363.7 7.7 scans 1.6% 73 m/z 2.2% 0.00821% 7099 1.2 84 30532 973993 899651 8-4 17: 73 355 221 281 356 429 357 503 415 401 342 222 431 358 283 430 341 0.792 45.78 1.1 85 88 58 87 503 10.9 1.693 0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1264 Sclareol 46.5min 46.5397 2406.5 13.1 scans 83% 177 m/z (270) 0.020% 2.64% 7225 0.3 1178 3293438 313442169 293034594 1-1 19: 177 195 95 69 121 107 71 43 81 109 290 91 55 133 93 105 79 125 135 0.960 46.49 2.5 98 100 95 99 290 179.0 2.310 0.045 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.9005 2427.3 8.7 scans 29% 191 m/z (177) 0.12% 0.227% 7286 0.9 413 545890 26995392 24804841 3-2 5: 191 192 190 68 275 0.959 46.86 2.4 95 97 93 98 290 49.5 1.436 0.041 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1226 ? Sclareol 47.42min 47.0398 2435.3 >4 scans 3.0% 195 m/z (257) 1.7% 0.00666% 7310 1.7 115 38899 0.0171% 789674 789674 2027228 0-0 16: 195 121 261 100 229 177 135 41 290 258 91 178 82 148 275 76 0.749 47.42 -21.8 74 82 54 81 290 22.4 3.793 -0.378 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1224 Sclareol 47.35min 47.4040 2456.3 >23 scans 87% TIC 0.045% 2.51% 7372 0.5 947 1505057 297735266 279506062 1-2 0.983 47.36 2.8 100 100 99 99 272 94.0 0.984 0.048 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9695 2488.8 9.0 scans 84% 134 m/z (253) 0.086% 0.556% 7467 0.9 628 793254 0.624% 65971993 59661916 73976046 7-0 20: 134 119 81 84 95 69 79 135 43 55 191 178 109 41 107 121 123 91 105 148 0.961 47.95 1.2 97 99 96 99 272 67.3 1.150 0.023 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1150 ?? UNK 46.46min 48.0433 2493.1 >8 scans 65% TIC 0.24% 0.0608% 7480 1.5 275 279435 0.0691% 7208471 7096403 8191899 0-4 0.936 46.47 1003.8 69 86 84 97 235 43.3 2.471 1.578 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN N407_R~1-N1154 ? UNK 48.48min 48.4689 2517.6 8.5 scans 72% 148 m/z 0.16% 0.102% 7552 0.9 298 407910 12209977 11518855 2-1 20: 148 95 149 133 147 69 161 109 108 43 286 41 162 135 96 55 81 178 67 71 0.912 48.48 979.4 78 98 90 97 286 39.2 1.728 -0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9282 2544.0 7.9 scans 29% 73 m/z (115) 2.8% 0.00891% 7630 1.1 85 23643 1057048 971791 2-4 16: 73 221 429 281 356 357 355 430 223 74 295 431 341 222 283 327 0.804 48.95 993.6 71 96 89 98 429 23.5 7.727 -0.021 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8445 2711.8 8.3 scans 34% 73 m/z 3.2% 0.00629% 8123 1.2 72 21421 746604 717032 1-5 18: 73 147 221 355 429 281 430 207 357 431 222 327 223 283 149 325 295 342 0.700 51.86 1080.9 74 97 68 94 503 12.4 2.983 -0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN BLKEND~1-N1014 ?? Contamination 45.81min 57.8782 3059.0 >8 scans 43% 281 m/z (55) 9.1% 0.00312% 9146 0.0 48 7501 0.00535% 370489 353274 634250 4-0 9: 281 429 356 430 73 222 295 357 148 0.674 45.81 1582.5 62 91 72 90 503 5.1 1.122 12.066 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP5.FIN HCMIX_~1-N1034 ?? Heptacosane 59.7850 3168.6 12.9 scans 29% TIC 9.5% 0.00174% 9469 1.2 36 7193 207386 202655 0-3 0.522 59.97 -10.5 62 70 44 65 380 0.0 0.000 -0.182 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1002 Contamination 4.37min 4.0914 770.8 5.8 scans 72% 77 m/z 0.10% 0.0782% 35 3.3 235 560888 0.0866% 5564236 5042000 6159137 0-6 12: 77 45 78 79 62 76 59 75 63 47 92 46 0.979 4.37 16.8 100 100 97 100 77 202.9 74.590 -0.280 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1016 ? Pivalic acid 6.2142 826.0 10.4 scans 51% 57 m/z (44) 1.4% 0.0162% 394 0.6 81 39543 1153556 1011871 1-4 13: 57 41 59 39 45 87 55 58 85 38 53 102 50 0.845 6.03 -135.6 72 98 90 97 102 8.7 1.161 0.181 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1014 ? Contamination 6.52min 6.5855 835.7 20.6 scans 68% 209 m/z 0.71% 0.0306% 457 3.3 99 81272 2176801 1940321 2-2 16: 209 191 133 81 193 192 119 103 147 178 89 115 165 117 176 75 0.753 6.53 -141.1 79 100 81 99 207 77.2 61.272 0.058 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N506_R~1-N1176 2-Hexenal 7.6847 864.3 8.4 scans 90% 41 m/z 0.76% 0.0913% 643 2.0 215 75756 6500015 5754260 1-5 20: 41 55 69 83 39 42 57 98 70 97 56 80 43 53 54 40 68 79 51 50 0.981 7.71 9.0 100 100 98 99 98 44.2 4.226 -0.020 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1018 ? Contamination 12.25min 13.0662 1004.6 9.5 scans 16% 43 m/z 0.87% 0.0181% 1555 2.2 90 66391 1290194 1136163 3-2 17: 43 281 108 71 282 99 69 283 55 111 58 93 191 67 207 265 134 0.254 12.25 -148.5 70 97 4 91 281 73.0 0.000 0.815 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKSTART-N1002 ? Contamination 12.22min 13.0662 1004.6 9.5 scans 44% 43 m/z (142) 0.78% 0.0565% 1555 2.2 150 73810 4019576 3539694 3-2 17: 43 281 108 71 282 99 69 283 55 111 58 93 191 67 207 265 134 0.669 12.22 58.3 79 92 25 98 281 61.7 16.855 0.846 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1014 2,4-Heptadien-1-al 13.4658 1015.4 9.2 scans 89% 81 m/z 0.12% 0.218% 1623 1.8 319 479809 15519614 13582994 2-4 19: 81 110 53 39 79 67 41 68 77 65 82 51 95 66 50 40 54 109 52 0.984 13.22 51.8 90 96 96 99 110 93.0 8.503 0.244 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1022 ?? Octanal 13.6854 1021.4 7.6 scans 47% 56 m/z (109) 4.2% 0.0147% 1660 1.4 92 13798 1050317 928746 1-4 13: 56 43 57 84 41 44 55 69 42 82 85 71 100 0.941 12.96 -153.4 63 88 84 88 110 4.3 0.000 0.730 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1024 ? p-Cymene 14.3909 1040.5 11.1 scans 26% 119 m/z (95) 4.3% 0.00389% 1780 2.5 42 13515 276748 276748 0-0 6: 119 134 117 115 105 93 0.767 13.76 -159.0 71 98 75 96 134 16.3 15.085 0.634 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1016 ? Limonene 14.5520 1044.9 8.2 scans 52% 68 m/z 0.76% 0.0575% 1807 1.1 191 75695 4094173 3749042 2-1 20: 68 93 67 53 94 121 136 79 92 124 107 51 91 123 77 41 81 95 80 43 0.611 13.89 69.6 77 86 80 98 136 38.2 4.012 0.660 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1068 a-Toluenol 14.7138 1049.2 11.3 scans 78% TIC 0.52% 0.0685% 1834 1.6 186 109831 0.0936% 4876710 4580255 6656988 0-2 0.969 14.11 70.2 85 97 93 97 108 84.9 20.786 0.605 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1012 Benzeneacetaldehyde 15.0402 1058.1 9.1 scans 91% TIC 0.071% 0.246% 1889 1.3 354 813981 17517481 15926493 3-5 0.988 14.44 73.3 87 100 99 100 120 114.2 10.429 0.598 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1078 ? 2-Nonenal 15.5444 1071.8 9.4 scans 49% 83 m/z (82) 3.4% 0.0181% 1975 1.1 96 16917 1293100 1186318 1-1 13: 83 55 41 69 57 39 68 42 84 67 53 79 50 0.900 18.83 19.1 75 80 76 83 122 1.9 0.000 -3.286 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1002 IS d3-Acetophenone 15.6973 1075.9 10.6 scans 86% 105 m/z 0.14% 0.185% 2001 1.3 291 411063 0.233% 13186004 12655687 16571349 2-0 19: 105 77 123 51 46 106 50 78 74 124 76 75 52 79 64 73 53 40 63 0.972 15.17 78.5 85 99 98 99 123 104.4 12.869 0.527 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN 98-86-2 ? Acetophenone 15.7728 1077.9 >10 scans 67% 105 m/z 0.37% 0.0544% 2013 2.0 175 156974 0.173% 3872631 3681937 12304049 0-2 18: 105 77 51 106 121 107 50 74 78 76 62 63 89 65 64 75 52 39 0.970 15.29 -167.8 79 99 96 99 120 53.7 9.419 0.480 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1070 ? 3,5-Octadien-2-one 15.9133 1081.7 8.7 scans 58% 95 m/z 0.29% 0.0814% 2037 1.4 219 194175 5795943 5431989 1-4 18: 95 81 124 79 91 119 53 109 120 39 65 82 96 66 51 77 63 125 0.765 15.43 80.0 79 98 84 97 124 68.0 9.621 0.480 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1028 ?? p-Cymenene 16.6335 1102.0 8.4 scans 23% 91 m/z 5.8% 0.00221% 2159 1.7 45 9921 157233 145956 1-1 13: 91 116 131 115 118 64 67 83 99 81 89 76 39 0.638 16.25 -172.6 68 94 59 92 132 26.9 35.339 0.380 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1002 Undecane 16.9859 1116.9 8.6 scans 49% 57 m/z (59) 5.2% 0.00785% 2219 1.5 66 11173 558774 519399 1-0 11: 57 43 85 41 98 56 95 93 113 112 156 0.881 16.59 16.9 81 87 83 92 156 8.2 0.000 0.399 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1004 ? Blank_Nonanal 17.1507 1123.8 8.1 scans 85% 57 m/z 0.36% 0.159% 2247 1.2 304 157589 11341766 10062328 5-6 20: 57 41 56 55 43 98 44 70 69 82 68 95 81 96 67 39 42 71 54 83 0.975 16.82 -167.6 77 97 96 97 124 19.2 0.397 0.336 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1072 ? Cyclohexanol, 1,3-dimethyl- 17.3401 1131.8 8.6 scans 43% 71 m/z 0.88% 0.0313% 2279 1.4 135 65893 2230223 2108992 1-4 14: 71 95 110 58 128 57 85 84 68 72 70 113 56 96 0.724 16.97 107.1 77 98 79 97 128 36.8 7.406 0.372 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1074 ? Benzeneethanol 17.4169 1135.1 >12 scans 63% TIC 0.57% 0.0388% 2292 1.6 141 101684 0.0806% 2759609 2517749 5732407 0-3 0.916 17.05 109.1 79 99 95 99 122 46.9 11.089 0.365 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1006 ? Contamination 18.13min 18.3313 1173.7 11.4 scans 64% 73 m/z 1.1% 0.0277% 2447 1.7 113 50611 1974064 1843772 2-1 20: 73 267 355 356 268 74 193 163 237 269 205 191 339 323 270 358 207 162 340 223 0.871 18.13 -158.0 78 99 84 98 355 48.0 17.983 0.200 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN M4942-N1002 ?? Pyranone 18.4535 1178.9 10.0 scans 33% 144 m/z (97) 5.6% 0.00885% 2467 1.7 61 10304 629699 542003 3-4 4: 144 101 44 115 0.805 20.04 -211.6 63 90 75 90 144 27.0 19.526 -1.588 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1076 ? 10-Methylundec-3-en-4-olide 18.9795 1201.1 8.5 scans 58% 98 m/z (101) 4.7% 0.0150% 2557 1.1 93 12366 1071497 998693 1-1 18: 98 111 55 69 82 43 41 67 125 70 110 71 97 107 39 100 53 95 0.928 18.71 150.3 72 96 92 98 153 3.8 0.000 0.273 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BWA_RE~1-N1004 ?? 1H-Pyrazole, 3-methyl- like compound 19.3567 1217.0 8.8 scans 31% 82 m/z (73) 3.0% 0.00673% 2621 1.2 58 19089 0.00734% 478726 421314 522033 0-6 3: 82 54 97 0.871 19.12 159.9 64 88 78 90 97 10.1 3.029 0.236 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1064 ? Benzoic acid 19.8065 1236.0 15.6 scans 48% 105 m/z 0.44% 0.0861% 2697 0.2 180 130393 6129254 5464539 1-4 20: 105 122 77 51 58 50 106 123 76 133 134 74 78 75 113 52 65 49 99 95 0.962 20.03 165.3 76 96 93 96 122 90.2 25.119 -0.222 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1266 ?? Octanoic acid 19.9063 1240.2 >8 scans 63% TIC 0.79% 0.0251% 2714 0.4 163 72719 0.0440% 1787930 1615080 3129353 1-1 0.952 22.03 -68.9 63 74 77 82 175 0.0 0.000 -2.128 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1062 ?? Ethanol, 1-(2-butoxyethoxy)- 20.0025 1244.3 8.2 scans 37% 57 m/z (119) 1.9% 0.0182% 2730 1.1 101 30041 1297321 1185857 1-4 12: 57 45 75 71 58 56 87 72 100 59 46 101 0.951 19.81 176.8 62 85 82 96 144 1.9 0.000 0.189 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1004 ? Dodecane 20.4990 1263.1 10.8 scans 19% 57 m/z (107) 9.8% 0.00381% 2814 1.4 40 5873 271101 230062 5-1 4: 57 71 73 98 0.803 20.32 5.4 77 91 76 88 170 4.7 0.000 0.179 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1034 ? Decanal 20.6991 1269.1 7.9 scans 85% 57 m/z (110) 0.58% 0.128% 2848 0.9 275 100203 9127451 8428249 4-2 20: 57 41 43 55 70 82 71 68 56 83 44 112 67 81 69 96 42 84 95 39 0.974 20.57 -137.9 75 97 97 99 138 15.4 0.313 0.130 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1006 ? Arosol 21.1106 1281.4 >11 scans 58% 94 m/z (111) 0.44% 0.0429% 2918 1.1 149 131259 3056901 2785257 1-1 19: 94 138 77 66 51 95 45 65 50 139 107 76 78 74 64 87 99 73 62 0.968 20.98 196.4 75 96 92 98 152 5.7 0.000 0.128 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1066 ?? b-Cyclocitral 21.1620 1283.0 9.5 scans 67% 109 m/z (94) 0.78% 0.0904% 2927 0.9 212 74130 6432254 5992346 1-2 15: 109 123 67 81 91 41 79 93 53 153 110 52 69 80 121 0.991 21.00 197.7 65 86 82 86 155 0.0 0.000 0.161 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1010 ? UNK 22.91min 23.0038 1338.2 8.6 scans 61% 69 m/z (85) 0.52% 0.0689% 3238 1.1 188 110730 4902355 4382779 4-2 8: 69 43 109 86 110 128 127 170 0.933 22.91 224.6 74 98 92 97 127 26.6 2.003 0.091 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1040 ? Nonanoic acid 23.5717 1355.3 >21 scans 85% 60 m/z (116) 0.14% 0.619% 3335 0.1 428 407212 0.659% 44063943 44023346 46869181 0-1 20: 60 73 57 115 41 55 129 43 98 69 45 56 61 87 42 39 83 84 70 74 0.989 22.70 -120.0 73 93 93 97 158 25.6 0.356 0.876 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1016 ? Nicotine 23.5717 1355.3 >21 scans 88% 60 m/z 0.14% 0.597% 3335 0.1 437 387784 0.636% 42529072 42489889 45233382 0-1 20: 60 73 57 115 41 55 129 43 98 69 45 56 61 87 42 39 83 84 70 74 0.976 25.35 206.1 77 95 94 100 162 0.0 0.000 -1.782 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1002 ? Contamination 24.17min 24.1537 1373.7 7.0 scans 53% 73 m/z 0.42% 0.0514% 3433 1.0 193 136202 3660383 3545897 1-3 16: 73 341 429 342 147 325 343 430 431 74 326 207 327 209 251 311 0.863 24.17 -150.1 79 99 90 99 429 53.6 7.702 -0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1084 ? Pentadecane 24.6136 1389.1 9.3 scans 40% TIC 1.4% 0.0135% 3511 1.5 102 41380 0.0198% 962825 962825 1408209 0-0 0.618 24.54 251.8 74 97 60 94 169 13.6 1.798 0.072 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1006 ? Tridecane 24.6154 1389.2 8.2 scans 53% 71 m/z (87) 1.5% 0.0262% 3511 1.5 117 37163 1866529 1630192 9-2 17: 71 57 85 43 84 113 41 70 127 99 169 56 112 100 139 42 72 0.946 23.86 25.2 74 78 87 83 184 0.0 0.000 0.753 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1050 ? UNK 24.70min 24.7630 1394.1 8.8 scans 53% 43 m/z (147) 1.8% 0.0245% 3537 1.0 112 31545 1746355 1536043 1-4 19: 43 83 41 55 142 85 82 58 56 68 39 113 111 70 108 71 93 127 81 0.818 24.70 254.5 70 92 92 97 170 3.7 0.000 0.067 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1032 ?? Dodecane 24.9359 1399.9 12.7 scans 34% 71 m/z (97) 4.8% 0.00983% 3566 1.8 65 12092 699366 672807 1-0 11: 71 57 85 127 113 84 70 72 99 56 41 0.860 20.36 -0.3 62 70 79 74 170 1.9 0.000 4.578 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1048 ? Glycerol 1,2-diacetate 25.2588 1410.7 7.4 scans 43% 43 m/z (71) 0.86% 0.0160% 3620 0.8 98 67481 1142790 1012929 3-9 11: 43 103 145 116 115 74 61 104 155 143 117 0.944 25.24 -149.2 78 99 98 100 145 35.4 12.917 0.017 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1004 ? Nicotine 25.5440 1420.2 22.9 scans 89% 133 m/z 0.014% 3.71% 3668 0.7 963 3899268 264353966 249564027 0-3 20: 133 162 161 42 92 65 134 51 119 39 120 55 163 105 104 159 52 78 132 50 0.994 25.89 263.2 78 97 95 97 162 251.9 6.841 -0.348 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN GLAU_R~1-N1080 ? Solanone 25.8604 1430.8 8.3 scans 91% TIC 0.032% 0.992% 3722 0.8 773 1787392 1.05% 70605881 66402514 74677754 2-0 0.980 25.78 275.5 75 94 92 95 194 119.2 2.377 0.083 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1002 ?? Contamination 27.11min 27.1143 1472.6 7.0 scans 13% 221 m/z (98) 8.1% 0.00264% 3934 1.0 44 7091 188215 188215 0-0 7: 221 73 147 222 168 355 223 0.636 27.12 297.7 64 93 69 90 355 9.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1008 Tetradecane 27.2046 1475.7 >8 scans 69% TIC 1.2% 0.0183% 3950 0.9 129 46472 0.0792% 1304836 1265233 5632836 1-0 0.975 27.21 -0.1 94 95 94 94 198 15.4 1.410 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1032 ? Myosmine 28.0535 1507.5 10.6 scans 49% 118 m/z (83) 0.80% 0.0473% 4094 1.2 147 72044 3366242 3224329 1-4 15: 118 146 145 78 117 119 51 65 63 42 52 40 89 50 38 0.719 27.93 320.8 73 98 85 98 146 63.2 18.426 0.122 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1046 ? UNK Pyridoindol 28.4159 1521.2 8.9 scans 30% 80 m/z 0.93% 0.0174% 4155 1.1 100 62156 1239128 1115288 3-2 12: 80 171 123 104 53 147 172 170 78 103 65 168 0.639 28.39 327.8 72 94 74 93 171 49.6 24.436 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1034 ? Dihydropseudoionone 28.6857 1531.3 7.9 scans 79% 43 m/z 0.12% 0.247% 4201 0.9 399 481070 17584313 15868060 3-11 20: 43 69 41 151 107 136 67 125 93 53 83 109 121 39 81 68 108 79 55 91 0.951 28.67 333.9 79 99 94 98 194 25.6 0.412 0.019 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1036 ? UNK Hydrocarbon 29.10min 29.1108 1547.3 7.4 scans 73% 71 m/z (134) 0.27% 0.142% 4273 1.1 296 207737 0.194% 10110768 9229049 13797604 2-0 20: 71 57 43 85 41 70 55 141 56 113 99 112 84 183 97 69 42 140 127 155 0.960 29.10 343.4 71 95 94 94 227 6.3 0.000 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1010 Contamination 29.61min 29.5258 1562.9 >10 scans 76% TIC 0.25% 0.132% 4343 1.3 284 224260 0.183% 9440433 9074803 13015266 1-0 0.987 29.61 -150.2 80 99 97 99 503 39.3 1.911 -0.088 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1044 ? b-Ionone 29.6875 1569.0 9.7 scans 56% 177 m/z (43) 0.063% 0.603% 4370 0.7 554 914661 42905816 40496029 3-1 20: 177 158 157 178 130 91 159 117 149 133 116 192 89 131 156 78 51 103 104 162 0.930 29.68 356.5 75 97 85 97 192 57.2 1.066 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1038 ? 5,6-Epoxy-?-ionone 29.7843 1572.6 8.2 scans 62% 123 m/z 0.074% 0.163% 4387 1.0 321 777912 11645510 10516728 1-3 19: 123 43 135 124 107 91 95 79 109 77 39 81 67 53 105 93 97 125 193 0.824 29.77 358.6 78 99 80 98 193 28.5 0.789 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1040 ? UNK Hydrocarbon 29.94min 29.9537 1579.0 8.9 scans 73% 71 m/z 0.25% 0.159% 4416 0.7 299 232188 11360207 10430124 1-3 20: 71 85 57 43 99 113 41 69 55 127 84 155 70 56 83 169 86 112 126 42 0.933 29.94 362.6 76 96 93 97 254 8.3 0.000 0.013 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1010 Pentadecane 30.1781 1587.4 8.0 scans 52% 57 m/z 0.78% 0.0379% 4453 1.2 177 73721 2696650 2595833 1-0 20: 57 85 71 43 99 41 55 58 84 113 127 56 70 98 155 69 183 83 112 126 0.892 30.38 -7.5 80 82 87 83 212 0.0 0.000 -0.199 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1042 ? 2,4-Bis(tert-butyl)phenol 30.5228 1601.0 8.9 scans 70% TIC 0.12% 0.114% 4512 1.6 265 453721 8145665 7927133 0-2 0.926 30.50 376.2 79 99 90 98 206 72.7 7.504 0.025 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N406_R~1-N1098 ?? Olivetol 30.8381 1614.3 8.7 scans 42% 124 m/z (71) 1.3% 0.0240% 4565 1.0 115 41832 1710728 1583290 1-6 5: 124 137 180 138 168 0.966 30.81 384.9 69 91 80 95 180 31.4 7.516 0.031 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1190 Berkheyaradulene 30.9036 1617.0 9.5 scans 50% 162 m/z 0.56% 0.0503% 4576 1.3 167 103583 3583134 3334091 1-2 20: 162 147 161 105 148 91 115 77 51 145 119 133 134 107 65 131 63 79 78 89 0.796 30.88 1.0 88 90 60 88 204 13.2 0.000 0.024 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1188 ?? trans-p-Dimethylaminocinnamonitrile 30.9449 1618.8 8.6 scans 2.8% 171 m/z 11% 0.00119% 4584 1.3 27 4995 0.00146% 84671 84671 103838 0-0 2: 171 172 0.972 30.93 0.8 69 82 67 82 171 19.1 50.150 0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N406_R~1-N1100 ? Dihydroactinidiolide 31.2371 1631.0 11.3 scans 80% TIC 0.11% 0.431% 4633 0.8 441 525860 0.508% 30714196 28029277 36129808 3-0 0.911 31.18 396.0 77 98 94 98 180 96.0 4.741 0.059 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1192 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)- 31.5199 1642.9 9.8 scans 57% 43 m/z (149) 1.0% 0.0409% 4681 1.2 144 54537 2915321 2762843 1-1 20: 43 98 71 85 57 111 166 55 127 83 151 41 82 99 68 84 197 67 39 70 0.924 31.52 0.2 88 93 88 94 166 24.1 2.804 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1198 ? Hydrocarbon 31.9min RI1660 31.9219 1659.8 8.1 scans 35% TIC 1.8% 0.0121% 4749 1.1 109 31332 861532 787846 0-2 0.623 31.92 0.1 73 85 55 83 219 2.1 0.000 0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1200 Contamination 32.08min 32.0807 1666.5 6.9 scans 19% 341 m/z 2.5% 0.00606% 4776 0.8 66 22669 431195 406018 1-2 11: 341 355 207 267 209 343 325 281 296 297 357 0.646 32.08 0.1 92 95 56 93 355 13.6 4.204 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1202 Hydrocarbon 32.3min RI1673 32.2348 1673.0 8.2 scans 47% 57 m/z 0.92% 0.0325% 4802 1.0 159 62864 0.0352% 2316777 2120320 2503483 3-1 20: 57 43 71 85 41 183 99 56 113 55 182 42 70 69 127 83 141 105 149 58 0.845 32.24 -0.1 85 89 82 90 226 7.9 0.000 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1204 ? Hydrocarbon 32.4min RI1681 32.4455 1681.8 >13 scans 41% 85 m/z (69) 1.9% 0.0297% 4837 0.8 112 30245 2117593 2029211 0-1 19: 85 57 56 71 195 141 196 55 108 70 150 128 42 114 58 39 117 100 198 0.875 32.44 0.1 72 81 81 81 226 3.6 0.000 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1206 Spathulenol 32.6834 1691.8 7.9 scans 62% 43 m/z (191) 2.3% 0.0438% 4878 1.0 163 24505 3116029 2836473 1-2 20: 43 95 67 109 93 82 81 107 79 123 135 91 164 69 149 68 105 119 53 159 0.954 32.67 0.3 83 86 86 89 220 6.1 0.140 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1210 Propanoic acid, 2-methyl-, 1-(1,1-dimethylethyl)-2-methyl-1,3-propanediyl ester 32.9331 1702.3 7.9 scans 40% 71 m/z 0.36% 0.0325% 4920 1.0 149 159750 2318313 2162417 6-6 9: 71 43 159 111 155 173 72 143 243 0.823 32.93 0.0 92 95 84 97 243 23.7 2.520 0.000 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1212 Hexadecene 33.0801 1708.5 8.1 scans 13% 97 m/z 8.4% 0.00237% 4945 1.2 53 6856 168857 159838 0-1 19: 97 56 83 55 69 111 70 41 85 67 141 84 43 71 82 99 140 45 123 0.434 33.09 -0.2 83 94 47 88 224 4.1 0.000 -0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1012 Hexadecane 33.3092 1718.1 7.1 scans 66% 57 m/z (119) 0.66% 0.0487% 4984 0.9 182 86785 3467931 3189125 2-1 20: 57 71 85 43 41 55 99 56 70 69 113 226 98 84 83 155 42 112 72 127 0.979 33.37 -2.7 96 98 98 99 226 20.2 1.231 -0.064 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1214 Hexadecane, 4-methyl- 33.8942 1728.3 7.8 scans 33% 71 m/z 1.9% 0.0123% 5083 1.1 101 29731 878975 800940 2-1 18: 71 57 43 85 70 168 127 55 41 113 99 56 196 141 69 197 167 98 0.655 33.90 -0.0 86 95 73 92 197 21.3 4.486 -0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1216 ? Hydrocarbon 34.3min RI1734 34.2708 1733.6 8.4 scans 7.8% 57 m/z (173) 7.4% 0.00289% 5146 1.0 40 7809 205783 190315 0-1 11: 57 71 183 210 155 85 211 98 182 181 113 0.634 34.27 0.0 74 89 52 84 211 10.3 6.497 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1024 Contamination 34.39min 34.3966 1735.4 8.5 scans 95% 73 m/z 0.019% 2.21% 5168 0.6 1150 2920753 157565197 148392611 2-2 20: 73 221 147 281 356 357 282 222 402 415 327 267 207 74 148 283 403 223 385 416 0.997 34.39 452.4 81 100 99 100 415 129.0 1.260 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1026 ? UNK Plastic 34.79min 34.8600 1742.1 17.4 scans 87% 91 m/z 0.039% 1.16% 5247 0.2 620 1473874 83086970 79050995 0-2 20: 91 155 199 90 65 184 44 120 89 92 137 106 63 77 200 39 156 134 51 154 0.980 34.79 453.1 79 98 96 98 199 176.6 8.102 0.074 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1042 ? Phytol 35.3517 1749.1 8.1 scans 79% 57 m/z (169) 0.43% 0.187% 5330 0.8 327 134685 13320267 12053777 3-1 20: 57 71 43 69 55 41 56 81 85 95 126 70 111 83 82 96 67 137 97 84 0.977 35.35 451.7 75 96 97 99 196 30.5 0.869 0.005 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1218 ? Cyclopentane, undecyl- 35.4958 1751.2 9.1 scans 55% 83 m/z (95) 0.96% 0.0954% 5355 1.3 215 59989 6789305 6145382 2-2 17: 83 55 97 70 41 56 68 84 121 98 96 125 42 112 39 168 140 0.841 34.90 8.5 70 72 79 81 224 1.9 0.000 0.595 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N407_R~1-N1138 ?? Nonenylsuccinic anhydride 35.6286 1753.1 9.6 scans 31% 97 m/z (183 99) 2.2% 0.0377% 5377 1.6 125 26371 2684214 2283782 0-2 14: 97 83 71 191 69 137 81 109 67 72 95 136 96 138 0.695 35.70 450.4 60 95 74 92 224 8.7 0.000 -0.069 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1040 ? 3-Hydroxy-5,6-epoxy-?-ionone 35.6929 1754.0 20.8 scans 45% TIC 0.76% 0.0372% 5388 0.9 159 76191 0.0524% 2651088 2549180 3726776 0-1 0.846 35.70 451.3 71 92 75 91 224 19.4 1.478 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1006 ? Contamination 36.58min 36.5082 1765.6 6.9 scans 9.6% 221 m/z 1.0% 0.0242% 5526 1.1 132 57373 1724209 1651929 1-5 20: 221 73 147 295 207 222 281 369 296 223 341 74 325 148 282 327 355 205 267 370 0.696 36.58 449.1 75 99 74 97 369 21.1 2.550 -0.071 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1036 ? 1,5,6,7-Tetramethyl-3-phenylbicyclo[3.2.0]hepta-2,6-diene 37.2036 1775.6 8.4 scans 30% 209 m/z (57) 1.2% 0.0223% 5643 0.9 115 47726 1591795 1525068 2-1 14: 209 224 181 165 178 167 103 105 179 152 77 225 104 184 0.896 37.20 449.3 74 97 87 98 224 36.3 10.017 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN HCMIX_~1-N1016 ? Octadecane 37.2975 1776.9 8.0 scans 50% 71 m/z (129) 1.2% 0.0405% 5660 0.9 153 47294 0.0566% 2883913 2726337 4025487 0-1 19: 71 85 57 43 99 113 69 55 127 41 84 70 126 169 56 155 141 111 83 0.962 38.91 -23.1 78 84 92 83 254 0.0 0.000 -1.613 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N407_R~1-N1132 ?? Longifolenaldehyde 37.3890 1778.2 8.9 scans 50% 191 m/z (71) 2.2% 0.0468% 5676 1.0 156 25338 3334453 2986754 3-5 20: 191 121 95 135 220 109 205 81 91 93 123 107 79 77 105 187 133 149 159 177 0.892 34.14 499.0 63 87 79 86 220 29.8 3.664 3.253 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1030 ? Heptadecane, 3-methyl- 38.0578 1787.8 7.6 scans 31% TIC 1.7% 0.00759% 5788 1.0 106 32905 540163 508085 1-1 0.800 38.06 448.1 72 95 77 92 225 21.6 4.167 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1028 Contamination 38.59min 38.6198 1795.8 12.9 scans 83% 429 m/z 0.017% 1.21% 5884 3.4 1280 3309933 4.02% 86680754 84604097 285909114 0-1 20: 429 355 341 356 401 325 265 133 206 432 459 191 475 415 326 249 339 279 328 383 0.998 38.59 447.7 80 99 98 99 429 371.4 8.440 0.029 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1018 Neophytadiene 39.8494 1916.5 13.6 scans 95% 68 m/z 0.027% 5.07% 6092 0.2 1409 2121017 360804720 345519851 1-1 20: 68 95 82 123 69 57 55 81 43 67 83 41 97 71 109 96 124 111 79 56 0.999 39.94 547.4 81 100 100 100 278 78.8 0.313 -0.087 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1032 ? Hexahydrofarnesyl acetone 39.9173 1924.9 6.5 scans 56% 58 m/z 0.70% 0.0513% 6103 1.2 218 81929 3655303 3355845 0-2 16: 58 43 71 59 55 109 85 110 95 124 83 70 56 250 96 123 0.928 39.88 556.6 75 96 92 95 250 22.2 1.038 0.034 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1034 ? Phthalic acid, diisobutyl ester 40.3229 1975.2 7.7 scans 50% 149 m/z 0.16% 0.0649% 6172 1.1 205 357972 4616412 4382411 2-2 10: 149 150 223 104 76 167 205 50 224 151 0.924 40.31 600.3 77 98 90 97 223 43.8 4.555 0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N406_R~1-N1110 ?? Phytol 40.3991 1984.6 8.1 scans 9.5% 109 m/z 4.8% 0.00385% 6185 1.0 64 11961 274125 250177 1-1 17: 109 82 81 95 79 138 123 124 96 110 71 67 94 172 80 197 137 0.616 40.66 -32.6 61 70 37 68 278 10.5 2.673 -0.263 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1008 ? Contamination 40.63min 40.5826 2007.4 7.9 scans 18% 221 m/z 1.0% 0.0256% 6216 1.1 127 58110 1826043 1687430 5-5 19: 221 73 147 295 207 281 222 369 296 297 370 282 355 283 267 74 249 208 265 0.743 40.63 627.3 71 95 69 96 369 22.7 3.178 -0.050 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N407_R~1-N1144 ? Sclareoloxide 41.1045 2072.1 8.7 scans 46% 109 m/z (173) 1.8% 0.0600% 6304 0.9 181 31955 4272454 3876649 1-2 19: 109 191 81 262 95 123 177 107 121 137 229 93 135 79 67 149 136 247 91 0.931 41.13 684.3 72 95 90 97 262 35.6 3.872 -0.025 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLANKB1-N1012 Contamination 41.49min 41.4681 2117.2 8.7 scans 76% 205 m/z 0.32% 0.266% 6366 0.6 397 179449 18967083 17656694 3-1 20: 205 57 217 175 189 220 177 232 55 91 41 191 203 192 161 77 233 135 109 206 0.930 41.49 -79.4 85 99 92 99 276 26.1 0.431 -0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N479_R~1-N1174 ?? (E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene 41.6576 2128.8 10.6 scans 46% 69 m/z (113 105) 0.48% 0.101% 6399 0.6 209 119037 7252863 6693246 2-4 10: 69 41 81 67 79 68 107 53 161 134 0.913 41.75 731.3 67 94 88 95 272 8.6 0.000 -0.092 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1258 Diterpene 42.0min 42.0673 2151.8 11.2 scans 89% 93 m/z 0.050% 3.13% 6468 0.4 1206 1155572 223149712 213596421 2-2 20: 93 105 107 119 91 81 121 79 133 229 77 41 55 161 147 67 95 69 109 135 0.962 42.05 1.2 100 99 99 99 272 137.4 1.298 0.022 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1012 ? Contamination 42.37min 42.3099 2165.4 10.7 scans 90% TIC 0.036% 1.06% 6509 0.9 782 1612843 2.49% 75786873 71498876 177092959 2-0 0.990 42.37 756.4 74 91 93 99 503 109.5 1.964 -0.058 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1260 Diterpene 42.4min 42.4032 2170.7 9.3 scans 94% TIC 0.064% 1.58% 6525 0.6 945 903227 112648941 102878055 1-10 0.985 42.40 0.3 100 100 98 100 272 68.0 0.517 0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1248 Diterpene 42.9min RI2199 42.9168 2199.5 22.2 scans 42% TIC 0.20% 0.491% 6612 0.9 484 288607 0.763% 34956082 33108500 54265834 2-0 0.546 42.90 0.8 89 92 50 89 272 65.0 0.000 0.014 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1246 Thunbergen/Cembrene 42.9894 2203.6 >9 scans 82% 134 m/z (82) 0.13% 0.695% 6624 1.3 618 425871 1.62% 49457317 45611730 115217106 0-5 20: 134 119 135 133 272 121 147 159 136 91 93 41 69 55 107 105 145 173 120 95 0.998 42.99 -0.0 97 98 97 98 272 104.7 2.870 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1250 Kaurene 43.2min RI2212 43.1559 2212.9 9.0 scans 74% 135 m/z (274) 0.34% 0.409% 6652 1.2 455 168571 29096884 26049441 2-2 20: 135 94 107 95 272 91 105 134 119 81 93 121 79 41 55 133 69 137 77 67 0.987 43.15 0.1 97 98 99 99 272 82.5 3.290 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1244 Diterpene 43.4min RI2229 43.4516 2229.5 >8 scans 41% TIC 0.94% 0.0584% 6702 0.6 270 61613 4157804 4016979 1-0 0.860 43.44 0.8 85 85 77 96 272 32.2 1.426 0.015 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1262 Diterpene 43.6min 43.5644 2235.8 9.3 scans 76% 79 m/z (145) 0.14% 1.12% 6721 0.6 754 412596 80212873 76720560 1-1 20: 79 81 95 93 135 257 69 109 55 216 121 134 137 67 201 147 133 123 272 53 0.980 43.55 0.6 97 99 96 98 272 85.8 1.295 0.012 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1242 ? Kaur-15-ene, (5?,9?,10?)- 43.6695 2241.7 9.8 scans 15% 133 m/z (159) 2.2% 0.0320% 6739 1.1 128 25481 2276507 2160622 0-1 20: 133 119 92 149 175 190 272 84 200 147 94 69 109 113 228 161 201 71 108 101 0.642 43.66 0.5 73 83 53 80 272 11.1 0.745 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1240 Dervative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.1min 44.0638 2264.1 8.9 scans 79% 191 m/z (162) 0.099% 0.592% 6806 0.7 569 582544 42172189 40127207 2-1 20: 191 109 95 121 135 107 93 91 81 79 69 192 41 55 105 97 77 119 67 80 0.991 44.05 0.6 98 99 99 99 272 50.0 0.773 0.011 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1238 Trachylobane 44.1553 2269.3 8.1 scans 56% 79 m/z 0.84% 0.104% 6822 1.2 278 68450 7442331 6916654 0-2 20: 79 81 95 257 93 135 91 216 109 41 69 107 134 55 272 201 137 77 119 105 0.933 44.15 0.0 93 94 87 93 272 36.6 1.734 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1020 ? Contamination 44.32min 44.2822 2276.6 7.6 scans 19% 221 m/z 1.5% 0.0193% 6843 1.1 116 38201 1376422 1271579 1-2 16: 221 73 147 295 281 207 222 257 296 192 223 355 276 205 177 282 0.560 44.32 829.3 71 98 80 98 369 19.4 2.799 -0.038 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1236 Derivative (7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)methanol 44.6min 44.5502 2292.0 8.5 scans 65% 191 m/z (155) 0.37% 0.137% 6889 1.1 278 155299 9761854 9314128 1-2 18: 191 109 95 121 135 107 81 91 79 192 69 93 41 55 97 77 80 149 0.982 44.55 -0.2 97 100 98 99 272 26.9 0.936 -0.003 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1234 Thunbergol 44.9021 2312.3 >11 scans 59% 43 m/z (286) 0.60% 0.226% 6948 0.9 339 96185 16142774 15263307 2-0 20: 43 81 109 67 107 97 121 229 71 123 69 136 149 55 189 79 108 148 82 68 0.992 44.90 0.1 93 95 94 95 272 23.6 0.487 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N6_REP1-N1180 ? UNK Alkene structure 2 45.0160 2318.8 10.6 scans 81% 105 m/z 0.12% 1.35% 6967 0.5 855 480432 1.62% 96671016 94321520 115217106 6-0 20: 105 91 131 145 119 157 159 134 77 143 129 81 227 147 107 128 132 41 120 55 0.958 44.99 858.4 78 96 93 100 270 121.1 2.004 0.027 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N6_REP1-N1178 ? UNK Alkene structure 45.5066 2347.1 9.0 scans 85% TIC 0.075% 1.02% 7050 0.7 787 766464 1.47% 72875020 70559888 104548855 1-0 0.975 45.47 877.2 76 95 96 98 288 32.0 0.165 0.033 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1232 Hydrocarbon 45.6min RI2350 three ring structure 45.5810 2351.4 >10 scans 73% 191 m/z 0.26% 0.440% 7063 1.0 551 220095 31353227 30109892 0-1 20: 191 107 43 123 95 81 69 79 82 109 125 71 41 67 55 137 93 124 97 136 0.969 45.56 1.0 91 91 91 92 290 40.4 0.536 0.018 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BWA_RE~1-N1006 Contamination 45.78min 45.7752 2362.5 8.0 scans 10% 73 m/z (290) 0.49% 0.0666% 7096 1.0 198 118432 4741973 4314166 3-4 19: 73 355 221 281 356 357 207 222 74 341 429 283 327 415 267 223 430 503 325 0.947 45.78 -0.1 93 97 88 96 503 16.2 0.674 -0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N407_R~1-N1150 ?? UNK 46.46min 46.1902 2386.4 8.5 scans 54% 191 m/z (134) 0.37% 0.0930% 7166 1.1 228 156779 6619132 6065969 1-3 10: 191 137 192 69 109 217 235 177 193 125 0.978 46.47 897.1 66 84 86 96 235 35.5 2.430 -0.275 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1264 Sclareol 46.5min 46.4966 2404.1 11.4 scans 91% TIC 0.029% 2.37% 7218 0.4 1042 1985411 168702603 163000792 1-1 0.984 46.49 0.1 100 99 98 99 290 136.4 1.714 0.002 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1220 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-en-1-ol 46.8685 2425.5 8.7 scans 30% 191 m/z (120) 0.22% 0.194% 7281 1.0 325 259557 13809448 12947535 2-2 4: 191 192 190 275 0.970 46.86 0.6 96 99 96 98 290 40.0 1.515 0.009 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1224 Sclareol 47.35min 47.3573 2453.6 17.5 scans 86% TIC 0.067% 2.05% 7364 0.4 789 857706 146061496 130289511 2-3 0.967 47.36 0.1 100 100 97 100 272 72.7 0.849 0.001 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1226 Sclareol 47.42min 47.4098 2456.6 >5 scans 55% 177 m/z (246) 0.58% 0.0726% 7373 2.9 245 99366 5164240 4682436 0-12 20: 177 195 290 107 95 121 113 71 43 291 91 196 69 125 133 96 99 137 93 139 0.969 47.42 -0.5 92 94 93 95 290 32.0 1.696 -0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BQLD_R~1-N1052 ?? Dodecyl p-hydroxybenzoate 47.5119 2462.5 7.9 scans 12% 138 m/z (237) 6.4% 0.00478% 7390 0.7 54 8955 340356 315506 0-1 5: 138 120 92 139 306 0.767 47.50 949.7 62 93 70 91 168 6.4 1.412 0.008 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN TAB_REP1-N1222 Sclareol 47.9min 47.9435 2487.3 8.6 scans 83% 134 m/z 0.12% 0.495% 7463 1.0 536 468488 0.526% 35244290 32396762 37409999 7-0 20: 134 119 81 84 95 79 43 55 135 191 41 93 109 121 107 91 123 67 105 148 0.933 47.95 -0.3 98 99 93 98 272 53.3 0.990 -0.004 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN N407_R~1-N1154 ? UNK 48.48min 48.4517 2516.6 8.8 scans 71% 148 m/z (237) 0.41% 0.0747% 7549 1.0 202 139559 5314194 4893685 2-2 20: 148 95 149 133 147 108 161 162 69 43 109 41 96 135 178 163 55 67 107 122 0.957 48.48 978.4 76 99 95 98 286 23.1 1.305 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1018 ? Contamination 48.95min 48.9193 2543.5 7.7 scans 30% 73 m/z 2.6% 0.00877% 7628 1.1 77 21978 624300 581248 2-3 19: 73 355 147 221 429 281 430 356 295 207 431 148 223 327 205 325 209 282 208 0.773 48.95 993.1 73 98 75 96 429 20.3 6.989 -0.030 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BMN_RE~1-N1022 ? Contamination 51.86min 51.8296 2710.9 8.1 scans 46% 73 m/z (129) 3.1% 0.0103% 8122 1.3 76 18411 737118 670624 4-4 18: 73 147 221 429 355 281 207 295 341 430 148 222 503 369 283 282 357 327 0.821 51.86 1080.0 70 94 82 93 503 8.8 1.321 -0.028 G:\GCMS data\Nicotiana diversity panel SPME\TAB_REP6.FIN BLKEND~1-N1014 ?? Contamination 45.81min 54.6030 2870.5 9.2 scans 42% 73 m/z 3.6% 0.00714% 8591 1.4 62 15851 508241 462283 2-4 18: 73 221 147 355 281 74 357 356 222 430 341 503 369 429 205 145 295 431 0.640 45.81 1394.0 69 97 66 93 503 7.7 1.549 8.791